#DEFINITION	Reference Metabolome for Calystegia hederacea
#IDENTTFIER	RefMeta-Calystegia hederacea.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Calystegia hederacea
#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 Calystegia hederacea was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63270	100.0
71.63630	59.5
95.40851	53.2
97.09980	50.9
102.13963	60.3
475.61502	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	997.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40711	2.3
69.41138	1.1
78.95895	26.7
84.42947	0.4
96.95996	0.9
96.96928	2.1
106.43980	0.4
122.47855	0.4
146.54031	0.4
152.99574	37.4
171.00623	11.1
195.68552	0.4
227.03204	1.7
245.04269	53.3
246.04665	0.6
249.50677	0.5
253.21696	22.3
254.22046	1.1
278.07135	0.5
421.19901	0.4
446.10913	0.5
481.25650	100.0
482.26050	5.5
734.46393	0.4
768.95074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63311	0.2
78.95900	10.1
95.92567	0.2
96.96002	0.2
96.96958	0.4
106.90909	0.1
122.00114	0.3
140.01186	2.0
152.99556	1.5
171.00594	1.0
179.98450	0.1
196.03799	0.9
214.04840	2.7
261.13721	0.2
261.22067	0.3
279.23254	100.0
280.23605	5.2
433.39420	0.2
476.27777	58.5
477.28162	3.7
532.46271	0.2
867.22015	0.2
906.74231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02944	0.7
71.62725	0.9
78.95894	12.2
83.01390	1.2
96.95993	2.3
98.59512	0.6
107.01369	4.0
121.02943	1.3
125.02413	0.6
133.84267	0.6
135.00871	0.9
140.01184	2.0
143.05011	0.8
147.00873	0.8
151.00351	13.2
152.99550	1.0
158.03648	1.1
161.02431	2.4
163.00380	1.2
169.01544	0.8
171.04468	1.5
175.03926	1.1
178.99911	4.4
183.04507	1.7
186.03201	1.6
189.01884	1.2
191.03551	0.7
191.05580	1.1
192.00558	1.0
196.03711	0.8
199.03996	4.7
201.01913	1.0
203.03535	0.9
211.03983	1.3
214.02702	4.5
214.04851	2.3
215.03513	1.1
216.00632	1.2
217.01498	0.7
227.03488	3.7
241.01375	14.6
242.02162	7.7
243.02904	10.4
245.00861	13.6
245.04617	0.8
255.02991	7.7
256.03748	0.7
270.01654	28.0
271.02435	63.0
272.02924	2.5
273.00336	0.9
273.04303	0.7
282.01724	0.8
283.02454	1.5
298.01141	19.1
299.01917	89.9
299.49042	0.7
300.02670	29.9
301.03455	17.6
311.01981	1.0
313.03555	1.0
340.82840	0.8
342.06497	0.6
347.25858	12.3
348.26221	1.1
349.27414	28.0
350.27713	1.1
417.08331	1.5
445.07684	100.0
446.08282	5.6
447.09225	22.1
448.09686	1.2
544.30469	5.4
546.31860	11.2
547.32092	1.1
649.30249	7.0
650.30609	1.1
792.75934	0.7
795.35626	2.8
846.34552	10.5
847.35144	1.4
992.40259	28.5
993.39795	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	991.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10697	0.1
71.01382	0.4
71.63042	0.2
78.95897	13.9
83.05000	0.2
89.55807	0.1
96.96959	0.4
100.27894	0.2
108.13316	0.1
122.00091	0.4
140.01180	2.2
152.99568	2.3
155.10606	0.1
171.00601	1.7
196.03799	1.3
214.04822	3.5
233.22643	0.4
259.20807	0.7
275.20233	0.6
277.21680	100.0
278.22040	4.7
299.01846	0.3
301.03757	0.1
399.85776	0.1
445.08008	0.3
474.26196	69.0
475.26492	3.9
547.27942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.5
71.01376	8.3
71.63245	0.5
72.99296	0.7
73.02934	1.4
81.03466	0.6
82.39817	0.3
83.01373	0.9
83.04995	0.5
85.02943	1.7
87.00861	1.9
89.02438	6.6
95.01371	0.5
97.02921	1.8
99.00900	0.3
99.08147	1.8
101.02438	7.6
106.15177	0.3
111.04498	0.5
113.02435	3.4
113.09708	1.7
115.22678	0.3
119.03481	1.7
125.02430	3.5
125.09695	0.6
127.07646	0.5
127.11251	1.1
129.09204	3.5
137.02472	0.4
139.11272	1.5
143.03494	1.0
151.11322	0.4
153.12874	0.3
155.10710	0.6
161.04509	1.4
167.10735	0.5
167.14366	0.4
169.12328	1.1
171.10251	8.3
179.05563	1.2
181.12260	2.9
183.10251	0.3
183.13815	1.4
185.11771	1.5
193.12270	0.8
197.11803	5.6
199.13414	3.1
201.11302	1.1
211.13377	9.6
221.06699	0.4
235.08195	4.1
253.09253	0.9
265.21674	0.7
275.20139	1.3
277.21692	21.0
278.22021	1.3
287.07721	1.5
293.21201	8.8
294.21423	0.6
305.08917	1.5
311.22241	100.0
312.22568	4.2
323.09601	0.5
397.13458	39.7
398.13620	1.7
415.14532	12.6
416.14914	0.6
675.35730	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	985.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.5
69.48342	2.3
69.98435	0.3
71.01380	3.4
72.99320	0.3
73.02953	0.6
82.21075	0.3
83.01385	0.6
83.05027	0.5
85.02950	0.9
87.00875	1.1
89.02436	3.2
95.05010	0.4
97.02956	1.1
99.00883	0.4
101.02457	3.1
111.08144	1.1
113.02425	1.7
119.03485	0.9
123.08139	0.4
125.02424	1.3
125.09707	1.1
127.11294	0.9
137.09712	0.6
141.09187	0.5
143.03461	0.5
151.07629	1.0
151.11220	0.7
152.08464	0.5
153.09204	0.7
153.12866	2.7
155.10753	0.9
161.04556	0.7
165.12779	0.6
167.10733	0.9
169.12326	0.5
179.05615	0.4
179.10808	0.6
179.14384	1.4
180.09398	0.3
181.12343	2.2
193.15929	0.9
197.11780	1.6
199.09798	0.7
199.13292	0.8
201.11264	0.7
207.13870	1.3
209.15417	1.2
215.12825	0.8
227.12723	0.6
235.08182	1.5
247.20700	3.2
263.20087	0.7
265.21716	0.9
273.18591	1.9
277.21692	7.6
278.22067	0.7
281.21167	1.0
287.07584	0.6
291.19638	22.4
292.19910	1.0
305.08774	0.7
307.19147	0.8
308.19302	0.9
309.20676	100.0
310.17609	0.3
310.21005	5.0
397.13458	16.1
398.13849	1.3
415.14438	4.7
420.90448	0.4
675.35822	0.7
985.50043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.6
69.03437	2.2
69.22157	0.4
71.01379	22.6
72.99286	1.9
73.02940	7.2
78.95932	0.5
81.03454	1.0
83.01374	4.5
83.05017	0.7
84.02145	0.5
85.02946	10.7
85.06593	1.4
86.00066	0.6
87.00864	7.2
89.02437	5.8
91.19173	0.5
93.03458	1.1
95.01373	1.6
96.88018	0.5
96.96047	2.6
97.02923	3.4
99.00848	2.5
99.04512	6.9
101.01777	0.9
101.02433	15.1
103.03999	1.2
109.02911	1.0
111.00844	1.0
113.02443	6.4
115.03964	0.6
119.03489	1.6
125.02422	5.5
127.04013	1.9
131.03497	1.0
137.02429	0.5
137.48213	0.5
143.03468	1.6
145.04980	0.5
161.04529	1.5
163.06093	1.0
173.04517	1.2
191.05577	3.2
197.27271	0.5
205.07037	0.5
223.20685	0.5
239.20190	0.9
241.21695	1.1
269.21259	2.7
287.22226	3.6
288.25119	0.5
345.18057	0.6
413.25055	0.9
431.26404	13.4
432.26797	1.0
449.27618	1.4
577.32007	6.6
595.33112	3.8
721.37164	0.9
739.37665	3.8
757.38330	1.4
867.42499	3.6
885.43359	3.0
985.48523	100.0
986.48859	14.1
1017.59491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.5
69.03441	1.7
69.26028	2.7
69.26428	0.7
71.01376	23.7
72.99303	1.3
73.02940	7.5
75.00846	0.4
81.03450	1.1
83.01383	6.9
83.05011	0.8
85.02946	14.7
86.00087	0.7
87.00871	8.8
87.04503	0.6
89.02435	4.6
93.03454	0.5
94.11207	0.3
95.01366	1.9
96.95991	0.6
97.02949	2.5
97.15916	0.2
99.00867	3.0
99.04507	16.2
101.02431	18.4
103.03969	1.5
107.78778	0.2
109.02906	0.7
111.00861	0.9
111.04504	0.3
113.02437	9.2
115.03983	0.6
119.03480	1.5
121.02887	0.4
123.00769	0.3
123.04420	0.3
124.01628	0.3
125.02435	5.9
127.04007	2.4
129.01962	0.5
131.03479	1.6
135.04517	0.3
137.02296	0.3
139.03966	0.4
141.05579	0.4
143.01091	0.3
143.03467	2.5
145.05052	0.7
155.03487	0.3
159.02953	1.3
161.04509	4.1
163.06088	0.9
173.04558	0.5
187.73669	0.3
191.05629	0.9
201.23274	0.3
205.07173	0.5
211.98268	0.3
221.06573	0.3
227.20157	0.7
247.08098	0.5
264.22507	0.3
269.21161	0.4
296.77090	0.3
389.25381	4.9
467.59192	0.3
535.30780	1.7
577.00726	0.3
577.32172	0.6
679.35834	0.4
697.36621	1.3
738.82373	0.3
824.14630	0.4
825.41553	1.4
843.42334	0.5
867.43091	0.4
885.42255	0.7
967.47058	1.3
985.48492	100.0
986.48834	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	985.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.3
69.03458	1.9
71.01377	21.3
72.99303	1.3
73.02942	8.0
75.00877	0.4
81.03474	1.5
83.01389	7.3
83.05043	0.3
85.02946	14.8
85.06567	0.3
86.00079	1.0
86.03219	0.3
87.00872	8.8
87.04508	0.6
89.02434	5.0
93.03432	0.5
95.01397	2.4
96.95996	0.7
97.02940	3.6
98.19823	0.6
99.00867	3.6
99.04513	14.4
101.02438	17.2
103.03991	1.3
109.02921	0.8
111.00854	1.1
111.04474	0.5
112.01652	0.3
113.02442	9.5
114.02737	0.3
115.03990	0.6
119.03484	1.2
123.04482	0.3
125.02429	5.3
127.04005	1.9
129.01936	0.4
131.03481	1.2
141.01895	0.3
143.03467	1.7
145.05026	0.6
159.02953	1.4
161.04549	3.6
163.06061	0.8
173.04485	0.4
179.05589	0.3
191.05557	1.2
205.07225	0.4
227.20219	0.7
229.18803	0.4
229.69572	0.3
247.08333	0.3
294.55878	0.3
340.93277	0.3
357.41861	0.3
360.40750	0.3
371.24011	0.4
387.27383	0.4
389.25470	4.8
390.25735	0.4
535.31183	1.6
577.32391	0.5
697.36224	1.0
825.41351	1.1
885.43121	1.0
967.46820	1.2
985.48517	100.0
986.48816	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	981.193
Annotation	Unknow
Peak:m/z	Relative Intensity
72.20071	0.3
73.02942	1.1
83.01373	0.6
85.02954	0.8
86.84700	0.3
89.02432	1.1
93.03443	1.1
96.95988	0.5
98.20667	0.7
99.00863	1.5
101.02403	1.2
107.01387	1.8
108.02189	0.5
109.02925	0.9
113.02390	0.8
118.98055	0.4
121.02901	0.5
132.02127	0.8
135.00839	0.7
149.04509	0.4
151.00349	5.5
152.03442	0.5
160.33827	0.4
161.04527	0.4
163.00342	2.2
173.04549	1.2
178.99846	2.0
183.04465	0.7
185.06039	0.4
187.03954	1.3
191.05634	2.4
211.03920	1.3
213.05460	0.6
227.03474	15.1
228.03932	1.2
229.05013	2.7
239.03659	0.5
240.04207	0.4
242.06178	0.4
243.03003	2.4
245.04541	0.7
254.02415	0.5
255.02951	43.9
256.03497	3.8
257.04520	1.4
271.02438	10.1
272.02667	0.9
283.02460	0.9
284.03223	75.8
285.03958	24.3
286.04282	1.0
300.02719	20.5
301.03497	14.2
302.03839	0.7
347.73944	0.4
400.88791	0.5
412.22876	0.4
429.21255	0.5
435.18607	3.4
447.09271	27.7
448.09558	2.2
489.10321	100.0
490.10727	8.4
533.22089	1.2
758.58435	0.5
793.39203	0.4
821.37219	0.4
1019.04218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.1
71.01380	18.1
71.62995	1.1
73.02942	2.8
80.16225	0.7
81.03447	0.7
83.01389	2.2
83.05707	0.8
85.02954	5.3
87.00855	3.4
89.01909	1.1
89.02446	16.5
95.01365	1.2
96.96040	1.0
97.02946	3.3
99.00867	0.8
101.02436	14.0
108.78990	0.7
113.02441	7.2
119.03481	4.3
125.02455	6.0
143.03479	2.7
161.04544	2.9
171.10303	1.2
175.19554	0.9
179.05608	4.0
179.14444	0.9
182.17714	0.7
195.13887	8.2
196.14603	1.2
205.12367	1.1
221.06682	1.7
223.13408	6.0
228.13657	0.9
235.08165	7.7
243.56729	0.7
253.09441	1.3
256.13068	1.6
275.20145	6.5
279.23276	49.8
280.23663	3.1
287.07721	3.5
293.21210	100.0
294.21500	3.9
305.08905	3.9
397.13470	86.6
398.13934	5.3
415.14523	27.0
416.14969	1.4
561.49060	0.8
677.37408	4.3
683.27771	0.8
813.25299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.6
71.01376	26.6
71.63709	0.6
72.59808	0.5
72.99319	2.6
73.02943	8.3
81.03440	2.1
83.01377	9.4
83.05048	0.6
85.02943	16.3
86.00076	0.9
87.00879	9.4
89.02438	7.1
89.08334	0.6
93.03471	1.1
94.21999	0.5
95.01385	2.1
96.96006	2.0
97.02947	4.0
99.00863	3.4
99.04508	16.3
101.02436	21.9
103.03998	1.5
109.02947	0.7
111.00838	0.9
113.02452	10.9
113.06093	0.7
114.02753	0.6
115.04051	0.6
119.03475	1.7
125.02445	6.4
127.04028	2.7
131.03487	1.3
137.02448	0.6
141.01813	0.8
143.03465	2.1
145.05077	0.7
147.75383	0.6
159.02916	1.4
161.04523	4.7
163.06143	1.2
169.52939	0.6
173.04581	0.9
191.05609	3.0
205.07050	0.7
209.11855	0.9
213.18526	0.6
221.06578	0.9
247.34633	0.6
286.24884	0.7
327.21811	1.9
375.23746	5.9
397.13358	0.6
404.81534	0.6
432.12769	0.6
521.29608	1.6
683.34814	1.3
725.37183	0.6
811.39825	1.0
819.54376	0.7
953.47223	1.4
971.46924	100.0
972.47333	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	971.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.7
71.01374	25.5
71.05016	1.0
72.99293	2.3
73.02947	9.5
78.95898	1.3
81.03429	1.8
83.01383	7.6
85.02945	14.7
87.00874	8.7
87.04532	0.8
89.02437	6.2
93.03444	2.1
95.01369	2.5
96.95981	2.5
97.02950	3.6
99.00863	2.7
99.04514	9.8
99.08139	0.7
101.02438	16.5
103.03993	1.8
109.02894	0.8
111.00900	0.6
113.02444	8.2
117.04118	0.6
119.03490	1.6
123.80509	0.8
124.01605	0.7
125.02427	5.6
127.03994	2.1
129.01955	0.9
131.03485	1.2
135.04488	1.2
139.03966	0.7
140.56729	0.6
141.01865	0.7
143.03484	1.6
145.05016	1.1
152.99594	1.5
156.85431	0.7
159.03036	0.8
161.04517	2.8
163.06143	0.7
165.62128	0.6
173.04568	1.6
182.10736	0.6
191.05577	3.8
196.73650	0.7
205.07159	0.8
209.19170	1.2
225.18576	1.0
227.20319	0.9
255.19630	2.7
256.96173	0.6
265.76651	0.6
271.19394	0.6
273.20694	3.7
366.10272	0.8
368.81216	0.7
399.23648	1.3
417.24854	16.0
418.25131	0.9
435.26117	1.3
491.56219	0.8
497.25195	0.9
563.30756	6.0
564.31317	0.8
581.31732	2.8
707.35461	1.1
725.35968	2.6
743.38214	0.9
853.40613	3.8
871.41742	2.7
953.45441	0.9
971.46960	100.0
972.47223	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	971.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	2.2
71.01378	26.0
71.30102	0.5
71.63823	0.7
72.99310	2.3
73.02943	8.3
81.03446	1.7
83.01379	6.8
84.84307	0.5
85.02948	14.8
87.00877	9.2
87.82166	0.5
88.01266	0.4
89.02440	6.2
90.00226	0.5
93.03447	1.3
95.01395	2.4
96.95992	1.9
97.02951	4.1
99.00896	4.2
99.04511	16.5
101.02438	20.4
103.03999	1.8
109.02948	0.8
111.00838	0.8
111.04529	0.8
113.02441	10.7
114.21645	0.5
115.04044	0.7
116.04324	0.6
119.03517	1.7
125.02438	6.7
125.13016	0.5
127.04011	2.1
131.03510	1.3
143.03519	2.4
145.05061	0.9
159.02965	1.4
159.04279	0.6
161.04570	3.6
163.06087	0.7
173.04562	1.5
191.05579	2.4
213.18634	0.7
221.06532	0.5
228.52811	0.5
255.19632	0.6
375.23819	6.8
521.29382	1.5
561.59338	0.5
629.74579	0.6
683.34528	1.3
712.03540	0.5
811.40479	1.1
871.41998	1.3
913.71167	0.6
953.46301	1.4
971.46991	100.0
972.47266	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	967.454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30269	6.5
71.01378	43.6
72.01685	0.8
72.99296	3.2
73.02586	0.9
73.02940	10.7
75.00845	0.9
81.07050	0.6
83.01390	4.4
85.02946	16.3
87.00866	3.2
89.02441	30.3
95.01386	3.3
96.96003	7.0
97.02949	0.8
98.95607	1.6
99.00871	3.5
101.02440	32.9
107.51867	0.7
113.02444	17.1
119.03496	11.8
124.72471	0.6
125.02444	1.4
131.03499	1.6
143.03467	4.8
149.04520	2.8
161.04549	8.5
164.38927	0.6
173.04515	1.0
179.05576	2.7
180.51355	0.7
191.05614	1.9
207.37410	0.7
209.11775	2.5
217.15912	2.5
221.06616	1.2
221.64091	0.6
256.29950	0.7
277.18091	0.9
327.21854	1.3
341.23154	0.6
379.21149	5.0
395.15842	0.6
397.22263	42.0
398.22647	2.4
439.23315	100.0
440.23666	7.0
483.22421	5.3
663.26489	0.8
877.75867	0.7
968.40369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59473	1.8
70.38577	0.3
71.01377	0.5
83.01372	0.7
89.02452	0.3
93.03421	0.5
96.95976	0.3
101.02422	0.4
107.01376	1.5
108.02165	0.6
109.02938	0.5
116.39455	0.3
121.02956	0.6
123.24141	0.3
135.00853	0.4
148.01700	0.8
151.00336	6.6
163.00343	1.2
169.01430	0.4
173.04556	0.4
178.99786	2.9
191.05588	1.0
192.00676	0.4
204.98993	0.3
211.03864	0.4
215.03548	0.4
226.02737	0.7
227.03421	1.2
243.02956	4.8
245.04398	0.5
254.02156	1.3
255.02950	15.0
256.03296	0.8
271.02438	32.4
272.03003	2.2
273.03830	0.6
275.55054	0.4
283.02454	0.4
284.03192	0.5
299.01935	0.9
300.02713	66.6
301.03421	18.1
302.03815	0.9
339.13986	0.3
343.04245	0.5
399.16504	0.7
469.02850	0.4
539.97455	0.3
540.25629	0.3
609.14514	100.0
610.14813	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	965.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59473	1.8
70.38577	0.3
71.01377	0.5
83.01372	0.7
89.02452	0.3
93.03421	0.5
96.95976	0.3
101.02422	0.4
107.01376	1.5
108.02165	0.6
109.02938	0.5
116.39455	0.3
121.02956	0.6
123.24141	0.3
135.00853	0.4
148.01700	0.8
151.00336	6.6
163.00343	1.2
169.01430	0.4
173.04556	0.4
178.99786	2.9
191.05588	1.0
192.00676	0.4
204.98993	0.3
211.03864	0.4
215.03548	0.4
226.02737	0.7
227.03421	1.2
243.02956	4.8
245.04398	0.5
254.02156	1.3
255.02950	15.0
256.03296	0.8
271.02438	32.4
272.03003	2.2
273.03830	0.6
275.55054	0.4
283.02454	0.4
284.03192	0.5
299.01935	0.9
300.02713	66.6
301.03421	18.1
302.03815	0.9
339.13986	0.3
343.04245	0.5
399.16504	0.7
469.02850	0.4
539.97455	0.3
540.25629	0.3
609.14514	100.0
610.14813	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	959.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.9
71.01373	83.0
72.99308	3.9
73.02939	38.2
77.63278	1.4
83.01396	7.2
85.02940	29.3
87.00872	2.4
89.02434	75.3
93.03481	1.3
95.01395	7.7
97.02952	1.5
99.00869	57.4
101.02431	41.3
101.03075	2.5
102.02750	1.4
105.49435	1.2
113.02440	45.4
119.03489	7.1
125.02402	1.7
131.03487	14.0
133.02948	3.8
143.03505	6.7
149.04533	100.0
161.04552	26.8
173.04474	4.3
177.01910	3.6
179.05580	4.9
191.05589	34.4
193.16185	1.5
203.05592	12.0
209.15526	3.1
221.06651	2.4
229.28963	1.6
231.07747	1.4
233.06636	43.3
271.02365	5.3
293.08774	28.5
300.02728	3.4
301.03455	2.5
311.09772	10.3
340.17838	1.6
371.20755	10.6
413.21744	40.0
414.22064	3.5
435.18417	3.3
445.07639	1.8
447.09283	5.4
455.23123	3.2
456.23169	6.3
457.16815	4.2
457.23877	6.7
748.84387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	10.6
73.02940	4.8
78.95874	5.2
83.05009	6.1
89.02433	14.3
89.42854	4.7
96.96018	8.9
101.02444	14.6
109.86013	4.5
116.92886	7.1
132.82928	4.8
179.05615	5.4
209.11800	100.0
227.12848	18.6
259.99957	4.5
277.21695	46.0
300.24829	6.0
350.17368	5.6
379.12292	24.4
397.13388	65.9
415.14737	7.9
507.75516	5.4
589.24933	14.0
607.26019	17.9
675.35480	8.4
867.47650	7.4
953.48926	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	0.3
71.63727	0.3
73.02963	0.3
74.06229	0.1
74.28204	0.1
74.58302	0.2
80.96535	0.3
82.96051	0.2
83.01384	0.7
85.02935	0.4
85.60090	0.2
91.01875	0.4
92.05700	0.2
93.03467	0.3
101.02389	0.3
107.01380	2.5
108.02154	0.7
109.02943	1.4
119.01421	0.2
121.02940	1.8
124.01571	0.2
125.02399	0.2
128.23537	0.1
130.08693	0.2
134.20863	0.2
135.00853	0.6
135.04465	0.1
139.04022	0.2
148.01648	0.7
149.02434	0.5
151.00366	9.4
152.00702	0.3
154.64389	0.1
163.00363	2.1
164.01117	0.3
169.01352	0.4
173.04587	0.4
175.03966	0.3
178.99847	4.6
180.00224	0.2
183.04509	0.2
187.03975	0.4
190.99887	0.3
191.05554	0.8
192.00597	0.2
199.03978	0.3
201.05482	0.5
203.03523	0.2
211.04024	0.9
215.03468	0.3
226.02740	0.5
227.03452	2.1
229.05022	0.7
239.03493	0.5
243.02950	3.9
244.03352	0.4
245.04515	1.2
248.15454	0.2
254.02156	0.9
255.02957	12.9
256.03519	0.6
271.02457	25.2
272.02856	2.1
273.04001	1.1
283.02451	1.5
284.03226	0.3
299.01987	0.6
300.02722	56.2
301.03476	42.3
302.03830	1.8
345.19458	0.2
445.07602	0.3
447.09274	100.0
448.09586	7.0
448.15854	0.3
449.09647	0.3
454.86694	0.2
499.18622	0.2
500.18576	0.2
500.25439	0.2
501.16574	0.8
501.26889	0.3
657.74176	0.2
761.63373	0.2
784.27679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33968	57.6
69.34402	67.2
71.01376	19.9
71.83858	15.1
77.61735	16.9
101.02390	24.0
143.56320	14.3
183.40372	15.9
187.26436	16.1
191.05617	15.2
197.12048	17.3
209.11829	100.0
210.12140	37.7
227.12946	16.9
264.76672	13.7
277.21613	31.4
278.21976	21.4
351.10663	14.8
397.13254	23.5
398.13489	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	943.49
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46777	5.9
69.47195	10.1
71.01384	27.4
73.02947	5.1
81.03429	3.8
83.01369	4.0
83.05009	3.0
85.02930	9.6
87.00864	5.4
89.02444	20.1
97.02949	15.3
98.19884	5.1
99.00871	2.9
101.02436	18.2
101.06094	3.1
109.06574	34.3
110.03767	2.2
113.02441	12.3
119.03487	5.9
121.06556	3.3
125.02408	8.9
127.61579	2.3
135.08150	3.0
139.22235	2.1
140.14586	2.6
142.02739	3.7
143.03473	3.2
161.04529	3.8
163.11263	22.1
165.09317	2.1
179.05556	6.1
181.12370	6.2
207.10236	100.0
208.10509	4.1
209.11865	2.7
221.06601	2.2
225.11266	38.2
235.08121	5.4
245.12094	2.5
277.21683	75.0
278.22046	5.7
305.08655	2.6
379.12305	8.9
397.13467	60.6
398.13638	3.9
415.14365	16.9
587.23682	4.1
605.24628	6.5
623.25671	3.9
657.35864	3.8
675.35504	4.4
865.46234	4.2
883.46777	72.8
884.47076	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	943.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	23.2
71.63315	1.9
71.63724	2.3
72.99306	2.2
73.02947	4.8
81.03448	3.4
83.01386	2.6
83.05008	3.7
85.02950	5.9
86.05663	1.7
87.00861	5.6
89.02429	16.9
95.01407	2.4
97.02943	11.6
99.00845	2.1
99.04509	1.9
101.02431	14.9
101.06071	4.4
107.12718	1.5
109.06576	34.9
113.02426	8.1
119.03458	4.2
121.06568	1.8
125.02428	7.9
126.63141	1.4
135.08157	4.9
143.03494	3.6
161.04573	4.0
163.11267	20.9
179.05609	5.6
181.12312	4.1
189.09187	3.5
207.10231	100.0
208.10606	2.7
209.11740	2.6
221.06673	2.2
225.11305	40.7
235.08162	5.6
243.12375	2.7
277.21683	52.3
278.22046	3.1
287.07687	1.9
293.91251	1.4
379.12494	8.4
386.95493	1.6
397.13437	45.5
398.13998	2.1
415.14557	12.0
429.19104	1.5
571.82452	1.5
587.23352	2.5
605.24579	10.3
623.25372	9.9
737.65997	1.8
761.59155	1.7
865.45233	3.4
883.46796	70.2
884.47888	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	939.641
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23158	0.6
67.01879	0.7
69.35299	1.2
69.35703	4.1
71.01367	1.8
83.05044	0.9
84.12077	0.6
85.02921	1.0
87.00873	1.4
93.03454	5.1
96.96007	4.9
98.20597	1.1
111.04501	0.8
135.04520	0.9
173.04517	5.9
177.01875	0.8
191.05595	7.7
219.82458	0.6
225.16057	0.6
330.85754	0.6
376.99878	0.7
393.15448	0.6
449.14456	2.4
451.32925	1.3
467.15442	1.4
764.38391	2.3
793.51233	0.8
869.87195	0.7
903.66272	1.9
939.64124	100.0
940.64270	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	935.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	9.3
71.63112	1.7
73.02925	2.1
81.03401	1.9
83.01325	2.7
83.05003	3.6
85.02930	3.3
87.00832	2.5
89.02429	5.9
93.03448	6.4
96.95510	2.0
96.96014	19.8
99.00802	2.1
99.19961	1.6
101.02436	6.6
111.04501	2.0
113.02424	4.8
114.83289	1.6
119.03427	2.0
125.02422	2.5
135.04451	1.6
152.31190	1.6
158.48492	1.6
163.11195	2.3
173.04543	9.0
190.60698	1.8
191.05595	15.2
209.11801	100.0
210.12152	4.1
221.06589	1.8
227.12848	28.1
327.21646	3.1
379.12399	11.4
397.13480	30.9
415.14505	4.7
449.14529	2.7
589.24969	16.6
607.26117	20.7
799.38019	11.0
800.37823	3.3
817.37372	2.4
835.39587	6.6
935.42334	47.5
936.42847	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	931.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.6
83.01392	0.5
85.02995	0.4
90.82777	0.4
92.89532	0.5
93.03442	0.6
98.20676	0.7
107.01384	1.6
109.02937	1.2
121.02916	1.2
148.01631	0.5
151.00346	7.3
151.82095	0.5
163.00348	1.9
173.04556	1.1
178.99826	3.8
189.05396	0.4
191.05568	1.7
201.05382	0.4
206.40799	0.4
211.03969	0.8
218.37318	0.4
227.03502	1.5
229.05031	0.8
243.02922	2.7
245.04459	1.0
254.02170	0.7
255.02957	10.1
256.03305	0.4
258.14371	0.4
271.02454	20.7
272.02933	1.8
283.02396	1.0
299.01984	0.6
300.02728	46.0
301.03482	37.5
301.08447	0.6
302.03873	2.0
447.09268	100.0
448.09604	10.1
449.09915	0.6
483.14594	0.5
599.99298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.7
69.99348	1.1
78.27225	0.2
83.01409	0.4
87.00082	0.2
93.03434	0.3
96.34904	0.2
96.95985	0.3
107.01381	1.7
108.02173	0.7
109.02924	0.7
121.02966	1.2
131.07729	0.2
135.00850	0.4
141.31650	0.2
148.01619	0.9
151.00363	6.5
163.00381	1.6
164.01129	0.4
173.04510	0.4
178.99854	3.3
187.03862	0.3
190.99834	0.3
191.05533	0.6
199.04025	0.3
211.03952	0.5
212.98228	0.2
215.03558	0.3
216.04214	0.4
224.61398	0.3
226.02681	1.0
227.03438	1.7
227.12851	0.2
229.05051	0.3
243.02934	6.0
244.03432	0.5
245.04515	0.7
254.02258	1.5
255.02965	15.5
256.03448	0.7
271.02448	34.3
272.02933	2.7
273.03934	0.7
283.02509	0.8
287.15048	0.5
288.15195	0.3
299.02051	0.6
300.02722	69.6
301.03455	27.1
302.03900	1.5
313.10358	0.2
423.65210	0.3
461.20142	0.7
462.20862	0.5
463.08774	100.0
464.09106	7.8
464.15710	0.4
742.60968	0.3
771.44269	0.2
905.71216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
107.80238	73.8
125.57143	69.0
143.55179	68.8
149.77002	68.8
151.92033	67.2
209.11758	100.0
229.65456	84.7
255.23241	73.1
369.11658	72.2
674.77014	75.1
687.92236	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06474	0.4
67.01891	0.6
69.03456	0.6
71.01378	11.4
72.99297	0.9
73.02945	5.3
79.98913	0.4
81.03436	0.4
83.01391	2.1
85.02946	4.3
87.00862	1.5
89.02445	3.1
92.05059	0.9
93.03444	4.5
94.06617	2.5
95.01363	1.0
96.95995	1.2
99.00867	3.8
101.02428	9.5
104.05058	1.8
105.03441	1.7
106.06617	8.3
107.10568	0.5
108.04546	1.0
111.00869	0.6
111.04518	0.8
112.01687	0.7
113.02438	6.4
119.03544	0.8
120.04546	4.0
121.05335	0.7
122.06113	10.2
123.03254	1.7
124.07668	0.5
125.02461	0.9
131.03551	0.5
132.04538	4.2
133.02971	0.5
134.03714	0.9
135.04474	0.7
137.02443	0.9
138.05594	15.7
143.03493	0.9
148.04062	0.7
149.04536	1.1
150.05582	1.9
159.02971	0.9
161.04546	5.6
173.04515	7.7
189.07970	1.0
191.05602	4.0
202.12308	0.9
209.15456	3.0
215.11897	1.0
217.07385	1.3
229.09952	0.6
230.48100	0.6
231.11266	1.0
241.09731	2.6
243.11311	1.7
259.10660	0.6
271.10934	0.8
289.11908	56.0
290.12341	3.4
333.10867	35.9
334.11172	1.8
353.19614	1.6
371.20660	4.2
413.21646	2.7
449.14304	1.0
451.85162	0.5
461.10718	0.8
467.15591	4.0
485.23920	1.5
503.25003	8.9
504.25522	0.9
545.25970	100.0
546.26343	10.2
602.10791	0.5
923.35870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	16.3
71.20183	8.1
82.65356	5.2
82.95409	9.5
85.02930	5.3
88.98764	8.7
89.02435	16.8
96.95982	28.0
101.02439	19.0
101.06055	7.5
109.06585	22.5
113.02391	5.9
143.03458	7.4
163.11221	7.7
179.05566	10.4
201.11365	6.0
207.10263	77.2
209.11967	10.9
225.11256	41.5
232.45238	5.5
235.08162	7.7
259.73325	5.6
277.21695	49.2
305.56348	5.6
379.12387	19.4
397.13477	55.7
415.14551	18.6
587.23236	10.7
605.24585	25.2
607.23376	5.6
623.25433	17.4
659.99652	5.6
865.46515	6.5
883.46722	100.0
884.47339	16.9
919.44989	58.5
953.57983	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	919.446
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	30.8
71.62759	10.1
71.63155	10.6
73.02947	9.0
75.54507	8.0
80.96542	8.1
85.02954	9.2
87.00899	7.8
88.98798	15.2
89.02454	24.7
94.98052	7.5
96.95990	47.6
97.02895	10.6
101.02438	20.9
101.06067	18.0
109.06561	14.7
110.77628	7.6
125.02402	9.8
154.21487	8.2
163.11246	22.8
199.27922	9.1
201.11293	24.0
207.10303	75.5
209.11832	20.9
225.11253	51.8
235.08252	14.2
255.23218	15.3
257.92596	8.4
277.21744	56.7
281.29401	8.1
305.08701	10.8
379.12494	16.4
397.13495	93.8
415.14462	25.7
605.24481	10.8
675.35669	12.2
859.47113	19.0
883.47229	100.0
884.47186	17.2
919.45599	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	915.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	9.7
69.03450	4.3
69.25685	11.7
69.26102	3.0
71.01382	27.2
72.99298	2.4
73.02927	5.1
81.03453	3.6
83.01359	2.0
83.05009	4.6
85.02945	21.1
87.00871	8.9
89.02440	4.0
90.78655	1.5
93.03455	87.2
94.03780	3.5
95.01391	1.4
96.96002	14.4
97.02901	1.9
99.04497	1.9
101.02423	7.8
109.02951	3.5
111.00870	4.1
111.04521	15.6
113.02431	5.7
115.03989	2.0
125.02396	1.8
127.03986	4.4
133.03030	1.7
135.04497	6.6
137.02441	14.4
137.06036	1.8
151.00333	2.2
155.03462	14.1
173.04535	100.0
174.04825	2.8
178.02605	1.8
179.03514	1.8
181.04945	2.3
189.05595	1.7
191.05603	74.4
191.07336	3.7
192.05890	2.9
269.21167	4.8
271.02347	3.2
278.77460	1.5
287.22235	23.1
300.02652	5.7
301.03452	3.6
340.19858	1.6
369.13522	1.5
415.26816	4.9
433.28036	25.1
434.28149	2.8
447.09296	8.0
449.14813	2.7
463.10941	4.3
467.15387	3.9
488.63351	1.5
531.15942	1.7
577.31940	2.9
580.16577	1.6
595.33173	13.3
658.61285	1.5
705.21619	2.2
723.23315	4.0
741.39075	42.7
742.39795	4.8
769.94104	1.6
811.42780	1.8
897.27960	4.6
915.30164	4.7
915.44501	96.5
916.29352	2.2
916.45215	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	915.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.3
71.01365	0.3
71.63020	0.4
73.02930	0.3
83.01364	0.3
84.31035	0.2
85.02941	0.3
85.03813	0.2
85.24371	0.2
87.00051	0.2
87.15099	0.2
93.03444	0.9
107.01385	1.1
109.02949	0.6
125.02406	0.4
135.00887	0.3
137.02437	0.2
148.01729	0.3
149.02376	0.3
151.00371	4.0
161.02377	0.3
163.00363	1.2
164.01085	0.3
173.04538	1.5
174.03294	0.4
174.04871	0.3
178.99854	2.1
191.05569	2.8
192.05965	0.3
215.03450	0.5
216.04243	0.5
226.02692	2.9
227.03413	0.9
231.42232	0.3
243.02959	6.9
244.03366	0.5
254.02167	3.3
255.02943	5.4
271.02441	34.7
272.02899	3.6
300.02710	49.9
301.03403	14.2
302.03650	1.0
343.04504	0.4
407.19199	0.5
446.99030	0.3
449.14471	0.3
451.08615	0.5
451.29163	0.4
463.08752	100.0
464.09073	8.3
465.09375	0.9
614.42908	0.3
869.37952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.7
67.01888	1.6
69.03456	0.7
70.30518	0.6
71.01366	1.1
72.99299	0.7
73.02925	0.2
81.03445	0.6
82.42012	0.2
83.01371	1.0
83.05049	0.5
85.02946	5.0
87.00867	1.6
93.03452	13.0
97.73808	0.3
98.19916	0.3
103.57400	0.3
107.01392	2.2
108.02163	0.9
109.02940	3.1
111.00877	0.3
111.04517	1.9
113.02445	0.3
118.74069	0.2
121.02924	2.1
129.01978	0.7
133.02945	0.7
134.03732	4.7
135.00879	0.5
135.04515	1.8
136.01630	1.1
137.02451	2.8
139.03983	0.4
147.02986	0.4
148.01653	0.7
149.02434	0.6
151.00362	9.1
151.04033	1.4
152.00691	0.3
155.03488	1.0
159.04472	0.4
163.00337	2.6
164.01099	0.5
169.01537	0.3
171.03000	0.4
173.04530	19.8
174.04868	0.5
175.03886	0.3
177.01888	0.6
178.02666	1.3
178.99852	4.4
179.03392	0.4
183.04469	0.5
187.03949	0.3
189.05435	0.3
191.01991	2.8
191.05591	12.7
195.02927	0.5
199.03952	0.4
201.05482	0.4
203.03612	0.4
209.02896	0.4
211.03992	0.9
215.03577	0.6
226.02669	0.8
227.03397	1.7
227.12900	0.3
229.05075	0.6
231.10265	0.9
239.03477	0.4
243.02959	4.4
245.04562	1.4
254.02100	1.3
255.02957	14.1
256.03409	1.0
257.08139	0.6
271.02444	26.9
272.02896	2.0
273.03958	1.0
275.09128	0.8
283.02438	1.2
293.07321	0.5
293.10324	4.6
294.10425	0.3
299.02054	0.7
300.02728	55.2
301.03488	41.9
302.03726	2.2
302.32278	0.3
370.09045	0.3
398.86932	0.3
437.14249	0.5
447.09280	100.0
448.09616	9.2
449.14569	2.2
467.15616	21.4
468.16013	1.7
582.97992	0.3
722.38263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02385	6.1
63.25857	1.8
65.00333	10.8
65.00615	1.8
69.37785	6.8
69.38209	9.7
71.01395	9.3
73.02927	4.9
79.69934	1.9
80.62392	1.7
82.29912	1.8
83.01353	9.5
85.02937	5.6
89.02414	2.6
93.03442	3.4
95.01371	3.5
96.95995	4.2
98.20652	4.1
99.00882	2.7
101.02430	14.7
107.01386	23.0
109.02959	5.6
113.02422	2.6
121.02941	6.4
124.01606	5.8
125.02397	5.3
137.74176	1.8
138.01924	6.2
140.76651	1.9
148.01646	3.5
149.02390	6.3
150.99142	4.0
151.00360	77.1
152.01129	22.6
153.01926	5.4
161.02414	3.8
161.04576	3.8
162.05025	1.7
163.00327	4.6
167.79858	1.8
169.01404	9.0
171.00781	1.9
173.04538	5.2
175.00380	3.9
175.03972	4.1
178.99844	82.9
180.00212	3.3
191.05605	10.3
192.00613	7.1
193.01367	14.0
199.04056	2.5
203.03419	9.7
211.03964	3.2
213.01926	2.2
215.03568	2.1
226.02690	6.4
227.03484	9.8
229.01234	1.9
229.14380	1.9
232.03076	1.8
237.01855	3.0
239.03450	4.0
240.04111	2.1
242.02155	3.3
242.23950	1.7
253.01389	6.7
254.02177	8.2
255.02953	14.5
259.02576	2.2
266.02271	2.2
267.03024	2.9
269.00836	14.8
269.10312	3.6
271.02448	21.1
281.00858	3.6
282.01666	2.7
283.02493	4.2
284.03192	3.3
289.78510	1.9
295.02438	3.6
299.01935	6.8
300.02649	2.0
305.04691	2.5
309.04150	1.9
311.11169	2.3
333.03967	2.1
335.05728	2.6
341.02945	4.4
345.04184	2.0
347.05560	2.5
363.05017	3.2
375.05060	3.7
387.05035	2.8
389.02887	4.4
391.04596	3.3
393.05960	2.0
403.04703	5.8
405.06284	12.6
407.03915	13.4
419.04199	11.9
421.05447	9.3
433.02039	6.2
447.03574	3.7
583.04901	4.0
585.06982	4.3
601.06219	17.3
602.06403	2.3
644.99072	2.0
747.11871	41.0
748.12445	5.5
763.11646	15.4
764.11011	2.9
822.76074	2.6
909.17175	100.0
910.17627	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	909.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	6.5
65.00315	11.7
69.27405	8.5
69.27805	2.5
70.71393	1.2
71.01363	2.5
73.89454	1.3
83.01360	7.0
85.02940	3.0
89.02457	1.4
90.50100	1.3
93.03445	4.0
95.01370	2.1
96.95974	4.2
98.20631	2.9
107.01378	21.5
109.02943	5.7
113.02488	1.4
121.02937	4.3
123.00900	2.9
124.01639	5.8
125.02428	5.4
137.02374	1.8
139.04002	2.0
143.00096	1.3
148.01671	2.9
149.02473	6.5
151.00360	69.4
152.01149	16.8
153.01862	4.8
158.03777	1.9
161.02379	2.3
163.00348	3.7
169.01390	7.4
169.43262	1.3
173.02458	1.5
173.04465	1.9
175.00301	2.4
175.03969	3.2
178.99840	78.1
180.00206	3.1
185.02191	1.5
189.01859	1.8
190.99867	3.1
191.05580	5.7
192.00659	6.5
193.01422	14.4
198.03291	2.4
199.03932	2.5
200.04308	1.3
203.03439	8.7
211.04013	3.2
214.02733	2.7
215.03522	2.9
226.02675	4.8
227.03436	12.3
228.04202	1.7
229.01436	2.5
229.05164	1.9
237.01907	3.5
239.03357	3.0
240.04294	1.2
242.02180	4.0
243.02867	3.0
244.03651	2.6
253.01405	4.6
254.02142	10.7
255.02969	18.7
256.03479	2.7
267.02826	3.1
269.00934	8.8
270.01578	1.9
271.02457	21.2
272.03003	2.7
281.00815	5.9
282.01532	1.4
283.02353	5.5
292.03857	1.4
293.00845	1.6
293.04401	1.4
295.02341	2.8
296.03290	2.6
297.03873	3.1
299.01935	6.4
300.02628	2.7
311.01981	3.1
321.04004	1.5
335.05554	3.1
341.02979	5.5
347.05807	2.9
361.03494	1.8
363.05115	1.9
365.02878	3.1
375.05051	5.4
379.04599	1.8
389.02878	4.2
390.03662	2.1
391.04282	1.8
392.05502	1.9
403.04373	2.6
404.05359	3.5
405.06381	10.1
407.04083	11.0
408.04340	2.0
419.04068	8.1
420.04547	2.2
421.05460	7.4
431.03925	1.8
433.01862	5.0
447.03143	1.7
449.05426	3.1
451.03287	2.0
528.98419	1.4
583.04871	3.3
585.06531	2.7
600.04688	1.6
601.06067	16.4
602.06757	2.7
730.15674	1.7
747.11938	34.9
748.12402	4.3
763.11438	20.2
764.12103	3.2
909.17212	100.0
910.17633	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	909.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	8.1
65.00321	12.3
71.01376	12.7
73.02942	6.8
83.01344	8.3
85.02942	4.4
87.00852	1.7
89.02426	4.9
93.03432	3.8
95.01373	2.8
96.96015	7.0
101.02308	14.9
107.01387	23.5
109.02944	4.9
111.00868	1.7
113.02455	5.5
114.65051	1.1
119.03497	2.3
119.26412	1.2
121.02947	5.8
123.00856	1.8
123.04441	1.3
124.01667	7.5
125.02433	4.1
133.02943	1.3
135.04475	2.6
137.02435	3.5
139.03963	1.8
145.85005	1.3
148.01616	2.5
149.02403	6.8
151.00359	88.9
152.01135	21.9
153.01866	3.4
161.02412	4.3
161.04541	3.5
163.00343	3.6
163.03973	1.2
165.01834	2.0
169.01442	7.1
173.04478	1.4
175.00371	2.4
175.03954	6.3
178.99838	91.2
179.03358	2.5
180.00203	1.6
187.03990	1.7
187.13292	1.3
189.01839	1.8
189.12860	1.7
190.99831	2.5
191.04027	1.2
191.05598	10.8
192.00616	6.2
192.05890	1.7
193.01393	13.6
197.02382	1.9
198.03178	2.4
199.03960	2.2
203.03436	12.8
203.05502	3.1
207.13846	3.4
211.03983	2.7
213.01927	1.8
214.02763	3.2
215.03426	3.8
217.01407	1.3
223.03935	1.2
225.01826	1.3
225.14905	4.7
226.02704	7.5
227.03452	12.5
228.04211	3.1
229.01361	1.2
229.05106	1.3
237.01863	5.0
237.04114	1.3
239.03510	4.1
240.04164	1.2
241.01376	2.7
241.04825	1.8
242.02100	3.2
243.02878	4.2
253.01364	5.9
254.02223	12.0
255.02942	15.9
256.03583	2.7
259.02350	1.4
265.05014	2.1
265.66061	1.1
267.02985	3.7
268.03537	1.3
269.00861	7.8
270.01508	2.0
271.02441	20.2
272.02957	1.2
277.05069	1.9
281.00867	5.3
282.01709	2.6
283.02496	5.7
284.03238	1.6
295.02536	5.4
295.05487	1.5
297.03922	2.1
298.01260	1.6
299.01865	10.1
303.08905	3.1
311.01956	3.7
313.03470	2.0
317.04666	1.6
319.02466	1.3
331.17639	6.9
333.03745	2.2
335.05478	2.7
341.02921	3.9
345.03619	2.7
347.05457	2.8
349.18658	6.6
351.05066	1.3
359.05728	1.7
361.03244	2.4
363.05017	3.4
364.02103	1.8
365.02908	2.9
375.05167	4.3
377.02448	1.7
377.06839	1.4
387.04785	1.3
387.16309	2.6
389.02649	8.2
389.06488	1.8
390.03622	1.8
391.04480	3.4
391.19714	17.8
393.06046	2.1
403.04480	3.7
404.05325	2.7
405.06195	16.2
406.03091	2.4
407.04068	12.3
409.05502	2.3
417.02399	2.9
419.03934	5.1
421.05515	4.9
429.21176	3.1
433.01852	11.8
434.02490	1.4
449.05206	2.8
451.02850	3.1
473.12952	3.6
567.05304	3.0
569.09747	1.4
583.05255	3.9
585.06274	4.4
601.06097	16.2
611.10553	1.4
729.11346	3.1
747.12000	47.2
748.12250	4.3
763.11316	28.4
764.11810	2.7
909.17169	100.0
910.17554	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	905.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.0
71.01379	27.0
71.63380	1.0
72.99281	1.0
73.02940	10.5
77.96877	0.8
83.01377	4.6
84.68910	0.7
85.02951	12.4
86.00109	0.8
87.00864	5.0
89.02450	4.3
93.03447	3.0
95.01373	2.1
96.96011	0.8
97.02957	1.8
99.00861	4.9
101.02441	20.5
102.02748	0.7
104.43742	0.8
113.02439	13.6
119.03523	2.3
125.02381	1.9
129.01955	0.9
135.04486	0.8
143.03526	1.9
151.00291	1.0
159.02992	2.4
161.04567	15.2
161.09694	1.1
163.00372	1.6
163.11269	7.7
173.04559	3.2
181.12282	1.6
187.03891	1.6
187.11200	1.3
191.05560	5.3
203.05577	2.2
205.12286	2.0
207.13919	1.7
213.05482	0.8
225.14969	7.1
227.03465	25.2
228.03888	1.4
229.04976	5.4
241.04970	0.8
255.02962	41.1
256.03516	4.6
257.04517	2.9
284.03238	49.0
285.04010	55.9
286.04404	3.0
300.02704	1.0
325.16574	7.9
343.17624	2.9
367.17517	1.7
369.19128	17.1
370.19803	1.1
385.18719	1.9
387.20230	24.8
388.20447	0.9
429.21228	100.0
430.21634	9.0
431.09772	88.8
432.10083	7.4
473.20273	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	905.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	0.4
65.00318	0.8
69.63615	0.8
69.64030	0.3
71.01350	0.3
79.45449	0.1
82.23504	0.1
83.01386	0.8
85.02939	0.2
91.01896	0.2
93.03454	0.2
101.02426	0.1
107.01376	2.0
108.02193	0.7
109.02937	1.6
111.90828	0.1
121.02945	2.0
125.02489	0.3
135.00835	0.5
147.00815	0.2
148.01666	0.7
149.02454	0.3
151.00357	9.6
152.00751	0.3
159.04486	0.2
161.02440	0.2
163.00366	2.2
164.01080	0.3
165.02025	0.2
171.04480	0.2
175.04056	0.2
178.99846	5.1
180.00212	0.2
183.04472	0.3
185.06059	0.2
187.03908	0.5
190.99757	0.3
191.05684	0.2
192.00636	0.2
193.01349	0.3
199.03899	0.3
201.05544	0.4
203.03477	0.3
211.03976	0.9
212.04639	0.2
215.03574	0.3
216.04202	0.4
226.02635	0.5
227.03471	1.5
228.04155	0.2
229.05016	1.0
239.03429	0.4
243.02943	4.2
244.03363	0.4
245.04553	1.3
254.02188	0.9
255.02953	14.0
256.03406	0.8
257.04526	0.4
271.02444	26.0
272.02942	2.0
273.03979	1.4
283.02518	1.3
299.01993	0.6
300.02716	58.1
301.03473	43.1
302.03812	2.3
309.75470	0.1
327.51807	0.2
447.09274	100.0
448.09604	8.4
737.66199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	3.7
69.03458	4.1
70.22275	1.6
70.22659	1.2
71.01379	39.9
72.56908	0.8
72.99293	2.6
73.02940	14.8
77.32060	0.8
81.03444	0.8
83.01384	9.5
85.02943	23.7
86.00111	1.7
87.00372	1.3
87.00870	13.3
87.04534	1.1
89.02448	8.9
92.75475	0.7
93.03457	32.3
95.01373	2.9
96.95985	2.0
97.02924	3.2
99.00848	4.1
99.04498	1.7
99.42827	0.7
101.02438	27.4
103.04012	2.1
106.96067	0.7
109.02947	1.9
111.00858	1.5
111.04520	4.4
113.02450	13.8
115.03985	3.0
119.03499	2.6
125.02439	6.6
127.03975	1.9
129.01962	1.1
131.03467	4.3
132.02191	1.3
133.02902	0.8
134.03773	4.3
135.04523	8.5
137.02441	1.3
143.03445	4.5
155.03452	1.3
159.02907	1.8
160.01636	3.0
161.02353	1.0
161.04552	5.3
162.03188	1.1
163.06169	0.9
173.04527	34.0
174.04866	1.2
178.02623	1.4
179.03535	1.6
191.05589	34.9
192.05901	0.9
205.07181	1.4
209.11670	1.0
227.20052	0.7
246.08560	0.7
246.11104	0.8
257.08075	2.1
275.09262	5.2
303.89624	0.8
308.08896	0.8
317.68109	0.8
351.07141	1.8
352.07959	3.2
387.27573	0.9
389.25351	6.9
449.14493	48.2
450.14755	4.4
535.30896	1.6
697.36609	1.7
843.42590	1.4
885.43719	1.3
903.44360	100.0
904.44696	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	903.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.6
69.03452	2.7
69.35576	1.2
69.35992	3.5
71.01376	39.8
72.01689	0.7
72.99298	2.8
73.02939	12.2
75.00851	0.6
81.03443	1.4
83.01383	9.5
83.02174	0.5
85.02945	19.7
85.52740	0.5
86.00076	1.8
87.00862	6.8
87.04498	1.8
89.02435	7.8
93.03459	3.2
95.01375	2.7
96.95984	2.7
97.02946	3.7
97.85863	0.5
98.02140	0.5
99.00874	4.3
99.04523	0.6
101.02439	25.3
102.02776	0.6
103.04002	2.2
109.02940	1.2
111.00896	1.1
111.04511	0.7
113.01673	1.1
113.02434	14.9
115.03996	1.8
119.03495	2.0
121.02934	0.6
125.02440	6.9
129.01929	1.0
131.03494	4.6
135.04529	0.7
141.01912	0.7
143.03485	4.1
145.05019	1.1
159.02960	1.8
161.04543	4.9
163.06204	0.6
173.04533	3.3
175.23720	0.5
176.15865	0.5
191.05627	4.9
193.12411	0.5
198.79329	0.5
205.07190	0.8
209.11763	0.6
221.06647	0.9
227.20107	1.0
234.04295	0.7
262.30032	0.6
269.20923	0.6
387.27780	0.6
388.00739	0.6
389.25345	8.0
449.14673	0.7
501.65179	0.6
535.31158	1.4
697.35211	0.8
783.44708	0.6
843.42108	1.0
885.43018	1.5
903.44342	100.0
904.44727	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4435
Annotation	Crypthophilic acid A
Peak:m/z	Relative Intensity
67.01871	0.6
68.99794	0.7
69.03459	2.6
69.26604	5.5
71.01380	31.3
71.05012	0.9
72.99305	2.8
73.02945	10.1
75.00864	0.6
81.03437	0.8
83.01383	7.8
83.05045	0.5
85.02425	1.0
85.02946	16.7
85.06592	1.4
86.00092	2.3
87.00867	7.0
87.04498	1.9
89.02442	7.3
93.03469	2.5
95.01385	1.8
96.96001	2.8
97.02934	3.4
99.00880	3.6
99.04465	0.6
99.08139	1.0
101.01768	0.9
101.02439	18.0
103.03996	1.9
109.02942	0.9
111.00885	0.7
111.04552	0.7
113.02443	9.5
115.04043	1.1
119.03495	1.5
124.01586	0.6
125.02446	6.3
127.03986	0.8
131.03493	2.7
134.03659	0.5
135.04446	0.7
137.02501	0.6
143.03548	2.9
143.04453	0.6
145.05057	0.6
159.02950	1.0
161.04504	3.0
161.06024	1.8
167.14406	0.6
173.04515	3.4
191.05591	5.6
205.07040	0.8
209.23354	0.6
221.06593	1.0
223.20547	0.7
239.20137	0.6
241.21611	1.3
244.51207	0.5
269.21191	4.0
273.46512	0.5
287.22226	4.7
299.02039	0.7
413.25076	0.9
431.26407	13.8
432.26862	1.4
449.14774	1.1
449.27621	2.0
577.32117	6.2
595.33258	3.2
596.32965	0.5
739.37122	4.2
740.37921	1.0
757.38470	1.2
885.43420	4.7
903.44360	100.0
904.44617	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87657	0.5
67.01883	0.7
69.03442	2.1
69.26530	4.3
71.01377	31.7
72.99291	2.7
73.02946	10.7
78.95881	0.9
81.03409	0.7
81.76561	0.5
83.01382	6.6
85.02945	14.8
85.06599	0.5
86.00079	1.1
87.00875	7.3
87.04485	1.1
89.02438	5.9
93.03445	3.5
95.01370	2.3
96.95988	2.0
97.02924	2.4
99.00858	4.1
99.08173	1.1
101.01769	0.9
101.02436	16.6
103.03978	1.8
111.00838	1.0
111.72287	0.6
113.02435	9.4
115.03998	1.1
119.03454	1.5
124.01704	0.6
125.02429	5.4
127.03992	0.6
131.03476	2.5
135.04475	0.9
143.03464	2.8
145.05046	1.1
159.02917	0.6
161.04486	3.4
161.05789	0.8
169.55234	0.5
173.04521	4.0
191.05615	6.1
192.05937	0.6
205.07092	0.6
223.13493	0.6
223.20587	0.9
239.20126	0.6
241.21751	0.7
247.08110	0.7
269.21118	2.9
279.38757	0.6
287.22229	4.9
353.08691	0.6
413.25189	0.9
431.26462	12.7
432.26978	0.9
449.14441	0.5
449.27646	1.7
467.15961	0.9
479.57187	0.5
577.32275	5.6
578.32135	0.9
595.33313	4.4
652.25275	0.5
678.13184	0.7
739.37750	4.4
740.38245	0.8
757.38611	1.1
885.43713	4.5
903.44354	100.0
904.26801	0.9
904.44720	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	901.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90842	0.5
69.03432	1.2
71.01378	14.0
71.42656	0.8
72.99292	1.9
73.02940	2.5
76.75327	0.6
77.42248	0.6
79.95741	0.7
80.02671	0.7
81.03449	1.6
83.01384	1.5
83.05022	6.2
84.02143	1.0
84.92480	0.6
85.02190	0.5
85.02960	3.4
85.68900	0.6
85.71094	0.6
87.00867	2.6
89.02435	12.1
93.03468	1.1
95.01400	0.9
95.05038	1.1
96.96004	17.5
96.96959	0.7
97.02937	1.9
99.00916	0.9
101.02438	10.7
111.04475	0.8
113.02438	5.0
113.05975	0.6
119.03483	3.5
125.02426	4.9
125.06085	0.8
127.28955	0.6
135.08153	1.3
138.03679	0.5
139.04070	0.6
143.03490	1.7
161.04546	2.7
163.11261	4.5
165.12791	3.2
179.05571	3.4
181.12329	1.1
183.13803	0.8
189.25998	0.7
191.05580	0.7
191.10738	1.4
195.13867	5.0
209.11801	99.8
210.12172	4.9
211.13380	1.6
216.59950	0.5
221.06621	1.6
223.13408	4.1
227.12856	12.4
228.13130	0.7
231.27756	0.6
235.08211	4.0
235.16992	1.6
253.09364	0.7
256.13223	1.1
265.21872	0.7
271.02478	0.8
275.20129	4.8
287.07800	1.1
293.21191	100.0
294.21518	6.0
295.21713	0.7
299.01889	1.2
305.08820	1.5
309.20630	0.8
323.09708	1.6
379.12463	5.3
397.13434	39.9
398.13690	1.9
415.14529	13.4
416.14645	1.3
589.25513	0.9
607.25946	4.6
691.35626	1.2
692.34424	0.7
901.48590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11243	1.8
65.17569	1.6
69.03440	2.8
71.01377	20.6
71.05044	1.6
71.58688	1.6
71.63476	2.6
73.02957	2.8
79.90168	1.4
83.01357	2.4
85.02956	3.8
87.00868	4.6
89.02436	13.3
90.35039	1.5
96.96022	2.0
97.02953	4.9
99.00877	10.8
101.02435	12.3
109.06623	1.5
110.03725	1.7
113.02428	6.5
116.92874	1.4
119.03469	3.2
125.02430	2.4
125.09722	5.1
163.11279	7.0
171.10240	13.2
179.05553	2.8
181.12334	13.4
197.11777	2.6
199.13371	14.2
199.59921	1.7
207.10271	33.7
221.06635	4.8
225.11317	50.5
226.11858	1.7
235.08189	2.3
243.12363	16.0
277.21680	35.1
379.12228	3.9
387.28793	2.8
397.13480	13.4
415.14383	4.1
568.35370	1.6
591.00500	1.6
605.24426	4.8
623.25476	5.4
760.17963	1.8
883.46692	12.5
884.46472	2.3
901.47894	100.0
902.48230	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	901.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
77.15876	0.2
83.99644	0.2
87.00862	3.9
87.02721	2.3
102.98596	0.6
109.02950	0.2
115.05872	0.2
131.05342	1.5
133.06918	100.0
134.07263	1.9
151.00330	0.3
163.00471	0.2
173.04538	0.4
175.07848	0.2
184.60335	0.2
191.05634	0.6
203.07442	8.3
204.07751	0.2
221.08496	21.9
222.08788	0.9
227.03476	1.7
228.03790	0.2
229.05022	0.2
255.02921	3.4
256.03580	0.3
263.09537	49.4
264.09885	2.5
284.03226	6.1
285.03949	2.3
292.56506	0.2
307.08539	0.2
360.15704	0.2
411.19131	0.2
449.14282	0.2
463.08740	0.2
593.14996	9.5
594.15533	1.1
706.05988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23707	1.3
68.44556	1.2
69.03445	2.9
71.01380	14.3
71.05007	2.5
71.63409	1.9
73.02513	1.2
73.02932	4.0
78.95892	6.1
79.95724	2.1
80.96519	4.1
83.01357	1.6
84.66663	1.4
85.02950	4.0
87.00840	3.1
89.02421	9.9
95.01324	1.6
96.95985	1.6
97.02917	1.7
97.35507	1.4
99.00878	1.3
101.02444	9.6
101.06077	2.2
105.85509	1.2
112.83884	1.2
113.02421	4.3
119.03481	1.6
123.80431	1.4
125.02429	1.6
125.09715	2.1
151.11269	1.4
152.99600	6.9
153.12766	1.5
161.04472	1.8
161.09682	2.6
179.10754	4.3
191.05598	1.9
197.11816	54.9
198.12167	2.0
209.11865	2.9
221.06618	3.8
223.09845	1.8
225.00809	1.7
241.10767	3.8
277.21710	25.6
277.24658	1.6
278.22055	2.7
279.23248	1.9
346.66379	1.6
397.13364	3.6
431.22290	1.9
446.47141	1.5
471.15192	2.1
487.22159	1.4
884.45221	1.6
899.46368	100.0
900.46838	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	899.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.6
67.01884	10.3
69.03451	3.5
71.01376	4.5
71.05017	0.5
71.63398	0.6
71.63761	0.4
73.02934	0.8
81.03461	2.6
83.05026	1.6
85.02950	5.1
87.00870	14.0
88.68848	0.4
89.61217	0.4
93.03453	90.3
94.03794	1.7
95.01375	0.5
96.96037	0.9
97.06585	0.5
99.00885	1.5
99.04530	1.3
101.02456	0.5
107.01363	0.5
109.02944	1.8
111.00889	1.3
111.04514	12.9
113.02449	1.4
115.04007	0.6
127.03983	0.8
129.01973	1.5
133.02945	2.0
134.03737	15.8
135.04524	7.9
137.02448	5.0
143.03500	0.8
145.24690	0.4
147.03030	0.5
148.19255	0.4
151.00383	0.6
155.03493	5.7
163.00294	0.4
173.04533	100.0
174.04848	2.6
177.01906	2.1
178.02710	6.9
179.03496	4.5
183.04544	0.4
191.01994	2.6
191.05606	13.4
200.26675	0.4
211.04140	0.6
227.03488	13.3
228.03851	0.8
229.05090	2.4
231.10222	1.7
241.18399	0.5
255.02969	17.0
256.03625	2.5
257.04599	1.3
275.09283	2.9
284.03229	21.6
285.04010	22.8
286.04523	0.7
293.10300	9.0
431.09775	46.0
432.10019	3.8
432.90433	0.5
446.17688	0.4
449.14493	32.5
450.14841	3.1
467.15549	89.3
468.15875	8.4
527.76239	0.5
921.70996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	34.2
72.99292	4.2
73.02941	4.5
78.95903	1.6
83.01366	3.8
83.05042	1.7
85.02951	8.5
87.00866	11.4
89.02434	26.4
93.03471	2.5
95.01395	2.8
96.96001	7.5
97.02924	2.1
98.19857	3.8
99.00884	2.2
101.02435	22.5
109.72118	1.5
113.02435	14.5
119.03487	4.7
125.02437	8.3
131.03493	5.5
136.42281	1.3
139.23390	1.4
143.03516	4.4
161.04568	8.3
163.54941	1.3
173.04514	4.9
174.60986	1.4
179.05614	9.9
191.05591	3.8
209.11871	3.9
217.21396	1.4
221.06691	4.6
227.12856	1.7
229.59647	1.5
235.08192	3.0
276.64871	1.5
277.21680	13.7
351.06940	1.7
379.12454	3.5
397.13370	8.7
415.14560	3.6
467.13809	2.7
559.18719	100.0
560.19281	8.8
577.19843	31.8
578.20282	3.6
837.41193	13.2
889.95313	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	895.193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.3
69.44347	0.5
69.44764	0.7
83.01369	0.2
89.36871	0.1
93.03455	0.3
96.95963	0.2
104.01003	0.2
107.01411	0.4
112.35963	0.2
116.52074	0.2
125.02444	0.3
137.02467	0.2
151.00368	1.7
153.01924	0.2
159.04462	0.1
163.00282	0.4
165.01935	0.2
173.04604	0.2
174.03198	0.4
175.04016	0.2
178.99911	0.3
183.04501	0.3
185.06148	0.2
187.03951	0.2
191.05586	1.0
211.03928	0.6
213.05580	0.2
227.03476	28.8
228.03880	1.7
229.05034	1.0
255.02957	40.2
256.03561	5.4
257.04489	1.0
283.05963	0.2
284.03226	50.9
285.03925	13.7
286.04385	0.8
299.05496	0.2
327.05325	0.9
418.05536	0.2
431.37311	0.2
447.09268	100.0
448.09595	8.5
539.51477	0.2
579.17108	0.2
612.51898	0.2
624.66455	0.2
703.17163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30054	0.4
63.96231	1.0
69.14603	0.4
71.01373	4.2
71.63293	0.7
73.02948	1.1
78.98586	3.9
79.95736	6.4
80.96513	38.7
85.02956	2.1
87.00858	1.6
94.98088	9.7
96.96022	0.9
97.02946	1.3
101.02446	1.4
106.98078	2.0
122.26685	0.4
122.97578	3.5
125.02471	2.5
127.04017	0.5
134.97581	3.0
136.99091	0.9
148.99136	3.7
152.98599	4.5
153.43098	0.4
164.98636	7.8
182.99742	1.2
206.99693	1.9
217.19940	0.4
225.00726	13.4
239.42891	0.4
243.01749	1.3
253.46545	0.5
266.89569	0.4
270.66226	0.4
277.21701	1.5
299.04459	5.1
324.21957	0.4
498.63623	0.4
577.26819	100.0
578.27094	10.8
853.60693	0.6
893.46436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02381	5.9
65.00322	11.3
69.70159	0.9
71.01376	1.3
71.63155	0.9
71.63523	1.2
73.02952	1.0
82.30889	0.8
83.01339	5.5
85.02921	1.0
85.50343	0.9
93.03439	2.8
93.44776	1.0
94.46652	0.8
95.01382	2.0
96.95966	0.8
107.01376	21.9
109.02945	4.4
111.00809	0.9
121.02946	3.4
123.00890	2.0
123.04551	1.2
124.01645	6.2
125.02419	3.8
135.00854	1.0
136.51059	1.0
137.02466	2.4
145.02960	1.1
147.04480	1.0
148.01639	3.2
149.02432	5.1
150.09938	0.9
151.00362	71.7
152.01147	21.5
153.01817	3.1
161.02368	1.7
163.00339	4.0
169.01376	4.7
173.02397	1.1
173.04510	1.0
175.00308	1.9
175.03935	3.7
178.99843	84.3
180.00156	2.0
185.02443	1.2
190.99835	2.0
191.05611	3.6
192.00642	6.8
193.01404	13.2
198.03178	1.9
199.03905	2.6
203.03476	8.3
211.03989	2.7
213.01785	1.1
214.02643	2.3
215.03430	3.8
225.01782	2.3
225.05374	1.0
226.02744	7.3
227.03458	11.9
228.04219	3.0
229.01402	2.4
237.01920	3.8
238.02547	1.1
239.03444	3.5
240.04248	2.2
241.01352	2.0
242.02182	3.1
243.02924	2.4
244.03665	1.2
253.01442	6.0
254.02200	10.1
255.02942	14.7
256.03613	3.2
267.02914	3.9
269.00919	7.1
270.01520	2.8
271.02478	16.9
277.04749	1.3
279.03140	1.7
281.00803	4.2
282.01428	2.0
283.02475	3.9
283.05579	1.0
284.03214	2.3
285.03827	1.5
294.01566	1.1
295.02414	3.8
295.05853	1.3
296.03232	2.1
297.00482	1.1
297.03989	3.1
298.01288	1.5
299.01965	6.8
300.02722	1.4
311.01868	3.4
317.04593	2.5
319.06107	1.9
323.01956	1.3
329.04803	1.2
333.03870	2.0
341.02896	5.6
345.04330	1.7
347.05530	3.3
349.03461	1.2
351.04956	1.1
361.03406	1.6
362.04337	1.3
363.05090	2.1
365.02942	3.1
375.04883	2.6
377.02737	1.5
377.06876	1.5
379.04498	1.4
389.02844	3.9
389.07043	2.1
390.03717	1.7
391.04636	2.2
392.05124	1.7
393.06186	1.4
403.04642	2.6
404.05157	2.4
405.06287	13.7
406.02905	1.5
407.03989	13.1
409.05472	1.9
417.02377	1.9
419.04083	3.3
420.04688	2.2
421.05630	4.1
433.01898	6.3
447.03317	1.3
449.05527	2.1
451.03033	2.2
465.04401	1.3
553.09924	1.8
583.05096	1.9
585.06317	2.1
600.05536	2.7
601.06036	9.8
632.29169	1.0
654.06433	1.1
731.12878	10.9
732.12433	1.2
747.12036	38.0
748.12256	5.2
893.17737	100.0
894.17938	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	893.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	7.2
63.02660	1.5
65.00317	8.8
65.93914	0.9
70.63165	3.2
71.01404	1.2
74.36253	1.1
81.25154	1.1
83.01336	5.7
93.03437	3.0
95.01380	2.1
107.01376	18.4
109.02930	4.8
121.02921	4.7
124.01669	7.1
125.02438	3.8
135.00877	1.2
137.02443	1.8
148.01628	2.8
149.02431	4.5
151.00363	62.2
152.01144	14.9
153.01848	1.6
159.04453	1.3
161.02419	2.5
163.00377	2.5
169.01370	6.1
169.02724	1.8
172.79935	1.1
173.04500	2.1
175.00313	1.9
175.04015	3.3
178.99844	76.6
180.00217	3.0
187.04005	1.5
189.01956	1.8
190.99844	2.4
191.05563	5.4
192.00589	4.4
193.01395	11.0
198.03221	2.4
199.03976	1.7
203.03513	8.4
211.03865	1.3
214.02736	2.3
215.03499	2.9
217.01558	1.7
225.01868	2.7
226.02725	7.3
227.03447	8.9
228.04185	3.0
229.01430	1.7
229.04912	1.4
237.01907	3.9
239.03433	2.0
241.01347	2.6
242.02034	1.6
243.02971	3.8
244.03703	1.1
251.03354	1.5
253.01433	5.5
254.02202	8.1
255.02960	14.9
256.03537	2.2
257.00955	1.3
259.02475	1.4
265.05005	1.1
267.02951	2.3
268.03772	1.2
269.00854	8.9
270.01526	1.9
271.02402	18.3
272.02972	1.8
281.00821	3.1
282.01569	1.3
283.02460	3.6
284.03000	1.3
289.04987	1.3
293.04584	1.4
295.02295	2.5
296.03180	1.4
297.00467	1.6
297.03839	2.6
299.01984	6.2
300.02667	6.6
301.03503	3.7
311.01880	2.5
321.04221	1.9
335.05496	2.5
341.02798	5.8
347.05658	3.0
347.47925	1.2
365.02808	2.7
375.05087	5.0
379.04321	1.6
389.02722	5.6
391.04425	2.5
393.06055	1.5
403.04541	2.9
404.05093	2.2
405.06119	11.9
407.04050	11.5
408.04047	1.7
409.05722	1.4
419.03912	3.2
421.05786	6.2
433.01852	5.5
449.05142	2.4
451.03204	2.6
459.08362	1.5
463.08734	4.7
465.03391	1.3
469.20663	1.2
583.05188	1.8
600.05408	3.5
601.06281	11.5
747.12048	38.7
748.12372	3.8
893.17737	100.0
894.17834	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	889.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	0.7
69.03448	2.5
69.38059	1.5
69.38481	3.5
71.01380	34.9
72.99287	2.6
73.02940	14.4
75.00838	0.9
78.79508	0.6
81.03432	1.3
83.01375	9.7
83.05009	0.9
85.02946	17.7
86.00107	1.3
87.00359	0.9
87.00861	6.8
87.04494	1.7
89.02432	8.8
93.03448	2.5
95.01416	2.8
96.96005	2.9
96.96516	0.5
97.02953	3.7
99.00868	5.3
101.02440	23.1
103.04002	2.2
109.19990	0.5
111.00850	1.1
113.02441	13.6
114.71634	0.6
115.04028	1.2
115.67027	0.5
119.03490	1.9
125.02441	6.8
127.04017	0.8
129.01981	0.6
129.18159	0.6
131.03493	3.4
131.04317	0.5
135.04535	0.7
137.02423	0.8
143.03481	3.4
145.05038	0.9
151.03990	1.4
159.02983	1.7
161.04565	5.7
173.04552	3.3
191.05620	5.2
201.11292	4.5
205.07109	0.7
209.11775	7.6
221.06653	0.9
227.12822	2.1
373.25732	0.8
375.23889	7.4
379.12436	0.7
397.13440	2.4
489.19968	0.7
512.54370	0.6
521.29108	1.5
607.25952	0.8
641.24646	0.8
683.34576	1.2
803.40570	0.8
829.40875	0.9
871.40912	1.0
889.42786	100.0
890.43115	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	893.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	4.0
65.00323	9.9
70.41598	3.9
74.79671	1.3
83.01353	4.7
93.03436	2.5
95.01376	3.0
96.96000	1.2
99.63483	0.9
101.02412	1.3
107.01376	18.6
109.02933	4.5
111.00895	1.1
113.02348	1.1
121.02944	4.3
123.00903	2.1
123.04485	1.5
124.01636	8.2
125.02409	4.5
129.30664	1.0
135.00822	1.7
147.00864	1.2
148.01625	2.3
149.02412	4.8
151.00360	69.2
152.01143	19.1
153.01782	1.5
161.02441	2.5
163.00391	2.6
165.01730	1.3
169.01396	5.6
173.02397	1.4
175.00327	2.0
175.03952	3.4
178.99844	86.4
180.00209	1.8
183.04446	1.4
185.02216	1.4
189.01904	1.4
190.99771	2.4
191.05589	3.8
192.00618	5.1
193.01414	11.5
197.02301	1.2
197.20969	1.0
199.03865	2.6
203.03491	8.5
211.03990	2.4
213.01920	2.8
214.02701	3.2
215.03479	3.1
218.01813	1.1
225.01868	1.8
226.02654	7.9
227.03490	10.4
228.04092	2.4
237.01848	3.4
239.03510	2.9
242.02177	3.6
243.02818	2.6
244.03801	1.4
253.01390	4.4
253.07516	1.2
254.02179	8.1
255.02977	14.0
256.03696	1.6
259.02499	1.2
267.02878	2.7
269.00940	5.2
271.02463	13.5
272.02887	1.7
281.00876	4.4
282.01965	1.1
283.02505	6.1
284.03058	1.5
285.03784	1.2
293.04495	1.7
295.02338	3.1
297.03912	2.4
299.01901	5.5
300.02365	1.2
311.01682	1.9
312.02521	1.3
313.03766	1.6
329.04160	1.3
331.06320	1.6
333.04120	1.4
335.05753	1.3
341.02969	5.6
347.05408	2.6
359.05499	1.2
361.03403	1.5
363.05023	1.9
365.02634	2.5
375.04965	1.9
377.02740	1.4
378.03546	1.4
389.02884	4.7
389.07144	2.0
391.04788	2.0
393.06042	1.5
403.04550	2.2
404.05264	2.3
405.06299	9.7
406.02878	1.5
407.03998	11.3
417.02509	1.6
419.03833	2.5
420.04605	2.0
421.05649	3.7
433.01718	5.3
450.01770	1.3
451.02963	1.7
460.10095	1.2
553.10010	1.7
583.05310	1.5
585.07495	1.5
592.44171	1.3
599.04688	1.3
600.05151	1.3
601.06226	8.8
731.12354	10.8
732.12439	1.6
746.10889	1.9
747.11926	27.1
748.12183	4.6
893.17749	100.0
894.18140	17.7
914.34607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.2
67.01886	5.1
67.02251	0.3
69.03458	1.1
69.71302	0.4
69.71712	0.6
71.01379	3.5
76.44581	0.2
81.03444	0.9
83.05009	0.9
85.02950	2.8
87.00869	2.8
88.42761	0.2
89.03962	0.6
93.03455	37.3
94.03802	0.6
95.01420	0.2
96.96021	0.5
98.84084	0.2
99.00868	0.4
99.04520	0.4
101.02433	0.3
108.02156	0.2
109.02932	1.1
111.00870	1.0
111.04516	6.0
113.02458	0.4
115.03983	0.2
117.03445	1.4
121.02942	0.2
127.04013	0.8
129.01956	0.2
134.03732	20.5
135.04031	0.4
137.02429	4.7
149.06062	1.3
151.00366	0.2
155.03484	4.3
173.04535	100.0
174.04863	3.2
175.03934	0.4
178.02646	0.3
191.05595	47.7
192.05937	1.2
193.05035	15.3
194.05397	0.7
367.10294	59.1
368.10583	3.9
368.14810	0.3
516.94305	0.2
533.60602	0.2
549.48804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.5
67.01890	2.4
69.03447	0.8
70.43192	0.7
70.43586	0.5
71.01373	2.0
79.97767	0.3
81.03458	0.8
83.01402	0.5
83.05016	0.8
85.02946	1.3
93.03450	16.6
93.12435	0.3
93.36079	0.3
94.03771	0.6
96.96001	0.9
107.01394	1.8
108.02187	0.6
108.59335	0.3
109.02941	1.7
111.00868	0.7
111.04526	2.7
121.02945	2.2
125.02493	0.3
135.00917	0.7
137.02451	3.1
148.01700	0.6
151.00360	8.7
155.03511	2.5
163.00346	2.1
173.04532	58.9
174.04883	1.3
178.99844	4.9
191.05589	10.3
211.03925	0.9
223.13361	5.7
226.02742	0.5
227.03510	2.2
229.04991	0.7
243.02937	4.1
244.03664	0.4
245.04488	1.6
254.02251	1.1
255.02950	14.0
256.03348	0.9
267.12347	4.1
271.02448	26.9
272.02963	2.2
273.03995	0.8
282.35229	0.3
283.02484	1.3
299.02167	0.7
300.02719	55.2
301.03473	41.6
302.03842	2.3
437.53040	0.3
439.10889	0.4
440.11148	0.4
441.17584	34.7
442.17798	3.1
447.09274	100.0
448.09579	9.1
448.15826	0.5
630.02686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.9
62.60749	0.6
69.03455	2.5
71.01378	49.1
71.63500	1.2
71.64198	0.6
72.01709	0.8
72.99308	2.3
73.02943	46.0
75.00867	1.9
83.01380	16.3
85.02948	13.2
87.00877	2.4
88.93979	0.8
89.02438	16.2
89.02986	1.2
93.03481	3.3
95.01378	4.4
96.96014	2.5
97.02957	1.2
99.00839	1.6
101.02438	62.6
102.02766	1.1
107.01382	1.2
109.02910	1.1
111.04510	0.7
113.02441	35.4
119.03497	10.6
121.06578	1.3
125.02438	2.3
130.67706	0.6
131.03494	8.0
135.04485	0.8
137.02402	1.3
137.09718	13.4
143.03496	8.6
147.02933	1.1
149.04549	19.2
151.00345	1.6
153.01891	0.8
155.03531	3.0
159.02968	0.6
159.04419	1.1
161.04543	28.9
163.00307	1.4
173.04561	3.5
179.05618	1.2
185.06091	0.9
187.03960	1.4
189.05586	0.7
189.12863	4.4
191.05612	6.6
203.05646	3.7
211.04030	1.5
213.05414	0.8
221.06644	12.3
223.03976	0.7
227.03476	26.4
228.03902	1.8
229.04996	5.8
239.03468	1.2
239.08641	0.7
241.05107	1.4
255.02956	42.5
256.03571	4.6
257.04605	3.9
284.03226	55.0
285.04001	65.7
286.04425	4.2
367.80188	0.7
411.20212	5.1
415.43253	0.8
431.09775	100.0
432.10211	10.3
577.52722	0.8
746.01910	0.7
815.83417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.9
62.60749	0.6
69.03455	2.5
71.01378	49.1
71.63500	1.2
71.64198	0.6
72.01709	0.8
72.99308	2.3
73.02943	46.0
75.00867	1.9
83.01380	16.3
85.02948	13.2
87.00877	2.4
88.93979	0.8
89.02438	16.2
89.02986	1.2
93.03481	3.3
95.01378	4.4
96.96014	2.5
97.02957	1.2
99.00839	1.6
101.02438	62.6
102.02766	1.1
107.01382	1.2
109.02910	1.1
111.04510	0.7
113.02441	35.4
119.03497	10.6
121.06578	1.3
125.02438	2.3
130.67706	0.6
131.03494	8.0
135.04485	0.8
137.02402	1.3
137.09718	13.4
143.03496	8.6
147.02933	1.1
149.04549	19.2
151.00345	1.6
153.01891	0.8
155.03531	3.0
159.02968	0.6
159.04419	1.1
161.04543	28.9
163.00307	1.4
173.04561	3.5
179.05618	1.2
185.06091	0.9
187.03960	1.4
189.05586	0.7
189.12863	4.4
191.05612	6.6
203.05646	3.7
211.04030	1.5
213.05414	0.8
221.06644	12.3
223.03976	0.7
227.03476	26.4
228.03902	1.8
229.04996	5.8
239.03468	1.2
239.08641	0.7
241.05107	1.4
255.02956	42.5
256.03571	4.6
257.04605	3.9
284.03226	55.0
285.04001	65.7
286.04425	4.2
367.80188	0.7
411.20212	5.1
415.43253	0.8
431.09775	100.0
432.10211	10.3
577.52722	0.8
746.01910	0.7
815.83417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53519	0.3
68.99824	0.3
69.03448	0.8
71.01379	14.8
72.99301	1.1
73.02930	1.6
75.00849	0.4
80.02640	0.8
81.03466	2.4
83.01367	1.3
83.05020	4.7
84.02134	0.8
84.05363	0.4
85.02937	3.5
87.00867	3.8
89.01908	0.7
89.02438	11.9
93.03487	0.5
95.01370	1.1
95.05016	1.1
96.95975	0.4
97.02946	2.7
98.19780	0.7
99.00852	0.4
101.02438	11.5
111.04517	0.5
112.81625	0.3
113.02444	5.9
119.03479	3.7
125.02435	5.4
125.06122	0.5
131.03513	0.8
135.08131	0.4
141.01956	0.4
143.03517	1.9
161.04550	3.3
163.11295	3.9
165.12863	2.1
167.03436	0.4
179.05597	3.9
180.69966	0.4
181.12372	0.4
191.10785	1.0
209.11803	100.0
210.12134	4.7
217.07385	0.5
221.06650	1.6
227.12856	10.4
228.05818	0.4
228.13130	0.7
230.31232	0.4
235.08159	4.7
245.06549	0.5
251.12932	0.9
253.09363	0.7
263.07541	0.5
277.21695	45.5
278.22049	2.8
287.07626	1.7
291.23376	0.4
305.08755	1.4
323.09796	1.1
379.12424	6.1
397.13461	32.3
398.13837	1.7
404.85449	0.4
415.14526	7.0
416.14810	0.4
431.15091	0.5
484.43063	0.4
607.26367	1.1
623.31354	0.4
675.35510	0.6
873.11499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.4
69.03437	0.8
71.01378	12.6
71.63203	0.3
72.99304	0.9
73.02942	2.0
73.81451	0.2
75.00845	0.3
78.95888	0.3
79.95764	0.2
80.02663	1.2
80.45016	0.2
81.03452	2.0
83.01382	1.5
83.05025	4.7
84.02180	0.7
85.02485	0.3
85.02950	2.9
87.00871	3.2
89.02438	10.9
91.04006	0.2
93.03441	0.2
95.01390	1.2
95.05012	0.9
96.95982	0.3
97.02940	2.3
99.00873	0.7
101.02435	9.5
107.01375	0.2
109.02929	0.3
109.06565	0.3
111.00860	0.3
111.04507	0.6
113.02442	6.3
113.03233	0.3
114.02796	0.2
119.03484	2.8
121.02991	0.2
123.00871	0.2
125.02447	4.6
125.06075	0.6
131.03452	0.5
133.05052	0.3
134.89410	0.3
135.08138	0.8
139.03996	0.4
141.01898	0.5
143.03485	2.2
145.05106	0.3
149.04611	0.3
161.04546	2.7
163.11282	4.1
165.12848	2.6
167.03526	0.4
179.05585	3.5
181.12311	0.7
191.10799	1.1
199.06128	0.4
199.08031	0.2
204.88974	0.2
207.10219	0.2
209.11809	100.0
210.12144	3.7
217.07097	0.9
221.06696	1.2
225.11212	0.2
227.12869	9.9
228.13187	0.4
233.22639	0.3
235.08203	4.7
245.06581	0.3
251.12895	0.7
253.09271	0.9
259.08139	0.5
263.07626	0.5
277.21695	40.1
278.22006	2.5
287.07648	1.5
305.08749	2.1
323.09811	0.8
361.11862	0.3
379.12402	5.8
380.12616	0.3
397.13474	29.3
398.13754	1.9
413.18542	0.3
415.14520	7.2
416.14771	0.4
461.07333	0.4
589.25018	0.4
607.26025	1.1
658.45026	0.3
675.35773	0.5
751.09998	0.2
885.47076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	2.1
71.01377	18.8
71.05029	2.0
71.63300	3.2
73.02918	5.0
85.02920	4.9
87.00855	2.9
89.02428	13.3
97.02934	6.2
99.00897	13.5
101.02423	13.2
102.90740	1.9
113.02431	5.4
119.03481	3.7
123.75276	1.8
125.02406	4.7
125.09741	9.0
143.03419	2.7
163.11284	6.7
171.10251	13.7
179.05519	2.5
181.12308	12.9
184.19708	1.7
197.11774	3.3
199.13361	8.0
207.10263	21.2
221.06558	2.6
225.11302	35.2
243.12343	6.9
255.20602	3.0
255.23276	55.1
256.23584	5.2
291.19781	9.3
309.20645	3.9
379.12173	3.6
397.13446	14.4
415.14642	3.3
605.24103	4.1
623.25702	2.3
861.48193	9.7
862.48761	2.5
879.49445	100.0
880.49567	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	877.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	5.5
65.00314	9.9
68.79323	0.9
69.41616	8.6
71.01357	1.3
73.72018	1.0
78.95894	3.6
83.01383	8.1
93.03477	5.4
95.01379	3.0
95.81460	0.9
96.95997	1.5
101.02404	1.9
101.11198	0.9
107.01377	20.0
108.02235	1.1
109.67698	1.0
111.00847	1.2
123.00866	2.1
123.04512	2.4
124.01654	9.0
124.25595	1.0
125.02428	4.5
127.87409	1.0
133.02893	1.3
137.02437	1.2
149.02455	1.6
151.00357	72.9
152.01147	31.8
152.99590	5.4
153.01794	2.5
161.02428	1.3
163.00302	3.0
169.01443	5.8
169.02722	1.3
173.04497	3.1
175.03917	2.8
178.99847	90.4
180.00230	1.8
183.04486	2.4
187.03795	1.0
190.99806	2.3
191.05600	4.0
192.00621	6.3
193.01460	10.8
198.03157	1.6
199.03989	2.8
201.01883	1.4
203.03543	5.1
211.03940	2.0
213.01839	2.3
214.02635	2.1
215.03555	1.9
219.02968	2.8
226.02721	5.0
227.03471	11.0
227.36617	1.0
228.04126	1.9
237.01956	2.4
239.03452	2.2
241.01442	2.0
242.02243	1.7
253.01402	5.6
254.02185	8.6
255.02977	12.8
256.03622	2.4
267.02933	3.1
269.00888	2.3
270.01590	1.4
271.02499	7.0
281.00827	3.5
282.01474	1.5
283.02332	2.7
284.03268	1.1
285.03973	1.6
295.02505	2.7
297.03915	1.3
311.01907	1.6
329.04532	1.3
331.05969	3.0
335.05511	2.2
346.04861	1.2
359.05447	1.8
361.03247	1.2
361.07150	3.3
363.05341	1.4
365.02899	2.2
377.06821	2.0
379.04166	1.4
387.04971	2.1
388.06012	1.5
389.02170	5.0
389.07068	9.2
390.03302	1.5
391.04492	1.4
393.06375	2.0
403.04437	3.0
404.05350	1.2
405.06186	9.6
407.04031	11.4
413.15677	2.3
416.01791	1.2
417.02878	1.2
417.17642	1.4
432.00949	1.9
433.01770	3.4
435.03336	1.3
447.03488	1.6
553.09497	3.1
567.05481	2.9
579.07513	1.3
583.05151	1.5
584.05835	1.8
585.06488	8.2
586.06879	1.6
731.12421	35.2
732.12622	4.9
846.29431	1.5
877.18195	100.0
878.18506	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	877.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	5.5
65.00314	9.9
68.79323	0.9
69.41616	8.6
71.01357	1.3
73.72018	1.0
78.95894	3.6
83.01383	8.1
93.03477	5.4
95.01379	3.0
95.81460	0.9
96.95997	1.5
101.02404	1.9
101.11198	0.9
107.01377	20.0
108.02235	1.1
109.67698	1.0
111.00847	1.2
123.00866	2.1
123.04512	2.4
124.01654	9.0
124.25595	1.0
125.02428	4.5
127.87409	1.0
133.02893	1.3
137.02437	1.2
149.02455	1.6
151.00357	72.9
152.01147	31.8
152.99590	5.4
153.01794	2.5
161.02428	1.3
163.00302	3.0
169.01443	5.8
169.02722	1.3
173.04497	3.1
175.03917	2.8
178.99847	90.4
180.00230	1.8
183.04486	2.4
187.03795	1.0
190.99806	2.3
191.05600	4.0
192.00621	6.3
193.01460	10.8
198.03157	1.6
199.03989	2.8
201.01883	1.4
203.03543	5.1
211.03940	2.0
213.01839	2.3
214.02635	2.1
215.03555	1.9
219.02968	2.8
226.02721	5.0
227.03471	11.0
227.36617	1.0
228.04126	1.9
237.01956	2.4
239.03452	2.2
241.01442	2.0
242.02243	1.7
253.01402	5.6
254.02185	8.6
255.02977	12.8
256.03622	2.4
267.02933	3.1
269.00888	2.3
270.01590	1.4
271.02499	7.0
281.00827	3.5
282.01474	1.5
283.02332	2.7
284.03268	1.1
285.03973	1.6
295.02505	2.7
297.03915	1.3
311.01907	1.6
329.04532	1.3
331.05969	3.0
335.05511	2.2
346.04861	1.2
359.05447	1.8
361.03247	1.2
361.07150	3.3
363.05341	1.4
365.02899	2.2
377.06821	2.0
379.04166	1.4
387.04971	2.1
388.06012	1.5
389.02170	5.0
389.07068	9.2
390.03302	1.5
391.04492	1.4
393.06375	2.0
403.04437	3.0
404.05350	1.2
405.06186	9.6
407.04031	11.4
413.15677	2.3
416.01791	1.2
417.02878	1.2
417.17642	1.4
432.00949	1.9
433.01770	3.4
435.03336	1.3
447.03488	1.6
553.09497	3.1
567.05481	2.9
579.07513	1.3
583.05151	1.5
584.05835	1.8
585.06488	8.2
586.06879	1.6
731.12421	35.2
732.12622	4.9
846.29431	1.5
877.18195	100.0
878.18506	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	875.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64203	0.9
69.03444	1.1
71.01377	100.0
71.62681	1.6
72.01725	1.3
72.99303	3.4
73.02938	28.0
75.00878	1.4
83.01383	13.7
83.04958	1.0
85.02943	41.3
87.00879	4.2
89.02435	34.6
91.90670	1.0
95.01376	8.1
96.96006	1.3
97.02985	1.8
99.00871	9.1
101.02435	65.3
113.02442	36.6
119.03490	12.7
125.02457	2.1
131.03514	2.2
141.06194	0.9
143.03500	5.7
149.04552	1.8
159.02946	6.1
161.04539	28.2
179.05598	3.7
191.05563	1.3
196.33762	1.0
196.38666	0.9
203.05498	1.5
260.95511	1.0
298.84723	1.0
315.14413	2.5
315.18088	43.7
316.18497	3.2
318.18866	1.0
357.19141	17.6
358.19437	2.0
359.17261	1.2
368.58679	1.0
387.20203	41.9
388.20587	3.4
414.06735	1.2
429.21194	17.4
430.21793	1.5
491.96625	1.1
500.98239	1.0
883.52942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	4.6
69.45556	12.7
71.01378	100.0
72.01702	1.9
72.99294	5.8
73.02941	71.3
74.54559	1.5
83.01379	26.5
85.02937	24.7
87.00841	3.9
89.02435	46.9
89.82395	1.6
91.78334	1.6
92.79637	1.4
93.03419	3.5
95.01379	7.2
95.51179	2.0
96.95994	3.8
97.02981	2.1
99.00867	6.8
101.02435	87.4
107.53107	2.1
113.02438	53.8
119.03503	16.5
124.91605	1.7
125.02398	6.0
131.03499	11.4
143.03535	10.3
149.04556	16.9
151.00197	1.8
155.03391	2.2
159.02985	2.0
161.04541	38.8
169.12436	1.9
173.04477	5.1
179.05644	8.7
191.05569	6.0
203.05562	10.6
209.15350	2.3
219.26546	1.7
221.06625	7.3
247.95174	1.7
284.03214	3.0
300.02661	3.1
301.03629	3.0
313.16492	16.3
331.17496	15.1
371.20471	8.0
373.18619	95.5
374.18918	6.9
399.15073	1.8
413.21710	24.2
414.21890	2.4
417.08008	3.9
433.88742	2.0
447.09308	3.5
448.09277	2.3
493.16217	1.7
496.62570	1.7
560.84546	1.9
681.28802	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	873.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	7.6
69.96395	8.2
69.96819	4.2
71.01383	21.5
73.02954	4.7
80.74048	1.9
85.02952	4.7
87.00895	5.2
89.02436	22.8
95.01364	2.2
96.95992	18.8
98.20538	2.5
99.00883	3.0
101.02450	18.5
113.02466	11.7
116.92860	3.2
119.03469	3.9
125.02422	4.9
143.03456	2.9
161.04573	6.7
171.10214	2.9
179.05591	9.6
191.05615	5.4
209.11719	3.2
221.06575	3.7
225.89981	2.4
240.06937	2.2
277.21689	9.9
373.98505	2.3
385.14706	2.1
397.13812	3.7
411.41403	2.1
559.18701	100.0
559.27417	5.2
560.18915	8.7
577.19928	24.7
578.19958	3.5
741.03076	3.0
837.41718	16.7
838.41840	3.6
873.38739	27.7
874.38885	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	1.1
64.25687	0.4
67.01882	0.7
69.03447	1.0
71.01362	1.3
71.05008	1.0
71.63728	0.8
73.02915	1.0
80.02660	0.9
83.05029	1.1
85.02946	1.4
87.00870	0.9
87.04501	0.7
90.30141	0.5
93.03445	3.1
95.05029	0.8
96.96004	3.7
97.06579	1.7
101.69369	0.4
109.06574	1.2
111.04490	0.6
111.08159	8.6
113.06023	0.4
116.92834	1.1
121.02959	1.1
123.04517	0.5
123.08150	1.5
125.09718	13.6
126.10062	0.5
127.11275	5.5
135.08133	1.1
137.09700	4.2
139.11293	1.1
141.09193	1.6
141.50218	0.4
151.11282	2.8
153.09222	2.6
155.10762	2.4
157.12366	0.7
164.08429	1.4
164.97646	0.4
165.01961	0.8
165.09116	2.2
167.10751	0.6
169.12311	0.6
171.10262	8.3
173.04517	2.2
177.09132	0.4
183.10284	1.1
191.05608	6.1
195.10237	2.2
195.11977	0.4
197.11818	1.3
199.09724	1.5
199.13359	1.0
201.11304	37.5
202.11617	1.8
209.11862	0.6
211.13364	1.4
213.11296	25.7
214.11613	1.3
227.12912	1.1
237.14967	1.3
245.19128	1.4
250.12206	0.6
253.09253	0.9
271.16968	0.7
289.18082	9.7
290.18292	0.7
307.19141	20.8
308.19562	1.3
309.20673	0.8
325.20160	100.0
326.20486	7.5
545.20105	2.2
580.69110	0.5
597.45990	0.4
638.74396	0.5
819.39667	0.5
819.58624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.8
62.58230	0.3
69.25040	0.3
69.48447	3.0
71.01390	0.7
73.02942	0.7
78.95861	0.4
83.05055	0.4
84.02199	0.3
85.02937	0.6
85.06575	0.3
87.04538	0.3
96.96005	4.3
97.06586	0.9
98.20581	0.5
98.95672	0.3
113.09715	10.1
123.08172	1.0
125.06047	0.5
125.09715	5.8
127.11280	4.4
131.54668	0.4
135.08194	0.4
137.09711	1.5
139.11234	0.9
141.09219	1.3
151.11252	2.0
153.09203	1.5
155.10773	2.9
157.29234	0.3
165.09163	1.7
171.10275	5.7
173.04584	0.6
177.09250	0.6
183.10237	1.0
183.51335	0.3
191.05569	1.5
195.10283	2.3
199.09804	1.7
201.11302	43.0
202.11760	1.7
209.11864	0.8
213.11302	29.0
214.11760	0.7
218.06104	0.3
227.12854	0.8
291.19647	5.3
307.19492	0.4
309.20676	7.1
325.20187	0.5
327.21738	100.0
328.22101	6.9
438.78601	0.4
476.21655	0.4
565.82819	0.4
606.04724	0.5
632.15479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
65.90369	0.2
69.82693	0.2
88.30878	0.2
90.30874	0.2
98.20609	0.5
101.06075	0.2
545.27319	0.2
550.20886	0.2
604.87469	0.2
620.24567	0.2
857.78168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	0.7
69.03433	0.5
71.01374	7.7
72.47031	0.3
72.99307	0.7
73.02949	1.4
80.02657	1.1
81.03458	1.5
83.01375	1.1
83.05015	5.7
83.58129	0.3
84.02158	1.0
85.02955	2.2
87.00869	2.4
89.02434	7.2
93.03449	1.1
95.01382	0.4
95.04995	0.6
96.96003	2.2
97.02905	1.2
99.00864	0.9
101.02430	5.9
103.76150	0.3
107.17687	0.2
109.06578	0.4
111.04517	0.4
113.02433	3.2
115.03925	0.3
119.03490	2.0
119.14201	0.3
125.02428	2.5
125.06071	0.5
125.09706	0.4
131.03477	0.3
135.08119	0.6
139.03954	0.4
143.03470	1.2
149.04538	0.3
161.04509	1.5
163.11278	4.4
165.12823	2.4
169.06569	1.0
171.10223	0.5
173.04529	1.0
174.80034	0.3
179.05557	2.6
181.12344	0.5
191.05612	2.1
191.10809	1.4
207.10197	0.4
209.11801	100.0
210.12131	5.0
221.06570	0.7
225.11359	0.5
227.12863	16.8
228.13141	0.9
229.31819	0.3
235.08157	2.1
245.06606	0.4
247.13509	0.3
251.13017	0.6
253.09200	0.5
266.65677	0.3
278.20972	0.3
287.07755	1.1
305.08859	1.4
323.09735	0.5
373.92847	0.3
379.12329	4.0
397.13455	19.9
398.13760	1.2
415.14526	4.6
416.14853	0.4
449.14285	0.4
584.24103	0.3
589.24585	1.6
607.26007	2.8
608.26605	0.4
799.36804	0.7
817.39264	0.6
823.41620	0.3
850.72656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.276
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02380	0.5
65.00323	0.7
67.01856	0.4
69.54107	2.1
71.01365	1.1
73.02927	1.0
83.01392	0.7
85.02935	0.3
87.00864	0.4
89.02439	0.4
93.03455	2.1
101.02437	0.9
107.01384	1.8
108.02137	0.6
109.02924	1.8
111.04488	0.4
113.02464	0.4
119.01324	0.3
121.02927	2.3
125.02453	0.3
135.00804	0.4
137.02388	0.5
139.11249	0.5
148.01614	0.7
149.02454	0.5
151.00360	9.1
155.03516	0.4
163.00352	2.7
164.01143	0.5
169.01416	0.3
171.04523	0.3
173.04527	6.2
178.99843	4.5
187.04005	0.4
191.05537	0.6
192.00647	0.3
195.04376	0.3
199.04016	0.4
201.05537	0.4
211.03961	0.6
215.03323	0.4
226.02696	0.8
227.03406	1.9
229.05070	1.1
239.03488	0.5
242.76764	0.3
243.02919	4.8
243.12245	2.1
245.04593	1.5
254.02142	1.3
255.02931	14.8
256.03314	0.9
266.02185	0.3
271.02432	27.0
272.02957	2.0
273.04050	1.1
283.02390	1.1
297.04181	0.3
299.01990	0.3
300.02707	57.0
301.03448	43.7
302.03802	2.8
373.18686	0.6
417.17514	4.0
447.09256	100.0
448.09564	10.5
449.09949	0.5
643.05505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86155	0.4
63.02386	0.4
65.00328	0.7
67.01881	1.1
71.01389	1.5
72.06596	0.4
73.02941	1.0
81.03468	0.5
83.01369	0.6
83.05025	0.4
85.02945	0.4
87.89705	0.3
89.02412	0.5
93.03452	7.5
101.02427	1.1
107.01396	2.1
108.02170	0.7
109.02946	1.3
111.00877	0.4
111.04503	1.5
113.02464	0.5
121.02966	2.1
125.02417	0.4
125.27999	0.4
130.14148	0.3
137.02425	1.8
139.11259	1.3
148.01683	0.5
149.02399	0.4
151.00360	9.7
153.80330	0.3
155.03447	1.3
163.00313	2.7
164.01106	0.4
169.01436	0.6
173.04532	30.4
174.04861	1.0
178.99834	4.9
181.12363	1.0
183.10237	2.2
187.03976	0.5
191.05563	1.5
199.13383	1.2
203.03574	0.4
205.20798	0.3
211.04010	1.0
215.03352	0.4
225.11261	0.5
226.02765	0.4
227.03471	1.6
228.03906	0.4
229.05038	0.4
243.02945	4.8
243.12323	10.1
244.12669	0.5
245.04350	1.7
254.02333	1.0
255.02950	13.6
256.03293	1.1
266.02124	0.4
271.02444	26.8
272.02917	2.8
273.03964	0.7
281.16003	0.4
283.02475	1.2
299.01498	0.5
300.02725	57.9
301.03467	42.8
302.03860	3.0
417.17606	18.6
418.18127	2.0
447.09274	100.0
448.09650	10.4
449.09634	0.4
884.52734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.5
69.03451	1.3
70.14125	0.4
71.01376	16.3
71.63201	0.8
72.99310	1.4
73.02946	2.3
80.02672	1.1
81.03458	1.6
83.01389	1.7
83.05017	5.3
84.02177	1.0
85.02943	4.4
87.00874	4.0
89.02435	13.3
95.01360	0.8
95.05011	0.8
97.02942	3.5
99.00909	0.6
101.02437	11.2
102.02768	0.4
108.95254	0.4
109.02928	0.4
111.00862	0.4
111.04568	0.7
113.02453	6.6
115.03987	0.5
119.03503	3.1
121.02923	0.5
125.02448	6.0
125.06067	0.5
131.03500	0.7
133.05052	0.6
135.08148	0.6
143.03482	2.5
153.70523	0.4
161.04567	3.0
163.11258	3.9
165.12814	1.8
179.05597	3.9
181.12263	0.7
185.04663	0.4
185.53104	0.4
191.10793	0.9
209.11801	100.0
210.12143	5.8
217.07111	1.0
221.06549	0.9
227.12871	11.9
228.13257	0.6
235.08192	5.0
251.12808	0.5
253.09274	0.8
255.23264	55.9
256.23544	3.7
259.08087	0.5
263.23459	0.4
269.24814	0.7
287.07755	1.7
297.24283	0.6
305.08734	1.7
323.09976	1.0
379.12399	10.0
380.12878	1.0
384.00223	0.4
397.13446	41.4
398.13651	2.9
415.14563	8.1
505.77063	0.4
589.24951	0.8
607.25781	0.6
635.36719	0.6
653.37585	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	855.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	0.1
62.27147	0.1
67.01897	0.5
69.03453	0.2
71.01380	0.7
73.02959	0.1
81.03452	0.2
83.05030	0.3
85.02946	5.9
87.00871	1.4
89.02444	0.1
93.03456	3.5
94.03823	0.1
96.96000	0.6
99.00838	0.1
99.04520	0.3
99.08427	0.1
101.02454	0.2
109.02961	0.6
111.04518	1.0
113.02440	0.2
117.56802	0.1
117.99826	0.1
119.05001	0.7
125.02419	0.1
127.03999	1.7
145.02936	0.7
148.42226	0.1
155.03452	0.2
163.04025	1.2
171.02971	0.5
171.89853	0.1
173.04549	1.8
191.05595	100.0
192.05946	2.6
270.46747	0.1
303.09216	0.2
337.09262	30.6
338.09555	2.4
369.71622	0.1
447.84674	0.1
506.91467	0.1
886.67462	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	841.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	9.0
59.01381	100.0
61.98836	7.7
62.31686	10.1
73.02962	41.3
98.19848	20.8
99.92564	10.1
101.06075	31.1
110.90413	8.9
113.25073	8.6
116.92824	46.9
117.05596	13.0
117.92879	16.4
118.92673	11.7
119.76964	7.8
119.78096	8.5
226.06862	9.7
267.14737	9.9
293.21176	50.4
303.84317	10.2
529.30182	9.9
696.05414	9.6
841.48120	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	841.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01706	1.0
61.98817	1.9
68.99818	0.9
69.03454	2.7
70.64399	0.8
71.01374	36.2
71.63196	1.1
72.99298	2.7
73.02942	10.1
81.03442	2.6
83.01376	8.2
85.02943	23.8
87.00864	5.7
89.02452	8.0
93.03462	4.0
95.01374	5.5
96.96002	10.7
97.02928	6.7
99.00864	5.1
99.92580	1.2
101.02429	23.6
109.02937	1.0
109.06573	1.0
111.00871	3.7
111.04492	1.8
112.01661	1.6
113.02438	23.6
115.04001	1.1
116.92856	9.8
117.01912	1.2
119.03503	3.3
120.49663	0.9
124.01644	3.7
125.01515	0.9
125.02429	15.7
129.01904	0.9
135.04500	1.2
141.01849	1.2
143.03490	6.2
148.28636	0.8
151.60518	0.9
155.03406	1.3
159.02986	2.1
161.04498	2.4
171.13803	2.1
173.04561	4.6
191.05595	7.1
204.77017	0.8
279.23120	1.6
297.23856	1.2
299.25775	4.7
345.30057	9.3
346.30276	1.1
449.14081	1.5
489.34351	10.9
507.35324	7.9
597.36462	2.6
615.37347	2.9
633.38507	44.6
634.38806	7.2
651.39508	72.8
652.39825	10.4
669.40515	18.2
670.40381	2.2
693.40613	33.0
694.40656	5.8
711.41632	40.2
712.41943	7.2
753.42432	7.4
754.42401	1.7
841.37891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01696	1.8
61.98808	2.8
69.03452	2.5
70.06413	6.6
71.01379	40.0
72.75839	1.4
72.99297	2.5
73.02930	9.3
78.95901	2.1
79.95726	1.7
81.03441	1.7
83.01369	7.2
83.05035	1.9
85.02943	21.3
85.64323	1.3
87.00860	5.0
89.02424	7.2
93.03445	3.5
95.01373	5.6
96.96006	38.4
96.96926	1.9
97.02932	4.5
98.95570	5.1
99.00856	3.4
101.02433	21.8
111.00880	3.0
111.04502	1.7
112.01636	2.3
113.02439	21.1
116.92846	4.1
119.03508	3.0
124.01625	3.0
125.02439	13.6
143.03487	6.0
155.03448	1.2
159.03001	2.5
161.04518	3.6
171.10202	2.5
173.04503	5.7
185.11397	1.1
189.78535	1.2
191.05537	7.5
204.85025	1.3
209.11786	5.5
210.12120	2.4
251.68570	1.4
263.27875	1.2
279.23178	3.1
343.28311	6.9
487.32733	12.4
505.34003	7.7
583.35132	1.8
595.35242	1.7
613.36127	1.9
631.36969	38.7
632.36914	6.0
649.37982	67.3
650.38464	11.7
667.39063	17.4
668.39374	2.8
691.38977	25.0
692.39111	5.0
709.40167	35.4
710.40320	5.3
751.41431	4.0
868.21246	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	839.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
65.00301	0.7
69.65610	1.8
71.01357	0.5
83.01375	0.7
93.03435	0.5
95.01373	0.4
96.95997	1.0
107.01364	2.6
108.02144	0.4
109.02956	1.6
119.01348	0.5
119.48316	0.3
121.02908	1.5
135.00850	0.7
148.01582	0.6
151.00352	10.2
152.00732	0.3
159.04533	0.3
161.64505	0.3
162.93396	0.3
163.00369	2.4
164.01131	0.5
173.05826	0.3
178.99835	5.0
180.00232	0.3
183.04509	0.3
187.03920	0.5
190.99895	0.6
191.05573	0.8
192.00656	0.4
193.01305	0.4
199.03876	0.5
201.05573	0.4
203.03465	0.3
211.03996	1.1
215.03491	0.4
216.04170	0.3
225.91624	0.3
225.99007	0.3
226.02655	0.5
227.03473	2.4
229.04951	0.5
239.03546	0.5
243.02936	4.9
244.03572	0.5
245.04477	1.7
254.02159	1.2
255.02954	14.4
256.03500	0.8
271.02435	25.1
272.02963	2.3
273.03912	1.0
283.02466	1.1
299.01956	0.9
300.02707	58.3
301.03455	45.0
302.03775	3.1
321.06766	0.3
347.17276	0.3
387.49472	0.3
447.09256	100.0
448.09622	11.0
644.10809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98661	0.1
61.98824	100.0
62.98531	0.1
63.41969	0.1
71.49290	0.2
74.27615	0.1
74.96305	0.1
80.96519	0.2
82.28047	0.1
96.87640	0.1
135.80247	0.1
157.49789	0.1
267.55594	0.1
278.22070	0.1
279.22614	0.1
488.21454	0.1
534.43292	0.1
707.48553	0.1
837.48547	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	837.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
59.98510	0.4
61.98809	0.4
67.01881	0.3
69.03450	3.0
71.01385	1.7
71.05013	0.4
71.62733	0.3
73.02934	0.5
78.95904	0.3
81.03439	0.4
83.05017	1.0
85.02920	0.4
87.00815	0.2
89.02444	1.0
93.03433	0.8
93.07080	0.3
95.05014	0.8
96.96020	0.3
97.06570	0.7
101.02421	1.1
107.08667	0.6
109.06573	0.5
111.08133	0.8
113.02417	0.6
119.05023	0.6
119.08654	6.1
120.08994	0.4
121.06542	0.5
121.10200	0.9
125.09727	1.6
127.07677	0.4
135.08142	0.8
137.09706	11.7
138.10065	0.5
139.11249	0.6
149.09732	0.5
151.11288	1.4
153.09198	0.7
153.12834	0.3
155.10773	0.4
161.04492	0.8
163.11220	0.5
165.09274	0.3
171.10249	22.5
172.10573	0.9
177.12825	3.5
179.14305	0.3
183.10234	0.7
185.11792	1.2
195.13879	0.5
197.11775	1.9
203.14362	1.0
205.15895	0.4
209.11801	0.7
211.13391	1.3
229.19531	1.3
231.17537	0.6
235.08073	0.3
245.19165	0.4
247.20667	0.8
253.09270	4.7
254.09639	0.4
263.20169	0.4
273.18561	6.4
274.18967	0.3
277.21683	27.0
278.22046	2.3
291.19641	10.8
292.19916	0.8
305.21188	7.4
306.21448	0.8
309.20810	1.4
323.22220	100.0
324.22568	8.6
520.98627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.5
59.01374	12.5
67.01883	0.2
69.03455	0.7
71.01376	10.1
71.05031	0.2
71.29130	0.2
71.63028	0.1
72.01700	0.2
72.35196	0.2
72.99303	0.9
73.02934	2.2
79.95741	0.2
80.02672	1.5
81.03460	1.7
83.01387	1.3
83.05016	5.8
83.05522	0.3
84.02153	1.0
84.72840	0.2
85.02942	2.5
87.00867	2.2
87.04539	0.2
89.02436	8.1
93.03443	0.7
95.01370	1.0
95.05039	0.8
96.96005	4.9
97.02922	1.1
97.06564	0.2
99.00880	0.7
101.02436	8.0
103.03866	0.2
109.02997	0.2
109.06579	0.3
111.04504	0.4
111.08137	0.2
113.02433	5.2
115.04000	0.3
119.03504	2.3
121.06591	0.2
125.01606	0.3
125.02441	3.3
125.06073	0.5
125.09718	0.3
127.04005	0.3
131.03464	0.5
135.04498	0.3
135.08151	0.7
137.02463	0.2
137.23004	0.1
139.03972	0.3
141.01877	0.3
143.03490	1.7
149.04558	0.2
151.00424	0.2
159.02797	0.2
161.04547	2.0
163.11269	4.3
165.12822	2.7
167.03452	0.2
171.10242	0.9
173.04510	0.6
179.05589	2.3
181.12302	0.7
191.05600	1.4
191.10774	1.2
199.13301	0.4
203.05620	0.2
207.10318	0.3
209.11801	100.0
210.12131	5.4
210.14174	0.3
217.07074	0.2
221.06578	0.8
223.13441	0.3
227.12857	14.8
228.13240	0.8
235.08186	2.3
238.20581	0.2
247.13434	0.8
251.12912	0.3
253.09306	0.5
263.07687	0.3
265.14517	0.2
287.07617	0.7
305.08704	1.1
323.09860	0.5
379.12405	2.5
380.12338	0.2
397.13464	19.0
398.13831	1.6
401.23340	0.3
409.81100	0.2
415.14520	5.0
416.14890	0.4
419.24765	0.2
430.16275	0.2
469.29657	0.9
509.61926	0.2
530.68280	0.2
589.25140	0.5
607.26031	1.4
627.33795	0.3
645.34888	0.7
663.35535	0.3
687.35590	0.5
705.36780	0.9
799.37537	0.7
817.37946	0.4
835.40204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.5
59.01376	9.0
60.16887	0.1
61.70088	0.1
67.01884	0.2
69.03439	0.4
69.25935	0.3
69.26340	1.1
70.37951	0.1
71.01375	8.8
72.99293	0.6
73.02945	1.6
80.02668	1.3
81.03452	1.7
81.69272	0.1
83.01365	1.1
83.05017	5.7
84.02154	0.9
85.02942	1.9
87.00868	1.9
87.04480	0.2
87.49184	0.1
89.02435	7.5
93.03436	0.7
93.97610	0.2
95.01392	0.5
95.05016	0.8
96.96004	5.2
97.02943	1.1
97.06584	0.2
99.00868	0.5
99.04527	0.2
99.43974	0.1
101.02432	6.3
109.06559	0.3
111.00888	0.2
111.04525	0.3
111.08154	0.2
113.02441	4.1
114.02700	0.2
119.03482	2.2
121.02972	0.3
123.00903	0.2
124.01644	0.2
125.02433	3.1
125.03291	0.3
125.06050	0.5
125.09653	0.1
127.03959	0.2
131.03514	0.4
133.05075	0.3
135.08141	0.6
137.02364	0.2
141.01961	0.3
143.03485	1.3
147.11810	0.2
149.04436	0.3
155.03470	0.2
161.04532	1.8
163.11276	4.2
164.11549	0.2
165.12837	2.4
167.03424	0.3
171.10249	0.7
173.04581	0.4
179.03458	0.2
179.03925	0.2
179.05594	1.7
181.12317	0.6
191.05612	1.0
191.10735	0.9
192.06020	0.2
199.06140	0.2
207.10255	0.2
209.11798	100.0
210.12131	5.3
217.07097	0.4
221.06677	1.0
227.12849	14.7
228.13135	0.7
235.08180	2.3
239.45493	0.2
247.13428	0.6
251.12820	0.4
253.09245	0.4
259.08224	0.2
263.07736	0.3
265.14496	0.3
287.07703	0.8
305.08841	1.0
323.09747	0.5
379.12442	2.8
380.12686	0.2
397.13440	19.4
398.13745	1.6
401.23087	0.2
415.14508	5.4
416.15167	0.2
469.29568	3.1
470.29681	0.5
497.20288	0.2
589.24634	0.5
607.25958	1.4
608.26306	0.3
645.35107	0.2
705.36353	0.2
799.37347	0.9
817.39380	0.3
835.39056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
59.64354	0.1
59.95619	0.1
61.98816	0.2
71.01363	0.6
71.62862	0.1
78.95894	1.9
79.95734	3.8
85.02927	0.2
87.00864	0.1
89.02427	0.3
93.03447	0.3
96.96003	100.0
97.95924	0.3
99.00893	0.1
101.02398	0.3
171.10248	0.2
173.04510	0.3
191.05591	0.6
193.36595	0.1
207.10255	0.2
209.11784	1.0
211.13448	0.2
225.11351	0.2
227.12845	0.3
299.88919	0.1
397.13351	0.3
415.14230	0.1
597.84802	0.1
835.38666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.3
59.01376	100.0
60.01717	1.0
61.70142	0.2
69.03456	0.4
71.01378	14.3
71.63320	0.4
72.99311	0.5
73.02943	11.1
76.35220	0.2
79.92280	0.2
82.61848	0.2
83.01386	3.8
85.02942	3.9
87.00903	0.5
89.02444	3.2
93.03449	0.3
95.01394	0.8
96.95982	0.5
99.00893	0.7
101.02438	14.5
104.15945	0.2
109.02959	0.3
113.02444	7.0
119.03504	2.0
125.02470	0.7
125.86861	0.2
126.36119	0.2
131.03517	1.0
134.03798	0.3
137.02405	0.3
143.03510	1.6
147.63361	0.2
149.04556	2.0
159.03006	0.4
161.04543	6.3
161.05841	0.4
173.04562	0.7
175.04016	0.3
179.05560	0.3
189.12807	0.6
191.05634	1.0
203.05685	0.7
207.13962	0.4
208.02417	0.2
221.06688	1.4
256.41684	0.3
258.95294	0.3
269.10278	4.0
294.79868	0.2
311.11340	3.4
369.19150	0.4
387.20291	2.3
424.16852	0.3
429.21292	5.4
430.21915	0.5
473.16748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.6
63.02385	0.3
65.00309	0.7
67.93250	0.3
70.04747	1.0
71.01378	0.6
73.02917	0.3
82.22126	0.3
83.01397	0.6
85.02921	0.5
93.03444	0.7
96.96053	0.3
100.22105	0.3
101.02447	0.9
101.61893	0.3
107.01360	1.6
108.02174	0.9
109.02953	1.1
121.02938	1.0
133.06900	1.4
135.00914	0.5
135.06538	0.3
148.01680	0.8
151.00357	7.5
161.02411	0.4
161.04587	0.3
163.00406	1.5
164.01143	0.5
168.62253	0.3
173.03064	0.3
173.04521	0.9
178.98430	0.3
178.99873	4.0
183.04460	0.4
187.04002	0.3
191.05600	2.0
199.03951	0.5
201.05568	0.4
211.03979	0.7
226.02724	0.6
227.03465	1.9
229.05043	0.3
232.45337	0.3
243.02956	5.9
244.03503	0.5
245.04492	0.8
254.02138	0.8
255.02951	15.6
256.03293	0.9
263.09622	0.5
271.02441	33.3
272.02814	3.1
273.03995	1.0
279.14374	0.4
283.02493	0.8
299.02054	0.7
300.02716	70.1
301.03445	34.4
302.03958	2.3
463.08765	100.0
464.09067	11.0
829.30267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	2.1
61.98788	3.0
65.03965	0.7
69.03417	1.6
71.01318	0.8
71.04987	1.2
71.19476	1.7
78.95894	12.1
83.04989	1.2
88.98787	1.5
89.02423	1.3
93.07074	1.6
95.04985	0.7
95.96122	1.6
96.96922	2.5
97.06590	4.4
106.92194	0.7
110.85049	0.7
111.08107	0.8
113.78259	0.7
118.76283	0.6
119.08665	8.7
121.10227	12.6
122.98459	1.4
123.08103	3.3
125.00021	1.6
125.09703	11.4
127.07549	0.7
137.09663	1.7
141.12801	1.3
147.08160	1.0
151.01596	0.8
152.99577	4.7
165.12747	1.0
168.04356	1.2
171.10260	16.0
177.12659	0.7
180.53120	0.7
185.11803	24.2
186.12140	1.0
193.15799	1.0
197.11832	5.5
209.11792	3.0
211.13344	2.5
223.13399	1.4
229.19566	5.1
242.07976	3.2
247.13522	0.9
247.20686	4.4
260.90436	0.7
273.18561	8.6
274.18820	1.2
275.20178	5.1
276.20367	0.8
279.23245	100.0
280.23538	8.0
289.18188	0.9
291.19620	98.3
292.19955	7.3
308.87357	0.9
309.17343	1.1
309.20639	6.9
430.90646	0.8
433.23593	1.1
459.25061	0.9
460.26031	1.5
485.13806	0.9
504.30899	38.6
505.31284	4.2
660.49249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.4
59.01374	100.0
60.01720	1.3
69.03457	0.4
69.47552	1.8
71.01377	10.5
72.99332	0.2
73.02941	3.2
83.01382	1.1
83.05032	0.2
83.27457	0.2
85.02946	3.0
85.67510	0.2
87.00890	0.2
89.02432	4.3
91.52184	0.2
93.03492	0.3
95.01414	0.5
97.02959	0.3
99.00887	0.9
101.02428	5.8
106.06596	1.2
107.07013	0.3
111.99479	0.2
113.02434	4.1
118.81718	0.2
119.03479	1.6
125.02421	0.3
131.03580	0.4
135.04541	0.3
143.03491	1.1
149.04561	0.9
150.05646	0.6
152.99593	0.6
159.03009	0.4
161.04549	3.4
173.04553	0.7
179.05600	1.1
191.05650	0.8
194.04536	1.5
195.04982	0.5
203.05560	1.7
209.15424	0.5
221.06680	0.7
305.29453	0.2
351.35837	0.2
369.10468	0.3
371.20654	2.1
409.50406	0.3
413.21771	5.7
413.27002	0.4
414.22083	0.4
447.09470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
61.98825	1.9
68.16785	0.9
69.03438	1.5
71.01353	1.9
71.05012	1.0
71.63224	1.4
78.95893	8.0
80.02660	2.0
81.03461	5.8
82.95400	1.7
83.01388	9.3
83.05009	3.6
84.00884	1.0
95.05000	2.8
97.02952	4.4
97.06580	7.9
106.04204	1.5
109.06582	2.1
121.06559	1.1
123.04472	6.5
123.08130	3.6
125.06062	1.7
125.09707	12.0
135.08147	3.2
137.05989	1.5
137.09705	7.5
141.12817	2.2
142.02742	1.8
149.06068	2.6
152.99559	2.2
153.12886	1.0
161.09674	1.6
163.07585	1.7
163.11285	15.2
165.12790	3.8
167.10709	2.0
168.04314	1.4
171.10255	2.5
173.09689	1.0
177.12770	1.2
179.10712	2.1
181.12329	3.7
185.11804	11.9
191.10783	4.4
191.14403	12.6
192.14674	1.1
207.10257	8.9
209.11812	87.6
210.12140	3.6
211.13403	0.9
217.15903	1.3
224.06897	1.4
225.11293	7.3
226.11954	1.2
227.12758	1.2
227.18013	0.9
242.07982	2.0
245.19086	28.1
246.19281	1.3
247.16933	1.4
253.15675	0.9
261.18292	1.0
263.20102	1.9
271.16998	2.2
277.21704	90.8
278.21951	5.5
289.18076	100.0
290.18347	7.2
307.19122	97.3
307.21835	1.4
307.22906	1.4
308.19467	8.9
310.72415	1.0
423.45691	1.2
502.29355	45.2
503.29773	3.9
631.87219	0.9
712.70374	1.0
736.07336	1.2
749.93640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	24.3
61.98835	73.4
69.79131	43.6
69.79543	25.8
71.01382	26.4
78.95924	14.3
80.96454	14.6
96.95996	55.4
119.83907	11.3
152.45898	11.5
171.10222	16.6
191.05534	16.6
197.11768	14.9
199.09708	26.7
201.11136	13.4
207.10208	17.8
209.11842	100.0
225.11285	20.2
227.12825	31.9
231.04524	13.8
244.34134	13.1
253.09161	20.8
281.36185	15.3
291.19501	16.9
309.20572	56.2
555.00928	13.5
667.43018	14.0
823.42163	58.7
824.43488	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	821.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
58.00599	1.2
59.01377	100.0
60.01716	1.3
61.98829	1.6
67.01907	0.5
69.03444	0.7
71.01381	43.4
71.05072	0.5
71.63020	0.6
72.01729	0.4
72.99323	2.6
73.02947	17.4
75.00858	1.0
79.95737	1.1
81.03465	0.7
83.01376	5.8
85.02947	15.8
87.00873	3.8
89.02441	19.5
93.03468	0.7
95.01390	3.6
96.96010	19.0
97.02975	1.4
98.95612	1.4
99.00895	2.1
101.02438	22.6
113.02444	32.1
114.02771	0.6
119.03496	6.4
124.01619	2.3
125.02429	3.7
131.03505	1.4
143.03499	4.2
149.04587	1.5
151.00395	0.5
155.03540	0.6
161.04556	9.3
171.10291	0.6
173.04578	1.0
179.05621	4.4
191.05623	2.1
203.05574	1.3
209.11877	2.0
221.06725	0.7
252.26836	0.4
310.53070	0.5
323.09888	0.5
327.21823	0.6
332.76764	0.4
397.28149	0.4
451.30911	0.5
469.31546	3.1
487.32935	0.6
577.34119	1.1
595.34967	1.1
613.35889	9.8
613.45148	0.8
614.36737	1.6
631.36926	28.6
632.37146	5.3
649.37982	8.5
650.39056	1.7
673.37878	11.4
674.37854	2.1
691.38971	18.3
692.39233	4.0
733.40125	2.8
734.41235	1.1
821.38214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.00586	1.3
59.01375	100.0
60.01715	0.9
61.98843	0.6
69.03443	0.9
71.01379	42.5
71.63068	0.7
72.01736	0.6
72.99313	2.0
73.02943	18.1
74.03301	0.8
74.62386	0.5
78.95898	0.6
79.95768	0.7
80.43869	0.6
83.01390	6.5
84.72970	0.5
85.02943	14.2
85.03432	0.7
86.03304	0.5
86.68575	0.5
87.00880	3.3
88.55110	0.5
89.02441	20.1
89.02988	1.1
93.03456	0.9
95.01369	4.0
96.96005	16.1
97.02978	1.1
98.95613	1.0
99.00905	1.8
101.02441	22.3
111.00912	0.7
113.02443	30.1
114.02785	1.2
119.03503	7.4
124.01692	1.5
125.02441	4.3
131.03517	2.4
143.03499	4.6
149.04576	1.8
155.03520	1.0
161.04555	10.4
171.10387	1.1
173.04532	1.0
179.04163	0.7
179.05562	3.9
191.05640	2.7
203.05644	1.5
209.11876	1.4
244.25392	0.6
288.22366	0.5
469.31558	3.7
470.32477	0.7
487.33087	0.7
516.97247	0.5
595.35425	1.4
613.35901	11.3
614.36841	1.8
631.36926	33.6
632.37341	6.1
649.37891	10.5
650.38666	2.1
673.26202	1.1
673.37860	12.9
673.48840	0.8
674.38171	3.0
691.39038	21.0
692.39490	3.3
727.81781	0.7
733.39972	3.1
734.40582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
69.82944	0.7
71.01387	0.1
76.51997	0.1
79.95729	1.4
85.02934	0.3
93.03459	0.3
96.96001	100.0
97.95938	0.4
118.16496	0.1
122.06251	0.1
142.03902	0.1
166.82570	0.1
173.04710	0.3
191.05605	1.4
192.05910	0.2
199.70108	0.1
219.06891	0.1
244.86760	0.1
303.09033	81.3
304.09360	5.6
334.47549	0.1
538.84589	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
60.99303	0.7
61.44893	0.5
65.00341	0.8
67.01891	3.3
71.01372	3.8
71.62873	0.6
73.02915	0.6
76.66814	0.5
76.76830	0.5
76.80146	0.4
83.01396	1.2
83.05062	0.6
85.02939	1.2
87.00895	1.2
93.03449	22.1
94.03821	1.1
95.21432	0.4
96.95982	2.7
102.67817	0.5
107.01368	1.4
108.02195	0.8
109.02946	1.3
111.00874	0.9
111.04517	4.2
119.05016	0.8
120.37727	0.5
121.02955	1.9
121.10227	0.6
122.17529	0.5
127.04034	0.7
135.04535	1.2
137.02423	4.0
138.80923	0.5
148.01697	0.5
151.00348	5.7
155.03468	3.7
157.52820	0.5
157.54276	0.5
161.02524	1.0
163.00360	0.9
164.01143	0.7
173.04526	76.8
174.04881	2.5
178.99854	3.0
183.10260	5.5
191.05597	7.0
192.05994	0.6
211.03896	0.6
227.03424	1.2
243.02982	4.8
254.02142	1.3
255.02934	13.9
256.03375	1.1
271.02444	31.4
272.02921	2.6
299.01913	0.8
300.02713	66.6
301.03409	27.1
302.03763	1.8
323.16162	0.7
357.15521	34.7
358.15826	2.2
358.19785	0.7
463.08759	100.0
464.09152	10.3
639.41974	0.6
707.15967	0.5
821.24280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.1
61.98826	100.0
62.98538	0.1
71.01389	0.2
78.98612	0.1
79.95743	0.3
80.96513	1.5
85.02959	0.1
87.00907	0.1
91.84997	0.1
94.98088	0.3
98.19758	0.2
122.97565	0.1
146.37233	0.1
148.99165	0.1
152.98589	0.1
164.98680	0.3
206.99593	0.1
209.11807	0.2
225.00764	0.3
229.42493	0.1
258.26254	0.1
269.15823	0.1
274.07086	0.1
289.17642	0.1
293.21350	0.1
307.19293	0.1
461.70157	0.1
492.91953	0.1
520.90906	0.1
677.89612	0.1
790.70343	0.1
819.41986	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01702	1.0
60.52132	0.4
61.98824	50.1
69.90900	1.7
71.01379	2.4
73.43153	0.4
73.74008	0.4
74.00745	0.5
78.95907	0.5
80.96502	1.2
85.02979	0.5
87.00883	0.5
89.01942	0.5
89.02451	1.5
96.99292	1.1
97.02954	1.0
98.20592	0.9
99.00896	0.6
101.02466	1.8
113.02452	0.9
125.02431	1.0
127.04015	0.5
141.01694	52.8
142.02101	0.9
142.05017	0.5
186.56987	0.4
196.02808	0.4
197.11786	0.6
235.08099	0.5
277.21692	5.0
359.22119	4.1
360.22351	0.7
397.13437	11.5
397.18292	0.8
398.14011	1.0
415.14548	2.2
419.11633	2.1
437.12775	3.6
524.84436	0.4
675.36060	0.8
697.33734	2.7
698.33978	0.6
817.50104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98826	89.5
62.98531	1.3
70.67155	0.5
71.01374	2.4
73.72135	0.6
74.68264	0.5
80.96501	2.8
84.23844	0.6
85.02935	1.3
86.41185	0.7
89.02441	2.0
96.99295	4.3
97.02936	1.6
101.02419	1.9
113.02441	0.8
119.05559	0.6
125.02421	1.1
141.01695	55.3
142.02003	1.6
142.05058	1.5
160.00984	0.6
203.64018	0.7
277.21625	4.6
278.21994	0.7
336.24335	0.8
359.22003	4.5
360.22101	1.0
397.13550	12.0
398.13046	0.8
415.14200	2.6
419.11176	2.2
437.12711	4.1
641.45361	0.7
675.35785	1.3
697.33582	3.3
817.49048	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	817.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
63.02383	0.6
65.00323	1.1
71.01369	0.5
71.63054	0.1
73.02941	0.4
83.01379	0.9
91.01875	0.3
93.03452	0.5
96.09641	0.1
101.02431	0.4
107.01378	2.5
108.02167	0.8
109.02945	1.5
119.01335	0.2
119.26785	0.1
121.02950	1.9
122.45930	0.1
124.01649	0.2
125.02412	0.2
135.00879	0.7
136.92624	0.1
139.03978	0.2
143.04984	0.1
147.00940	0.2
148.01671	0.8
149.02408	0.4
151.00352	11.1
152.00717	0.2
159.04489	0.4
161.02409	0.2
163.00368	2.6
163.04065	0.1
164.01060	0.4
167.05023	0.2
169.01404	0.4
171.04491	0.2
173.04541	0.4
178.99838	5.3
180.00230	0.3
183.04486	0.3
185.06004	0.2
187.03955	0.3
188.04681	0.1
190.99797	0.3
191.05571	0.4
192.00595	0.3
193.01349	0.2
199.03928	0.4
201.05478	0.4
203.03435	0.3
211.03961	1.1
212.04504	0.1
213.01797	0.2
213.05473	0.2
215.03491	0.4
226.02649	0.6
227.03496	2.0
228.04048	0.3
229.05038	0.9
239.03439	0.4
243.02951	5.2
244.03459	0.4
245.04472	1.6
254.02156	1.1
255.02950	15.6
256.03415	1.2
257.04327	0.3
266.02081	0.3
268.01965	0.1
271.02435	28.2
272.02856	2.9
273.03918	1.4
283.02383	1.4
284.03003	0.2
299.02130	0.7
300.02713	59.2
301.03448	46.7
301.07162	0.2
302.03830	3.2
335.73557	0.1
447.09253	100.0
448.09583	11.9
552.84399	0.2
617.81354	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
60.22348	0.2
61.98826	100.0
71.01376	0.2
71.63183	0.2
78.95899	0.3
79.95737	0.3
80.96503	1.8
94.98103	0.4
96.96045	0.2
116.92933	0.3
141.01726	0.3
171.10214	0.2
190.09532	0.2
191.05688	0.4
207.81331	0.2
208.10623	0.3
209.11760	0.3
211.91376	0.2
321.24591	0.2
354.93298	0.2
367.03140	0.2
816.50024	1.3
817.49915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.53260	0.2
63.02391	0.6
65.00313	0.8
69.44345	1.2
69.44765	0.4
71.01382	0.2
73.02940	0.4
83.01387	0.9
85.96061	0.2
89.27615	0.2
93.03432	0.5
101.02419	0.5
107.01380	2.4
107.68799	0.2
108.02151	0.8
109.02950	2.0
119.01382	0.3
121.02943	2.2
125.02423	0.5
131.76328	0.2
135.00842	0.4
148.01646	1.0
149.02429	0.2
151.00352	10.0
152.00790	0.3
159.04485	0.4
163.00359	3.0
164.01112	0.5
167.04962	0.3
169.01416	0.5
173.04480	0.3
173.05992	0.2
178.99849	5.3
183.04489	0.3
187.03972	0.5
190.99840	0.3
191.05548	0.3
192.00639	0.4
199.03891	0.5
201.05515	0.5
203.03539	0.3
211.03932	1.1
215.03610	0.2
226.02658	0.8
227.03477	2.0
228.04059	0.3
229.04955	0.9
239.03392	0.6
240.04164	0.2
243.02959	4.9
244.03503	0.4
245.04483	1.5
254.02161	0.7
255.02954	14.5
256.03259	1.2
271.02441	26.3
272.02881	2.7
273.04004	1.1
283.02405	1.3
284.03027	0.2
299.01959	0.5
300.02713	56.0
301.03467	42.7
302.03836	3.3
318.00375	0.2
447.09265	100.0
448.09564	12.6
615.36176	0.2
753.95862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18076	0.2
59.01376	0.8
61.98824	100.0
68.72095	0.2
69.63573	1.2
71.01371	0.3
75.34485	0.2
78.95914	0.3
79.95745	0.5
80.96503	1.7
83.41387	0.2
87.00818	0.2
94.49100	0.2
94.98045	0.3
96.96008	0.6
97.74571	0.2
98.20620	0.2
104.76549	0.2
106.23012	0.2
116.24364	0.2
124.14308	0.2
135.55963	0.2
141.01776	0.2
155.85471	0.2
159.61693	0.2
164.98657	0.4
191.05562	0.2
200.01120	0.3
209.11888	0.3
234.39429	0.2
309.20493	0.2
753.31866	0.4
815.49542	0.3
816.49915	1.3
817.49677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.98819	3.0
69.84977	1.4
69.85393	1.7
71.01364	2.6
72.44868	0.5
73.02924	1.9
75.12714	0.5
78.82005	0.6
78.95890	7.8
80.02652	1.3
80.96515	0.8
81.03447	0.6
83.05016	3.9
84.02163	0.6
85.02941	0.8
89.02427	1.6
96.96947	1.9
97.88409	0.5
101.02426	2.4
101.06120	0.8
107.94188	0.5
109.06635	0.6
111.08197	0.6
113.02422	1.4
113.47838	0.5
121.70044	0.6
135.08185	0.5
152.99571	1.8
155.10815	0.7
155.94441	0.6
161.04491	0.9
163.11230	3.4
165.12837	1.6
169.04991	0.6
171.10274	4.2
181.12379	0.7
185.95213	0.5
191.10838	0.9
201.11258	0.7
209.11797	100.0
210.12144	6.6
227.12863	10.4
235.08214	1.4
241.01178	4.0
253.09206	6.9
255.23299	4.0
259.15567	0.8
261.88156	0.6
277.21677	52.9
278.22000	5.0
445.20618	4.1
445.26257	0.8
513.30658	0.7
618.09143	0.6
725.38831	3.0
797.40771	5.1
798.41083	1.6
815.41357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
57.43001	0.3
59.01369	1.4
63.96237	2.6
64.97012	0.4
69.03452	0.7
70.16923	1.2
71.01374	10.0
72.58203	0.3
72.90282	0.3
72.99282	0.6
73.02946	2.0
78.95898	0.8
78.98584	7.5
79.95731	17.1
80.96509	100.0
81.03449	1.2
81.51326	0.3
83.01386	0.5
84.78229	0.3
85.02944	3.8
87.00873	3.6
94.98079	22.1
95.01408	0.4
96.96001	1.6
97.02931	1.8
99.00865	0.8
101.02431	3.1
106.98075	4.9
122.97570	4.7
125.02419	3.9
126.02797	0.3
127.03995	1.3
134.97565	6.7
136.99129	1.4
148.99123	7.2
149.46707	0.3
152.98605	6.9
164.98611	14.2
167.00203	0.7
171.15712	0.3
179.00113	0.4
188.98602	0.4
206.99655	3.1
225.00711	18.4
226.00914	0.7
239.23311	0.3
255.23259	2.3
277.21658	1.3
537.27380	1.3
552.77924	0.4
559.25446	1.6
815.49719	83.4
816.50037	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	809.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	78.2
66.40730	37.6
71.48743	63.7
72.52073	41.0
184.70282	40.9
277.21698	100.0
304.12894	36.4
613.48468	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	813.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.2
61.98819	15.1
69.75563	5.3
69.75967	9.6
71.01385	8.2
72.99281	2.7
81.03454	3.0
82.90188	2.3
83.05007	7.0
85.02954	3.4
87.00836	2.8
88.98845	3.7
89.02454	6.9
90.06346	2.2
93.03474	2.9
96.95985	10.3
97.02930	10.1
97.06562	3.4
98.20676	5.0
101.02427	9.4
109.06580	28.5
111.04510	2.9
111.08151	3.1
113.02462	6.2
116.97186	2.1
123.04538	2.8
125.09823	3.3
126.74277	2.6
135.08144	4.5
147.80984	2.5
161.04518	3.6
161.09682	3.3
163.11288	25.4
165.12799	5.2
171.10158	3.7
181.12267	6.2
185.11844	3.3
191.05768	3.5
197.11830	24.5
205.69365	2.6
207.10240	89.4
208.10580	4.3
209.11812	100.0
210.12128	8.0
211.13361	3.9
225.11293	34.3
227.12833	10.9
235.08174	10.2
245.19098	5.5
253.09271	27.8
263.20129	4.6
289.18051	33.0
290.18393	3.1
291.19629	23.4
295.23001	3.0
299.14969	2.7
307.19073	27.5
309.20679	65.4
310.21030	5.8
332.00375	2.4
443.18900	7.5
461.20303	10.0
499.05267	2.7
513.74585	2.5
545.29657	2.6
753.40601	37.0
754.40997	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	809.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
58.00585	0.2
59.01376	1.8
59.84182	0.1
60.99297	0.7
67.01884	4.5
69.03453	0.9
71.01379	3.1
73.02927	0.2
74.66289	0.1
81.03456	0.8
83.01370	0.2
83.05029	1.3
85.02946	0.6
85.06577	0.2
87.00876	0.4
93.03450	25.9
94.03781	0.9
96.96001	2.4
98.19807	0.4
99.00890	0.4
101.02386	0.2
107.01347	0.2
109.02943	1.0
111.00891	1.0
111.04516	4.7
113.02450	0.4
115.03977	0.2
121.10237	1.1
127.04021	0.5
129.01970	0.1
132.04529	0.4
133.06915	0.4
134.82756	0.1
137.02435	5.0
138.02782	0.2
139.11276	1.1
141.36302	0.1
151.00452	0.2
155.03484	5.1
156.03830	0.2
165.04384	0.2
169.40034	0.2
173.04529	100.0
174.04854	3.1
183.10236	7.8
184.10623	0.3
190.24501	0.1
191.05582	1.1
229.94864	0.2
257.12872	0.3
271.02493	0.2
300.02896	0.3
301.11954	0.2
345.10944	1.2
357.15506	43.0
358.15826	3.8
371.98477	0.1
463.08768	0.3
780.21313	0.2
790.95850	0.2
798.92572	0.2
839.91809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64314	10.8
59.01373	13.2
61.98824	73.4
62.14103	9.2
70.35434	18.3
70.35831	21.0
71.01358	14.3
78.95887	24.4
82.69785	8.6
88.61989	9.1
90.51198	9.7
96.96005	32.1
96.96967	8.6
98.20473	11.1
101.02429	12.5
111.00931	9.6
131.03517	21.9
171.10266	10.7
182.96869	9.7
199.09637	12.7
201.23000	9.4
207.10219	12.8
209.11792	100.0
225.11238	14.3
227.12761	15.8
235.08229	10.9
253.09198	34.6
291.19626	36.6
293.21259	65.8
445.20642	16.6
484.56976	11.3
690.31494	10.6
807.42456	89.0
808.42706	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	808.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.1
61.98812	0.3
69.29455	0.6
71.01373	0.4
74.76703	0.2
78.95895	4.7
83.05051	0.3
88.99825	0.3
95.05065	0.3
97.06581	0.4
108.14109	0.2
119.04990	0.3
125.06094	0.3
141.09146	0.4
148.08893	1.2
149.09743	0.3
150.10480	1.2
150.11488	0.3
151.11195	0.4
152.99544	1.4
163.11282	1.0
165.12825	21.7
166.13193	1.1
168.04288	1.2
175.11232	0.4
175.91663	0.3
176.11972	0.5
189.12752	0.3
191.14349	0.5
202.09952	0.3
205.19373	0.3
209.24409	0.2
217.16003	0.5
224.06955	0.7
225.30296	0.2
225.82849	0.3
242.07982	2.3
245.18947	0.3
247.20636	11.8
248.20946	0.7
251.88663	0.2
273.18555	6.4
274.18881	0.8
277.21674	63.0
278.22040	4.8
291.19617	100.0
292.19983	8.7
325.76453	0.2
418.37955	0.3
436.02789	0.3
502.29324	37.9
503.29700	4.9
749.44012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.3
60.11082	4.1
61.98822	32.4
69.27512	3.5
71.01366	20.2
71.63017	4.1
72.99290	5.1
78.95879	7.0
81.47526	3.6
83.05019	5.9
84.16898	3.6
85.02946	3.7
87.00882	4.5
88.12572	3.4
89.02455	4.9
93.03441	5.7
95.17583	3.6
96.95992	14.6
97.02924	8.2
97.06580	4.5
99.00888	3.4
99.59439	3.3
101.02409	7.9
109.06575	12.3
109.73625	3.6
109.74652	3.6
125.09716	4.5
130.76730	3.6
161.04529	3.5
163.11243	9.1
171.10220	18.0
181.12396	6.5
191.14377	4.7
197.11743	20.5
199.09671	5.6
201.11295	7.0
207.10220	39.4
209.11800	100.0
210.12296	4.5
211.13441	4.3
223.09802	7.9
225.11362	26.3
227.12872	19.5
235.08235	7.8
253.09288	26.7
289.17990	22.2
291.19763	16.6
293.21133	13.4
307.19214	18.1
309.20624	40.3
310.20737	7.1
461.19843	6.3
508.17065	3.6
691.18152	4.3
732.75604	4.2
735.39319	11.1
753.40753	18.0
754.41071	4.9
807.38300	7.6
808.39795	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	805.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01376	1.8
60.07068	0.2
61.98801	0.2
62.87284	0.1
67.01885	0.2
69.26481	0.4
69.26885	1.4
71.01365	0.5
71.05000	0.5
72.66261	0.1
78.95914	0.2
80.96506	0.6
83.05016	0.8
89.02449	0.3
93.03453	0.3
94.98055	0.2
95.05024	0.8
97.06586	0.3
101.02408	0.3
109.06573	0.4
110.40351	0.2
111.08149	8.1
112.08508	0.4
113.02466	0.2
113.09698	0.5
135.11832	0.2
137.09700	0.6
139.11249	0.2
149.09673	0.5
155.10733	0.3
163.11224	0.2
167.10733	1.8
177.12843	1.6
179.10756	1.9
195.13878	5.6
196.14282	0.2
203.14406	0.4
247.20673	2.1
253.09207	0.8
273.18539	1.5
277.21674	4.9
278.22064	0.3
291.19623	100.0
292.19971	8.8
570.84277	0.2
579.71057	0.2
805.40308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
57.14717	0.1
58.00598	0.3
59.01376	100.0
60.01714	1.1
66.88406	0.1
69.03465	0.3
69.66187	0.8
69.85916	0.1
70.02766	0.1
71.01379	11.8
71.69654	0.2
72.01727	0.2
72.99313	0.5
73.02943	8.7
75.00882	0.2
76.99595	0.1
81.03466	0.2
83.01385	3.1
83.01868	0.2
83.05025	0.2
85.02950	2.7
87.00882	0.5
89.02439	3.9
93.03467	0.4
95.01373	0.6
96.96008	1.3
97.02975	0.4
98.20588	0.3
98.95617	0.1
99.00895	0.5
101.02438	10.6
102.02831	0.2
113.02443	4.5
119.03493	1.7
125.02470	0.6
131.03505	0.9
132.64423	0.1
135.04578	0.2
143.03477	1.3
149.02505	0.2
149.04535	2.0
150.03204	0.9
151.00320	0.2
155.03505	0.5
159.03064	0.1
161.04535	4.5
161.05785	0.2
163.04050	0.1
165.05568	0.8
173.04572	0.4
177.05548	0.2
179.05565	0.9
183.12587	0.1
191.05591	2.0
195.06650	0.4
203.05603	1.6
209.15543	0.1
218.57755	0.1
221.06667	1.3
230.63570	0.1
245.14035	0.2
261.13434	0.4
300.02817	0.2
303.14590	0.5
327.08801	0.2
339.08295	0.1
351.44363	0.1
351.95523	0.1
369.13327	0.2
371.20715	1.4
372.21173	0.1
388.16043	0.1
413.21759	3.2
414.22351	0.4
447.09485	0.2
535.19592	0.4
583.21936	0.8
596.15521	0.2
598.83588	0.1
759.32904	0.1
805.26489	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	803.337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98825	0.7
71.01361	0.2
71.62977	0.1
78.95890	1.4
79.95734	3.5
82.95432	0.1
85.02952	0.2
93.03436	0.2
96.96005	100.0
97.95977	0.4
98.95641	0.1
102.86662	0.1
140.76135	0.1
146.93294	0.1
159.12993	0.1
171.10242	0.1
173.04521	0.3
176.12494	0.1
191.05556	0.5
207.17203	0.1
209.11829	0.4
221.73354	0.1
253.09175	0.1
265.07635	0.1
267.06677	0.1
287.30823	0.1
352.19031	0.1
726.28192	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87994	0.2
59.01377	0.4
61.98827	100.0
65.67990	0.2
70.03164	1.0
73.02935	1.0
80.48168	0.2
80.96512	0.5
84.64753	0.2
90.37617	0.2
101.06069	1.8
130.41919	0.2
157.43582	0.2
175.07948	0.2
222.92310	0.2
231.11221	0.2
246.42827	0.2
330.73328	0.2
349.66556	0.2
357.05811	0.2
382.28079	0.2
785.38452	0.2
803.38831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.3
58.00601	0.4
59.01374	100.0
60.01702	0.5
61.98828	4.3
62.84775	0.3
71.01376	8.3
72.99290	0.6
73.02937	2.2
80.96513	0.5
83.01395	1.1
85.02950	3.5
87.00897	0.4
89.02444	3.8
93.03439	2.0
95.01399	0.6
96.96002	4.7
98.19868	1.0
99.00910	0.5
101.02433	5.1
113.02438	2.9
119.03488	1.6
125.02392	0.7
131.03461	0.4
133.02933	0.4
134.38326	0.3
135.04523	0.9
143.03445	0.4
149.04634	0.3
151.00383	0.4
161.04543	1.5
171.10243	0.7
173.04518	2.6
178.99849	0.5
179.03598	0.5
179.05511	0.4
191.05603	4.5
192.06039	0.4
209.11864	0.5
229.24536	0.5
289.17593	0.4
327.21854	1.5
376.56097	0.4
387.20197	5.7
416.37238	0.3
426.11899	0.4
429.21161	2.3
430.21240	0.3
504.63910	0.4
574.72925	0.3
695.04706	0.3
704.15216	0.5
801.24561	0.4
801.40302	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	801.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.3
61.98825	52.9
63.96228	1.6
67.01877	1.2
69.03452	1.5
69.87562	0.8
71.01378	13.6
73.02950	2.5
78.91911	1.0
78.98588	9.9
79.95728	18.5
80.96511	100.0
81.03477	1.3
83.05026	0.8
85.02946	5.8
87.00865	4.9
93.03433	5.1
94.98080	20.3
95.79253	0.8
96.96005	14.5
97.02949	2.1
98.20624	2.5
99.00884	1.1
101.02449	4.3
106.98071	3.9
111.04506	0.9
113.02429	1.9
121.03040	0.9
122.97565	4.7
125.02415	3.8
127.04015	1.3
133.02960	1.6
134.03735	3.4
134.97562	7.4
135.04549	2.3
136.99149	1.4
137.11595	0.7
148.99165	7.6
151.00327	1.0
152.98639	7.8
161.02365	1.1
161.04535	0.9
161.29413	0.7
164.98618	17.2
173.04552	7.2
177.01888	2.0
179.03436	1.5
191.05586	17.4
192.05984	0.8
193.05058	2.5
206.99631	4.0
209.11798	6.9
210.12192	1.9
225.00713	26.1
225.14828	1.1
226.00885	0.8
233.94629	0.8
343.24805	1.6
351.07074	2.2
352.08124	1.1
505.01135	0.8
541.19397	5.0
542.19977	1.1
593.04346	0.7
704.15997	1.3
735.08887	0.9
801.35779	95.2
802.35956	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	800.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76419	0.2
61.98824	100.0
64.03322	0.1
69.33263	0.2
69.33662	1.4
70.52379	0.1
98.20566	0.3
161.00244	0.1
173.04503	0.2
181.64917	0.2
211.13351	0.2
235.08942	0.2
293.21155	0.3
331.88928	0.2
753.70691	0.2
800.47882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.26351	0.1
61.98825	100.0
62.98525	0.1
69.42222	0.7
71.01373	0.3
73.02968	0.1
73.45011	0.1
75.48768	0.1
76.78809	0.1
79.95718	0.1
83.01418	0.1
85.02971	0.1
86.17706	0.1
87.00884	0.1
93.03457	0.3
96.96008	1.4
97.22260	0.1
98.19815	0.2
101.02400	0.1
111.24468	0.1
135.04543	0.3
150.18333	0.1
151.00383	0.2
171.10294	0.1
173.04558	0.5
191.05603	0.8
209.11873	0.2
210.12170	0.1
225.11259	0.1
465.22629	0.1
513.20398	0.1
533.48694	0.1
712.71484	0.1
759.65149	0.1
800.40686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
58.00592	0.4
59.01377	16.4
61.98826	100.0
69.03459	0.9
69.72499	1.7
71.01380	16.0
72.01710	0.3
72.99318	0.7
73.02942	4.8
75.00886	0.4
81.03469	0.8
83.01390	3.3
85.02949	8.7
86.00095	0.3
87.00863	4.3
88.98830	0.4
89.02446	3.4
92.92802	0.3
93.03430	0.6
95.01377	1.7
96.96005	1.7
97.02950	1.0
98.19952	0.5
99.00871	2.2
101.01771	0.5
101.02441	10.0
105.08781	0.3
109.02942	0.5
111.00877	0.6
112.01660	0.6
113.02445	7.5
115.03979	0.3
119.03493	0.9
119.26117	0.3
121.02963	0.4
125.02440	1.7
127.04008	1.2
129.01978	0.3
131.03539	0.7
135.04562	0.3
139.84148	0.3
143.03516	1.1
154.14084	0.3
159.02969	0.5
161.04527	2.0
163.06232	0.4
163.11325	0.3
173.04491	0.8
175.86215	0.3
191.05591	1.2
207.10193	0.5
209.11789	2.8
210.12198	1.0
225.11284	0.7
389.25513	1.7
405.28854	0.3
551.30786	0.9
593.31439	0.3
608.13965	0.3
623.24921	0.3
697.36639	0.5
704.70526	0.3
739.37494	0.7
781.38947	0.9
799.39624	43.3
800.40039	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	799.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.00600	1.9
59.01376	34.1
61.98828	5.2
63.70847	0.8
63.98225	0.9
64.97054	0.9
69.03454	2.5
69.35229	7.4
71.01377	100.0
71.57025	0.8
72.01728	1.2
72.99306	2.4
73.02937	6.2
78.95927	1.2
79.95718	1.1
80.02668	1.1
81.03449	3.7
83.01396	1.9
83.05025	3.3
85.02950	6.8
87.00856	7.0
89.02441	22.4
93.03458	1.7
95.01399	2.5
96.96001	7.1
97.02939	10.6
97.06637	1.2
99.00871	2.7
101.02441	19.9
101.99811	1.0
107.04996	1.4
109.06581	29.6
110.03757	1.6
111.00906	1.5
111.04518	1.3
113.02448	8.4
119.03500	7.2
121.06573	1.9
123.04556	1.3
125.02425	5.6
125.09728	1.6
131.03465	1.4
135.08131	3.3
136.05275	1.1
141.01907	1.7
142.02710	2.4
143.03508	2.8
149.04477	0.9
161.04482	4.4
161.09714	3.4
163.11272	14.6
164.11606	1.2
171.10255	8.4
172.10555	1.0
173.04568	1.5
179.05602	5.7
181.12297	7.0
185.11742	2.2
189.09196	2.0
190.93408	0.9
191.05611	3.0
197.11819	1.3
199.09712	3.0
199.13339	1.1
201.11313	9.2
207.10236	69.1
208.10585	3.7
209.11800	3.3
215.13011	1.2
221.06673	2.3
225.11298	55.2
226.11665	4.0
235.08185	5.4
243.12346	6.0
253.09273	3.0
287.07654	1.2
305.08972	1.4
326.35260	1.0
380.51270	1.0
397.13467	28.0
398.13730	1.4
415.14520	22.2
416.14911	2.0
443.18976	1.7
453.08893	1.2
457.15390	1.2
461.20605	0.9
605.23969	1.1
623.25458	43.0
624.25995	11.7
641.27039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32439	0.8
58.71816	0.9
59.01365	4.1
67.01883	2.1
71.01368	3.4
73.02931	2.0
81.03453	1.2
85.02947	14.5
87.00861	3.3
89.02467	1.3
93.03458	11.3
95.01353	1.0
96.95982	5.2
99.00871	0.9
99.89660	0.8
101.02415	1.5
106.08253	0.9
108.02182	1.1
109.02959	4.6
111.04527	2.6
116.92841	2.0
121.02943	8.8
127.03996	2.1
135.04550	1.2
137.02380	1.8
147.00972	1.0
148.01678	3.7
149.02448	2.4
151.00294	1.0
155.03490	1.0
161.02357	0.9
161.04556	1.4
166.05370	0.9
171.04465	1.3
173.04561	5.7
174.03154	1.1
175.03867	1.9
191.05595	66.5
192.05923	2.7
199.03862	1.3
201.01811	2.2
211.03964	4.1
212.04712	1.3
213.05519	2.1
221.04333	1.4
223.03981	20.7
224.04623	2.9
225.05409	1.3
226.02565	1.1
227.03561	1.2
235.03917	2.9
238.02562	1.0
239.03485	18.4
240.04048	3.0
241.05026	2.8
242.02084	1.0
243.02878	1.8
250.02675	1.2
251.03415	4.4
252.04279	1.9
255.03011	1.8
266.02115	6.8
267.02963	42.8
268.03415	3.9
269.00833	1.2
269.04620	2.6
279.02963	8.2
280.03674	5.0
281.04425	1.9
283.02573	1.4
285.03989	2.2
289.05212	1.0
295.02463	8.3
296.03033	0.9
308.03067	1.2
311.01956	2.9
315.06540	2.3
318.05307	1.2
324.02814	1.8
327.06430	1.6
329.04480	1.2
331.06104	2.1
343.06104	4.1
344.06744	2.4
347.05154	0.9
359.05621	6.7
359.14914	2.1
361.06937	1.5
367.10468	1.2
370.04785	1.6
371.05652	4.9
387.04980	7.2
388.05826	5.0
389.06555	3.2
416.05350	73.8
417.06033	53.1
418.06427	5.3
433.05038	1.2
434.06213	8.9
435.07031	8.2
460.04224	2.9
461.05087	4.8
563.11902	100.0
564.12292	16.8
581.12958	20.9
582.13159	3.3
607.10864	21.4
608.11157	2.2
625.13324	1.3
647.77008	1.0
653.11346	2.8
707.91547	1.1
799.17169	53.7
800.17358	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	795.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78925	0.2
59.01382	3.0
63.02388	0.5
65.00325	1.0
67.01893	0.3
71.01373	1.1
71.67934	0.3
73.02956	0.4
83.01385	0.8
85.02951	0.5
89.02443	0.4
93.03458	0.5
96.96011	1.2
98.19825	0.5
99.00800	0.3
99.07600	0.3
101.02450	0.8
107.01398	2.2
108.02164	0.7
109.02934	1.5
113.02451	0.3
121.02943	2.1
125.02422	0.3
130.05562	0.3
135.00864	0.5
147.00916	0.3
148.01608	0.5
149.02396	0.4
151.00363	10.5
159.04523	0.3
161.04611	0.3
163.00356	2.3
164.01131	0.3
169.01421	0.4
173.04492	1.1
178.99858	6.0
183.04449	0.5
187.03864	0.4
191.05623	1.9
192.00748	0.4
195.94388	0.3
199.03937	0.5
201.05647	0.4
203.03511	0.4
211.04010	0.9
211.09814	0.3
226.02701	0.8
227.03400	2.1
229.05026	0.8
239.03510	0.5
243.02977	5.1
245.04468	1.3
254.02167	1.2
255.02956	14.4
256.03384	1.6
257.04630	0.4
271.02448	26.7
272.02936	2.9
273.03949	1.1
283.02484	1.4
284.03235	0.9
299.01965	0.6
300.02725	59.7
301.03473	44.4
301.07169	0.5
302.03891	3.8
447.09277	100.0
448.09613	12.0
626.90692	0.3
691.31915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	7.3
59.11365	4.9
59.84568	4.9
61.98827	79.3
67.05806	4.5
69.82700	4.9
70.63181	13.6
70.63534	6.5
70.93268	4.7
71.01363	16.6
78.95883	9.3
85.02916	7.3
89.02452	8.0
93.03469	6.7
96.96015	26.4
118.56688	5.2
131.24724	6.6
133.08220	5.2
152.99609	7.5
165.12943	5.1
171.10303	10.9
173.04530	7.6
185.40874	6.1
191.05659	13.1
192.05917	5.7
197.11748	18.2
209.11789	100.0
210.12132	10.8
225.11023	5.6
227.12819	25.8
235.08124	7.1
253.09193	17.4
291.19571	22.5
293.21252	9.8
309.20709	60.7
310.20792	6.3
463.21677	6.0
791.40015	58.0
792.40210	14.5
811.37476	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	791.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23121	6.5
61.98830	50.7
67.25001	7.4
68.31362	6.5
68.92190	6.8
71.10081	8.5
71.10414	8.8
78.95908	7.5
87.93465	6.2
99.04642	7.6
107.36993	7.0
120.78000	8.0
123.30387	7.1
141.32240	7.6
142.04938	7.7
149.61102	7.5
172.99178	7.1
209.11810	100.0
220.29176	7.4
237.41142	7.4
247.20934	7.6
277.21722	82.6
278.21729	9.8
335.70029	7.0
352.74725	6.6
445.20728	11.8
455.79578	7.8
791.44037	40.9
792.44116	21.4
796.46582	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	791.399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83080	4.5
59.01369	18.4
61.98835	26.1
71.01372	21.2
71.63020	4.9
71.63498	5.3
72.99306	7.7
75.00874	12.8
78.95893	11.4
80.96519	4.8
83.05013	5.6
85.02911	10.2
89.02485	5.6
96.95989	8.0
97.06548	4.7
101.02442	5.8
109.06588	15.3
113.02489	6.2
120.09237	4.6
163.11244	14.9
171.10213	17.5
173.04510	6.0
195.13829	5.6
198.86395	4.8
207.10207	71.1
209.11795	81.9
225.11278	46.4
227.12904	21.3
235.08356	7.6
253.09218	30.9
275.20245	6.6
291.19604	100.0
292.19910	5.1
293.21228	65.6
294.21344	5.3
455.40317	5.5
461.20117	17.9
527.28497	6.9
528.29083	5.2
561.17938	5.9
631.38269	9.1
705.32202	8.4
737.40961	20.6
738.41705	9.8
747.39465	6.1
791.39526	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	789.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	21.5
61.98825	100.0
71.01368	31.5
71.32214	13.5
78.95898	25.2
80.96495	7.7
85.02950	8.5
93.03439	10.9
94.98122	6.7
96.95993	28.1
101.02384	8.5
109.06545	10.9
111.00884	7.2
152.99538	12.3
171.10258	15.7
173.04532	17.9
191.05588	17.7
197.11745	9.5
207.10251	58.6
208.10573	7.7
209.11810	79.8
211.13457	8.2
225.11255	21.0
227.12865	17.5
235.08165	15.7
253.09279	30.7
289.18033	21.3
291.19589	14.7
307.19049	23.3
309.20563	59.2
433.29178	7.3
443.18826	9.3
461.20325	13.3
753.29651	16.9
753.41766	48.0
789.37952	69.0
790.38824	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	789.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.6
61.98827	14.9
71.01382	28.0
73.02950	3.3
73.69320	2.6
79.95748	4.2
82.95405	13.1
83.05020	8.6
85.02944	7.4
86.47910	3.3
87.00883	7.0
88.98806	3.5
89.02467	5.1
93.03442	6.6
96.96003	81.6
97.02955	5.3
98.95588	14.4
99.00865	11.7
99.92575	3.3
101.02415	8.5
109.06566	11.9
113.02428	8.4
115.47124	3.0
116.92840	31.8
117.01965	4.0
125.09702	5.2
159.92328	2.7
163.11235	13.8
168.10268	2.8
171.10242	15.1
172.42104	2.6
173.04549	11.7
181.12296	14.5
191.05614	16.8
194.63692	3.4
197.11824	7.1
199.13359	11.1
201.11281	6.5
207.10254	35.5
208.10687	3.1
209.11809	100.0
210.12144	8.6
211.13487	7.2
225.11308	40.4
226.11484	4.8
227.12917	16.0
235.08194	4.8
239.79085	2.8
243.12505	13.6
253.09232	15.9
296.83774	2.8
325.20142	8.2
443.19025	4.5
461.20190	12.5
479.21423	9.8
635.30511	8.4
653.31659	6.5
667.36646	3.7
671.32898	16.5
672.32782	5.1
689.33978	38.4
690.33771	10.6
721.36450	32.1
722.36682	4.4
727.39313	4.2
789.43231	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	789.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98821	0.3
70.97916	0.1
71.01374	0.4
71.62948	0.1
71.74164	0.1
78.95451	0.1
78.95897	1.8
79.95731	3.7
82.95422	0.1
83.05054	0.1
85.02955	0.1
89.02475	0.1
93.03418	0.1
96.82379	0.1
96.96003	100.0
97.95958	0.5
98.95615	0.1
103.02939	0.1
116.92858	0.1
171.10243	0.3
173.04565	0.2
184.44798	0.1
191.05592	0.4
192.25652	0.1
201.11362	0.1
207.10292	0.1
209.11809	0.4
225.11334	0.1
227.12869	0.1
253.09192	0.2
293.21182	0.1
327.21768	0.2
341.63708	0.1
354.09964	0.1
397.13364	0.1
415.14450	0.1
427.68518	0.1
435.08560	0.1
453.09097	0.8
454.09894	0.1
463.11545	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	789.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03453	1.5
57.40440	0.7
58.00573	1.1
59.01375	100.0
60.01718	1.4
61.98832	4.1
69.03465	1.2
69.33895	4.9
71.01378	25.5
72.99314	1.6
73.02945	6.5
74.42023	0.6
83.01385	4.1
83.05027	0.6
85.02946	11.2
86.00110	0.8
87.00877	3.2
89.02441	8.9
93.03461	1.2
95.01401	3.2
96.96000	14.2
96.96583	1.0
97.02956	2.6
99.00860	2.8
101.02437	12.7
109.02970	1.4
111.00862	0.8
113.02444	15.0
114.02802	0.8
119.03497	3.0
124.01675	2.5
125.02452	8.2
130.79605	0.6
131.03590	0.6
133.02913	0.6
134.03842	0.6
135.04529	1.0
143.03487	4.4
150.82379	0.6
152.87766	0.6
155.03584	0.7
161.04610	2.9
172.41896	0.6
173.04570	1.9
179.05647	1.4
191.05583	5.1
208.08002	0.6
217.32677	0.6
237.38310	0.6
268.07492	1.2
275.19907	0.7
385.06155	0.6
397.41779	0.5
404.49649	0.6
419.24713	0.7
437.25305	1.9
455.26642	1.7
463.98514	0.8
563.28906	1.7
581.29602	20.8
582.29834	3.4
599.30646	46.9
600.31116	6.9
617.31616	13.7
618.32330	2.3
641.31598	11.3
642.32831	2.8
659.32678	19.5
660.33545	3.4
701.34448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
58.00604	1.0
58.95579	0.7
59.01375	100.0
60.01710	1.9
61.98831	4.5
69.03461	1.9
71.01376	29.2
71.63615	1.4
72.99309	1.4
73.02946	9.5
75.00870	0.9
79.70403	0.7
79.95742	2.3
83.01396	4.0
85.02942	13.4
87.00875	3.4
89.02439	11.8
93.03432	4.3
95.01377	3.4
96.96007	42.7
97.02944	3.0
98.95631	1.1
99.00882	2.7
101.02436	17.0
106.66741	0.7
107.45292	0.8
109.02921	1.6
111.00867	0.9
112.01678	1.3
113.02443	16.8
119.03487	3.8
124.01650	2.3
125.02420	9.3
126.63149	0.7
131.03505	1.1
133.03001	0.9
134.37505	0.9
135.04575	1.3
137.06104	1.0
143.03448	5.4
149.04517	1.5
151.07614	1.1
155.03493	1.2
159.04425	1.1
161.02466	1.9
161.04532	4.3
171.10268	1.1
173.04544	3.0
179.05656	2.4
191.05580	8.1
209.11868	1.7
229.14372	1.5
242.91656	1.0
249.18266	0.8
268.07477	1.9
437.25165	1.7
455.26089	2.2
563.28552	1.5
581.29614	20.0
582.30139	3.0
599.30670	45.5
600.30707	8.1
608.15491	0.9
617.31653	15.0
618.31970	2.2
627.29218	0.9
641.31763	14.6
642.32214	3.1
659.32715	21.6
660.33081	4.8
701.33984	1.9
789.34784	1.0
820.91638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
60.68695	0.1
61.98826	100.0
62.98528	0.2
62.99256	0.1
67.38680	0.1
69.96362	0.4
71.01384	0.1
78.95913	0.1
80.96496	0.5
98.19955	0.2
103.37915	0.1
107.89044	0.1
164.98618	0.1
189.80203	0.1
209.11911	0.2
210.12263	0.1
242.78265	0.1
252.66057	0.1
277.21790	0.2
278.22061	0.2
279.22760	0.1
787.38678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.98824	100.0
62.98524	0.2
69.48348	0.4
71.01388	0.1
73.02927	0.2
78.95918	0.2
79.95734	0.2
80.96508	0.9
81.35753	0.1
87.00888	0.1
94.98087	0.2
101.06078	0.1
152.99658	0.1
164.98630	0.1
209.11865	0.2
210.12152	0.1
211.12659	0.1
225.00708	0.2
277.21591	0.2
295.22739	0.1
311.22552	0.1
394.92828	0.1
699.51349	0.1
786.49139	0.2
787.39124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.1
61.98827	100.0
62.98539	0.1
70.77007	0.2
71.01388	0.1
78.95918	0.1
78.98601	0.1
79.95752	0.2
80.96506	0.7
83.07771	0.1
94.98077	0.2
101.20770	0.1
116.92864	0.1
129.01077	0.1
134.97525	0.1
170.08490	0.1
209.11877	0.7
210.12225	0.4
225.00786	0.2
225.11311	0.1
253.09393	0.1
277.21756	0.5
278.22131	0.4
300.05084	0.1
561.45679	0.1
578.92346	0.1
602.79260	0.1
784.41846	0.7
785.39410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98543	0.1
70.37012	0.2
70.37368	0.1
79.95742	0.1
80.96526	0.5
80.96924	0.1
94.98080	0.2
98.20585	0.1
99.92575	0.1
105.11513	0.1
114.33913	0.1
116.92871	0.4
130.63998	0.1
158.53448	0.1
164.98645	0.1
209.11787	0.2
225.00739	0.1
277.21738	0.2
278.22031	0.1
279.23221	0.1
784.42279	0.6
785.38519	0.2
808.89313	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48741	0.6
59.01375	4.6
61.98811	5.1
69.71452	3.4
71.01367	2.7
73.02929	0.7
80.96478	0.6
81.03394	0.6
83.05047	3.2
84.02175	0.7
85.02955	0.9
87.00865	0.8
89.02447	1.6
92.38586	0.5
101.02411	3.1
113.02436	1.7
161.04587	1.5
163.11282	2.6
165.12839	0.9
169.51898	0.6
179.05539	0.7
183.20082	0.5
191.10683	0.7
209.11806	78.8
210.12140	6.0
227.12868	10.8
235.08186	6.3
249.83856	0.6
253.09271	9.3
259.20621	0.6
277.21689	100.0
278.22009	9.9
350.53308	0.6
410.22858	0.6
424.85043	0.7
445.20880	0.8
513.30542	0.7
783.41840	1.2
784.47449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.1
61.98822	100.0
62.98532	0.1
71.01395	0.1
72.45448	0.1
78.98594	0.1
79.95735	0.3
80.96510	1.4
82.96066	0.1
85.02959	0.1
87.00917	0.1
94.98080	0.3
101.02489	0.1
116.92857	0.1
134.97594	0.1
148.99165	0.1
152.98607	0.1
164.98651	0.2
173.20567	0.1
207.10268	0.1
208.10591	0.1
209.11899	0.2
225.00723	0.4
277.21793	0.2
278.22147	0.2
783.42004	0.1
784.42218	1.4
785.38940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
61.98825	2.6
71.01383	2.8
73.02951	0.4
80.02690	1.0
81.03465	1.1
83.01395	0.4
83.05022	4.3
84.02167	0.7
85.02952	0.4
89.02432	2.0
89.02856	0.2
95.05006	0.7
98.19869	0.7
101.02439	2.2
113.01747	0.2
113.02470	1.0
119.03485	0.5
123.89559	0.3
125.06108	0.6
135.08174	0.5
136.59930	0.2
161.04588	0.9
163.11261	4.2
165.12781	2.0
179.05559	0.4
181.12425	0.5
185.39052	0.2
191.10762	0.9
209.11807	100.0
210.12137	6.3
227.12872	11.1
228.13240	0.8
235.08240	1.0
253.09258	7.4
254.09816	0.3
277.21689	49.3
278.22049	5.4
278.24857	0.4
293.21194	0.7
329.41110	0.3
351.95660	0.3
409.36624	0.3
445.20761	2.0
446.20990	0.4
513.30969	0.3
643.15826	0.3
649.91748	0.2
784.47742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.3
64.86250	0.4
65.00314	0.3
69.40195	2.6
73.02944	0.7
78.95905	0.3
83.01385	0.7
85.02946	0.6
93.03444	0.8
96.96043	2.0
101.02470	1.8
107.01363	0.6
113.02439	0.8
125.02479	0.4
133.35692	0.3
135.04460	0.3
151.00368	1.9
161.04611	0.4
168.55602	0.3
173.04518	0.5
178.99858	0.7
183.04408	0.3
185.06035	0.3
187.03999	0.5
191.05582	1.8
209.11719	0.4
211.03984	0.9
227.03482	29.9
228.03793	2.2
229.05017	0.9
239.03413	0.6
240.04173	0.4
249.13406	2.8
253.90421	0.4
255.02972	41.3
256.03516	6.0
257.04361	1.0
280.42322	0.4
284.03241	53.9
285.03949	17.2
286.04407	1.2
291.14410	0.9
300.02567	0.5
318.72101	0.4
327.04953	0.6
433.07849	0.5
447.09296	100.0
448.09586	11.5
463.66507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.6
61.98821	6.0
64.92989	1.0
71.01365	6.0
73.02972	1.5
73.32418	1.3
80.96508	6.2
85.02923	1.9
87.00878	1.6
89.02418	2.2
94.98071	2.1
97.02949	6.4
98.19892	4.1
99.00898	6.6
101.02453	3.7
109.06563	1.9
112.94685	1.1
113.02410	2.2
125.09732	2.3
142.02742	1.1
163.11278	8.3
164.98578	1.4
179.05563	1.3
181.12331	17.6
199.13365	1.6
207.10234	53.1
208.10568	3.3
225.00732	2.1
225.11287	100.0
226.11642	6.5
235.08377	1.8
243.12282	9.6
253.09261	2.3
277.21683	90.8
278.21997	10.7
443.19321	3.2
461.20187	39.7
462.20511	5.4
721.41638	30.8
722.41681	7.5
781.40332	7.4
782.40613	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	781.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86432	0.6
59.01371	21.4
61.98824	17.2
62.67568	0.5
68.38166	0.5
68.99556	1.1
69.03465	0.8
71.01382	6.8
71.47131	0.8
72.52233	0.5
73.02929	1.6
73.08102	0.6
78.95900	1.0
78.98563	0.9
79.95710	1.8
80.02674	1.1
80.96507	11.4
81.03448	2.8
83.01401	1.4
83.05020	2.5
85.02945	2.8
87.00871	2.0
89.02434	4.4
94.98079	2.3
97.02941	6.0
99.00878	1.1
101.02426	5.3
109.06579	34.4
110.03712	0.8
110.06914	1.4
112.98555	1.7
113.02431	2.3
119.03505	1.7
121.06558	2.8
125.02444	1.2
134.97563	1.3
135.08154	3.5
136.05309	1.0
142.02696	1.4
145.10278	0.8
148.99141	1.0
152.98544	0.8
161.04541	1.8
161.09676	2.2
163.11266	19.1
164.11652	0.9
164.98613	1.4
179.05583	1.2
179.10754	1.0
181.12317	3.0
189.09186	3.4
196.14012	0.6
207.10240	100.0
208.10556	6.8
209.11806	2.1
213.15349	0.6
219.31772	0.6
221.72328	0.6
225.00650	2.1
225.11284	33.3
226.11684	1.5
235.08203	3.9
243.12321	1.2
253.09225	14.5
253.11777	1.0
254.09415	1.1
277.21680	76.2
278.22025	7.7
281.14108	0.7
299.15039	1.4
441.33508	1.0
443.19125	7.1
461.20206	11.1
462.20602	2.0
485.32755	0.7
703.41901	1.4
721.41571	33.4
722.41962	7.6
781.40314	10.6
782.41553	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	781.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49707	0.8
59.01090	1.1
59.01372	17.1
61.98518	1.5
61.98824	22.4
63.73491	0.7
68.99551	1.9
71.01370	6.4
73.02945	2.2
78.98566	1.5
79.95725	2.8
80.02678	1.0
80.96509	17.0
81.03419	1.3
83.05011	1.8
85.02943	3.1
87.00874	1.3
89.02427	2.8
93.03488	0.9
94.98075	3.0
97.02928	4.2
99.00855	1.0
101.02435	5.6
101.06072	2.1
109.05885	0.9
109.06588	15.5
109.25612	0.8
112.98581	0.9
113.02394	3.1
116.53486	0.9
119.03468	1.0
121.06566	1.4
122.97543	1.2
125.02427	1.0
135.08171	1.9
148.99095	1.9
150.55724	0.7
152.98540	0.9
161.04529	1.9
161.09724	0.8
163.11267	9.5
164.98569	3.8
181.12279	1.1
189.09157	2.1
206.99768	0.8
207.10240	57.2
208.10532	3.0
209.11722	1.7
225.00690	4.2
225.11293	15.4
226.11627	0.9
235.08192	5.3
253.09270	10.2
254.09641	0.9
277.21686	100.0
278.22012	10.1
285.73001	0.9
443.19095	2.7
461.20010	3.2
513.30322	1.7
703.39929	1.4
721.41595	26.1
722.41742	5.3
781.40210	18.0
782.40356	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	781.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46543	0.2
59.01382	2.7
71.01389	1.4
71.63239	0.3
72.99330	0.2
73.02923	0.4
81.74242	0.2
83.01385	0.3
85.02961	0.6
89.02438	0.7
89.03961	2.0
95.04971	0.2
96.95976	1.1
99.00890	0.8
101.02428	0.9
106.04239	0.6
113.02436	1.0
117.03463	5.9
118.03793	0.3
119.03522	0.3
123.08154	0.5
125.02419	0.2
126.43549	0.2
132.02167	1.8
134.03731	82.6
135.04057	3.0
137.02399	0.5
149.06073	6.3
150.03128	0.3
150.06444	0.3
160.01646	7.3
161.01985	0.4
161.04468	0.4
163.11276	0.5
165.59296	0.2
173.04533	0.4
175.03990	8.5
176.04350	0.3
178.02719	1.7
189.12900	0.6
191.05562	0.9
193.05038	100.0
194.05383	5.0
195.44473	0.2
207.13863	0.6
209.11829	1.3
217.58557	0.2
227.12898	0.5
251.41994	0.2
291.31100	0.2
391.86365	0.2
501.23550	1.3
502.23651	0.2
521.33124	0.8
543.24591	0.6
544.24524	0.3
555.13586	0.2
561.25439	0.6
562.26001	0.3
677.33289	0.3
737.30280	5.7
738.30798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29662	0.3
75.56420	0.3
78.95921	0.4
79.95694	1.5
91.67481	0.3
95.95241	0.4
96.96004	69.2
97.95927	0.4
150.97453	0.4
152.09377	0.3
229.28044	0.3
265.14749	100.0
266.15091	6.8
408.99200	0.4
651.01904	0.3
793.79114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67437	0.3
71.61710	0.3
78.95901	45.9
79.53294	0.3
79.95715	0.3
96.96045	10.6
96.96954	100.0
109.98980	0.3
241.84938	0.3
274.41403	0.4
316.84219	0.3
341.10767	0.3
353.69162	0.3
439.08539	26.3
440.08835	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	777.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44237	6.4
59.44472	6.9
60.09591	6.0
61.98823	21.6
62.13943	6.0
62.34572	6.4
79.72772	9.0
96.95988	15.1
104.07747	6.0
122.87650	6.3
179.03842	6.3
179.05392	5.9
201.11319	44.1
209.11769	79.6
209.72121	6.5
227.12886	14.3
230.09515	10.9
253.09200	13.0
277.21713	100.0
278.21960	10.5
293.21002	6.7
297.21600	7.2
339.91992	7.0
386.04514	6.9
401.40656	6.4
441.72620	6.8
445.20566	9.1
513.30865	11.3
777.42017	30.1
778.42346	9.5
786.31323	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	777.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
65.00331	1.1
70.47107	0.8
70.47443	1.1
71.01364	3.1
80.26411	0.5
83.01375	0.7
85.02955	1.0
89.02439	1.5
89.02986	0.4
93.03455	2.3
96.95998	5.6
101.02451	1.3
107.01392	1.5
108.02190	1.4
111.04515	0.6
113.02451	1.2
119.10527	0.5
121.02932	1.5
124.01686	0.6
134.91182	0.6
148.01740	0.6
151.00371	6.6
163.00352	0.7
164.01076	0.6
173.04539	4.1
178.99846	5.2
191.05605	4.3
192.00566	0.5
193.01305	0.6
199.03940	0.7
215.03537	0.8
216.04297	0.8
223.33073	0.5
226.02650	1.3
227.03464	2.1
243.02977	8.5
244.03479	1.0
254.02182	2.1
255.02956	21.5
256.03369	1.4
271.02444	52.1
272.02838	4.6
273.04083	0.8
295.08347	0.9
299.02011	2.2
300.02722	100.0
301.03247	16.6
302.03851	0.5
303.08951	1.2
308.51535	0.5
331.17615	0.6
341.12006	1.1
347.27136	0.6
349.18552	0.9
391.19547	2.7
459.00589	0.6
596.85779	0.6
715.79987	0.6
741.18732	72.2
742.19019	15.2
777.15149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.68524	0.1
70.68893	0.3
87.83459	0.1
95.76275	0.1
245.67316	0.1
255.23918	0.1
263.23407	0.1
344.11362	0.1
520.71692	0.1
572.53314	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
61.68296	0.1
69.54218	0.1
69.54625	0.3
78.95896	1.4
79.95256	0.1
79.95731	3.1
83.63633	0.1
87.50922	0.1
96.96002	100.0
97.95928	0.5
98.20588	0.1
156.52495	0.1
191.05502	0.1
198.59531	0.1
206.86426	0.1
218.66344	0.1
460.16702	0.1
529.30688	0.1
775.47394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01865	0.1
55.37362	0.1
56.31230	0.1
58.35934	0.1
60.30504	0.1
61.87926	0.2
61.98827	100.0
62.98519	0.2
70.68784	0.2
71.57763	0.1
92.36376	0.1
150.69057	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.6
61.98835	37.5
66.02708	3.5
69.32599	34.5
69.89231	4.1
71.01362	6.1
78.95896	18.2
84.66313	3.9
84.80530	4.4
87.00856	4.7
89.22078	3.7
96.95992	24.0
98.95574	12.0
130.77924	4.2
132.77332	3.9
152.99567	7.4
171.10168	4.8
173.04550	5.7
191.05681	5.2
209.11789	77.4
227.12798	21.4
228.13162	4.9
235.08238	5.3
253.09312	20.0
267.03760	4.2
275.20120	4.3
293.21188	100.0
294.21448	11.9
328.42947	4.3
354.26624	4.0
445.20630	4.9
468.10925	5.4
495.76703	4.7
597.64215	5.0
611.55817	4.5
775.40790	58.7
776.41260	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	775.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69605	4.4
61.98844	26.2
61.99131	6.0
71.01384	6.0
71.63544	5.7
73.02956	5.2
73.38562	5.4
78.95885	13.6
89.44647	4.4
96.96011	7.3
111.88661	4.8
138.20805	4.5
152.99547	8.1
185.19901	4.2
209.11789	100.0
227.12849	27.8
235.08257	8.1
253.09267	16.0
293.21191	57.2
294.21439	6.8
365.27374	5.4
445.20700	11.9
566.45697	5.6
775.40234	47.1
776.41656	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	775.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03685	4.1
59.01358	8.2
61.98823	47.6
70.02065	7.6
70.02404	19.3
78.95892	13.9
84.62218	4.4
89.02417	6.9
89.57652	3.9
93.03426	4.2
96.69206	4.6
98.19925	6.7
119.27908	4.4
152.99658	5.7
163.11301	6.1
171.10268	33.9
172.67372	4.3
199.09750	12.6
201.11221	5.6
201.51230	4.0
207.10249	27.4
225.11290	51.9
235.08170	6.7
253.09254	11.5
259.28894	4.4
277.18759	8.3
277.21664	100.0
278.21994	9.4
443.19125	6.3
461.20068	11.2
513.30664	8.2
695.39996	33.1
696.40454	7.3
721.41431	37.4
722.41827	10.2
775.39063	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	775.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05914	0.2
61.98823	1.5
70.67106	0.8
76.01604	0.2
78.95894	2.2
79.95731	3.1
96.96003	100.0
97.95950	0.3
101.23354	0.3
125.24955	0.2
141.05351	0.3
152.99561	0.5
171.10303	0.3
260.11493	0.2
293.21246	0.3
453.08981	0.4
471.12848	0.2
525.73553	0.3
644.80396	0.3
775.43854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.7
61.98830	32.4
66.79337	4.1
67.70988	4.5
71.01389	8.6
74.81750	4.0
77.94050	4.1
78.95909	6.8
101.02454	7.0
109.06602	7.8
152.99561	6.7
163.11247	7.5
171.10254	19.1
181.08646	5.0
181.12436	6.4
199.09756	38.3
201.11290	8.3
207.10239	60.3
211.13281	4.3
214.84746	4.2
215.77187	4.9
223.18549	4.1
225.11270	39.8
253.09235	20.0
277.21710	100.0
278.21838	10.9
417.17905	5.5
435.18887	11.4
443.19324	14.4
461.20132	13.9
565.07849	5.5
677.39203	5.1
695.39868	66.9
696.40369	18.2
703.40845	5.2
721.41559	52.4
722.41809	9.7
775.40668	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	775.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	54.6
61.98821	53.5
71.01377	100.0
71.63102	5.3
73.02940	9.7
79.74062	4.8
81.03424	7.4
82.95425	5.2
85.02939	19.3
87.00849	12.2
89.02440	25.4
89.19076	5.7
93.03421	12.7
96.95987	37.4
97.02943	7.4
98.95587	10.8
99.00854	6.0
101.02432	29.5
109.06584	19.1
113.02429	18.7
113.06052	6.0
119.03487	12.8
121.06600	6.6
125.02470	6.9
155.10802	6.1
163.11258	13.7
171.10275	29.2
173.04526	15.1
179.05589	15.0
191.05530	27.2
197.11784	15.4
199.09741	34.6
201.11296	13.3
204.00215	5.3
207.10220	59.7
209.11789	68.7
210.12109	8.0
225.11307	61.7
227.12906	29.5
235.08133	12.5
243.12372	8.4
253.09279	5.9
279.15723	6.9
329.23114	6.3
397.13443	81.1
406.39487	5.7
415.14517	68.4
464.82474	5.8
597.23920	59.8
605.21967	16.0
623.25549	45.3
624.26099	15.8
641.26294	8.0
775.31598	44.0
776.31696	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	773.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
57.37643	0.4
59.01378	3.7
61.98835	1.1
69.74371	2.2
69.74783	1.0
70.68589	0.5
71.01373	1.2
73.02924	1.1
75.25673	0.5
85.02939	2.2
87.00866	0.7
87.04508	0.6
90.94276	0.4
93.03461	1.1
96.96004	5.0
101.02433	0.8
111.04565	0.5
113.02435	0.7
135.08168	1.0
136.05305	0.7
137.02396	0.6
137.06055	0.7
137.09663	0.7
149.06079	5.1
150.06866	42.5
151.07219	2.8
161.09665	1.0
162.06837	1.3
163.07655	10.7
164.08421	7.5
173.04530	1.3
176.08397	0.9
177.09113	1.0
178.10040	2.4
179.10770	19.9
180.11098	1.2
191.05577	2.8
201.11359	0.7
299.02090	0.6
301.20178	0.7
343.24741	2.2
345.22815	4.6
350.51990	0.5
461.32590	0.6
462.33133	0.7
464.31369	5.0
465.31598	0.7
478.32913	2.3
479.33795	6.7
480.33914	1.5
488.30466	0.6
506.32364	2.2
507.33109	2.5
524.33527	3.7
525.34241	21.1
525.42255	1.0
526.34784	3.8
687.39417	2.0
729.40564	100.0
730.40912	24.4
730.50500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.9
61.98830	48.6
71.01395	11.4
71.29589	15.3
78.95905	21.6
88.98769	10.0
89.02470	7.1
96.95970	10.4
109.06561	17.0
152.99614	9.4
162.47693	7.9
171.10292	9.0
191.05614	8.8
207.10255	89.8
209.11795	14.6
225.11342	36.1
235.08171	14.5
253.09221	25.9
293.21228	100.0
295.22736	13.9
297.15259	18.1
443.19211	22.5
461.20267	21.1
632.81952	8.5
676.20026	9.1
719.40063	13.2
737.40967	88.5
738.41333	18.7
773.39264	55.6
774.38379	11.4
776.52063	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	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.47000	0.1
61.98829	1.5
63.73256	0.1
66.02599	0.1
66.95514	0.1
70.20398	0.4
71.01370	0.3
78.95895	2.2
79.95731	3.5
81.64914	0.1
94.92493	0.1
96.96003	100.0
96.96877	2.7
97.06543	0.1
97.95947	0.4
152.99599	0.1
171.10291	0.1
209.11758	0.4
210.12128	0.3
225.11270	0.1
253.09161	0.1
277.21692	0.1
293.21237	0.3
295.61600	0.1
397.13519	0.1
407.17587	0.1
435.08167	0.1
453.09286	0.4
526.28546	0.1
600.87317	0.1
713.31091	0.2
795.22559	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38844	0.1
55.42414	0.1
56.17750	0.1
59.01378	0.1
61.10964	0.1
61.98839	0.5
63.06751	0.1
70.47878	0.3
71.01369	0.4
76.71581	0.1
78.95898	2.0
79.95731	3.4
88.52961	0.1
96.96004	100.0
96.96878	2.6
97.95950	0.3
107.59401	0.1
110.38025	0.1
125.06100	0.1
171.10280	0.2
173.08113	0.1
184.99861	0.1
190.02141	0.1
201.34921	0.1
253.09320	0.1
284.75616	0.1
286.57880	0.1
293.21274	0.3
335.94574	0.1
379.91174	0.1
431.11890	0.1
453.09470	0.2
526.53729	0.1
687.63959	0.1
713.31128	0.2
714.31384	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.64832	0.4
57.03442	1.4
58.00580	1.6
59.01373	100.0
60.01708	1.4
61.98822	2.9
64.54206	0.6
67.80094	0.5
69.03449	2.5
69.29241	1.3
69.29664	4.0
71.01376	52.1
72.01729	0.6
72.99304	2.7
73.02940	41.2
74.03280	0.6
75.00857	0.6
78.95891	0.5
79.95737	0.7
81.03431	0.6
82.95415	2.0
83.01379	12.2
85.02946	10.7
87.00850	2.3
89.02437	19.8
93.03488	1.1
95.01391	3.7
96.96000	5.5
97.02951	1.7
98.95650	0.6
99.00889	1.5
101.02435	41.7
102.02744	0.9
113.02441	32.7
114.02741	0.7
119.03490	9.1
124.01645	0.6
125.02442	3.3
131.03499	5.0
134.14282	0.4
137.06140	1.1
138.28165	0.6
143.03473	7.0
149.04536	5.5
149.20828	0.5
151.07661	1.9
155.03481	1.5
161.04543	13.9
164.06940	0.5
171.10294	1.1
173.04614	1.0
179.05580	6.4
191.05569	3.1
193.08620	0.5
203.05591	3.6
207.10301	0.9
209.11798	2.5
221.06696	2.8
225.11215	0.8
284.78287	0.6
316.02579	0.5
327.21954	1.5
463.27118	0.5
565.30359	1.9
583.31140	7.6
584.31799	1.3
584.62622	0.6
591.34283	1.0
601.32288	3.3
602.32440	0.8
625.31848	2.7
626.32440	0.6
643.33441	7.9
644.33545	1.0
669.38977	1.4
711.40161	0.8
765.71436	0.6
773.36505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03428	1.9
58.00587	1.3
59.01373	100.0
60.01706	1.0
61.98824	3.4
64.74390	0.6
66.28084	0.7
69.03463	1.7
71.01377	54.9
71.63404	0.9
72.01723	1.4
72.99315	2.5
73.02941	35.6
75.00883	0.9
81.03468	0.9
82.95421	2.5
83.01376	11.7
85.02941	12.9
85.67999	0.6
87.00884	2.7
89.02435	21.2
90.02802	0.7
93.03475	1.1
95.01389	5.5
96.96004	8.7
97.02958	1.9
99.00867	1.9
99.04533	1.1
100.74726	0.6
101.02435	41.7
102.02791	0.7
111.04499	0.8
113.02439	35.4
119.03495	9.2
125.02441	4.0
127.04028	0.9
131.03490	4.3
135.04529	0.8
136.05333	0.9
137.06085	2.5
143.03484	7.7
149.04527	5.1
149.09685	1.0
151.07648	3.1
155.03513	2.1
161.04544	13.3
163.07680	0.8
165.09274	0.8
171.10283	0.8
173.04564	1.7
173.67558	0.6
179.05574	8.2
191.05614	6.2
193.08594	1.4
199.13429	0.6
203.05650	2.8
209.11751	3.2
221.06635	2.8
227.12952	0.7
327.21783	1.2
349.19919	0.7
395.06857	0.6
463.44785	0.7
513.30646	1.3
565.29968	3.5
581.27417	0.8
583.31140	13.7
583.39453	1.0
584.31866	2.2
591.34021	1.9
601.32239	5.7
602.32562	1.2
625.32159	5.1
626.32562	0.9
643.33221	10.0
644.34180	3.0
669.38422	3.1
685.35315	0.8
711.40387	1.5
729.40771	1.7
773.32086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83759	0.7
55.01867	1.9
57.03450	3.5
58.00602	0.9
58.77930	0.6
59.01374	46.1
61.98824	8.1
69.03444	1.7
69.42045	4.8
71.01379	33.2
72.99315	3.5
73.02660	0.6
73.02950	7.4
78.98177	0.6
79.95723	1.2
80.96497	2.6
81.03432	1.5
82.95433	1.3
83.01374	5.6
85.02432	0.9
85.02946	16.5
86.00110	0.9
87.00873	5.2
89.02439	9.9
93.03425	2.9
95.01379	4.9
96.96004	17.0
97.02934	2.7
99.00901	3.7
101.02440	22.8
109.02956	0.7
111.00888	4.6
112.01672	1.2
113.02442	15.6
115.04031	0.7
119.03477	3.4
121.02939	0.8
124.01628	1.2
125.02444	4.7
129.01935	1.6
135.04539	1.2
139.04047	0.8
141.12810	1.0
143.03497	2.1
159.02942	1.7
161.04552	1.6
171.13934	1.4
173.04529	2.1
191.05592	10.1
200.14085	0.9
201.14951	2.0
223.13687	0.8
225.00821	0.7
298.01035	1.1
299.01758	1.1
315.25275	1.2
348.58801	0.7
359.28076	3.1
361.29529	12.1
362.29916	1.1
388.12695	0.7
464.10211	0.7
503.32040	0.9
505.33923	6.6
506.34921	0.8
512.80566	0.8
523.28479	1.0
523.34924	9.3
524.34991	1.7
584.62347	0.9
635.12433	1.2
667.39032	100.0
668.39374	21.2
685.39996	42.7
686.40265	9.1
727.41125	33.5
727.54108	1.6
728.41779	6.8
771.31757	2.8
772.30817	0.9
784.81842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01369	4.9
61.98827	7.3
69.03465	0.4
69.57417	2.6
71.01374	2.7
73.02931	1.4
78.91888	0.6
79.95712	1.1
80.96519	0.5
83.05048	0.5
85.02943	1.3
87.00858	1.6
89.02454	0.9
90.49272	0.4
93.03436	1.1
96.96004	19.0
97.06542	0.6
97.11610	0.4
98.95583	0.7
99.00854	0.4
99.04512	0.9
101.02414	1.1
109.06600	0.5
111.04553	0.6
111.08129	0.8
112.93783	0.4
113.02428	1.2
116.92852	0.5
119.03468	0.4
123.04472	0.4
123.08145	1.2
127.11224	0.4
135.08136	0.7
136.01654	0.9
136.05258	0.9
137.06061	0.7
137.09665	0.9
145.06944	0.3
149.06024	1.8
150.06853	37.0
151.03972	1.1
151.07257	1.5
155.10716	0.8
158.40201	0.4
161.04584	0.4
161.09718	0.9
162.06831	0.9
163.07657	6.5
164.08411	7.4
165.05547	0.5
165.09091	0.4
166.02672	0.4
167.03317	0.4
170.74626	0.5
171.10304	0.5
173.04526	1.7
176.08418	0.7
177.09171	0.9
178.09978	2.5
179.10756	18.1
180.11037	1.3
181.04988	0.6
184.10997	0.5
191.05623	3.9
193.08675	0.5
201.11293	0.5
208.10071	0.4
257.13913	0.6
288.17044	0.5
305.21243	0.4
306.18289	1.7
306.21741	0.4
321.20673	1.4
341.23346	1.2
343.21115	4.9
344.21347	0.6
350.20959	0.7
387.14435	1.2
387.19165	0.4
462.29898	2.7
476.31430	0.9
477.32135	6.9
478.32172	0.9
504.30841	1.0
505.31299	2.2
506.31656	0.5
522.31970	1.8
523.32721	20.4
524.33099	3.6
565.57544	0.5
620.59052	0.4
667.36707	1.1
685.38068	1.5
686.37195	0.5
727.39001	100.0
728.39337	24.7
728.52405	0.9
771.36255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1982
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01374	3.5
65.00343	0.9
71.01401	1.0
71.61916	0.5
73.02946	1.0
74.88324	0.3
83.01397	1.4
85.02956	0.8
89.02447	0.6
92.39920	0.3
93.03433	0.5
96.96008	3.8
101.02426	0.8
107.01392	2.1
108.02219	0.6
109.02956	1.5
112.42200	0.3
116.78263	0.3
119.03574	0.4
119.05019	9.3
120.05324	0.6
121.02941	1.0
125.02418	0.6
128.03571	0.4
133.02930	0.6
135.04543	0.7
137.02422	0.5
146.04585	1.1
147.00813	0.4
147.04536	0.5
147.82790	0.4
149.02437	0.8
151.00349	8.9
152.00931	0.4
154.21562	0.3
161.02484	0.6
161.04509	0.6
163.00337	1.1
163.03992	10.1
164.01155	0.4
164.04422	0.5
171.04445	0.8
173.04523	0.7
175.00366	0.8
175.04036	0.6
178.99814	2.5
185.02293	0.7
189.01872	0.4
191.05658	2.7
199.03957	2.6
201.01912	1.0
211.03906	0.7
214.02757	0.4
215.03482	2.1
226.02670	0.9
227.03456	3.3
228.03818	0.5
229.05042	0.4
243.02922	4.7
254.02264	0.6
255.02953	5.6
256.03375	0.7
271.02448	60.7
272.02832	4.8
273.04019	0.5
299.01938	100.0
300.02625	38.9
301.03476	32.2
302.03873	3.0
313.03482	0.5
325.09103	1.4
343.04559	1.1
367.10489	0.6
445.03979	0.8
445.20840	1.3
454.07401	0.5
462.01575	0.8
462.08032	14.8
463.08658	5.1
527.11328	1.8
527.61127	0.7
608.13574	0.6
609.14539	45.7
610.14868	6.4
623.98053	0.4
771.19806	65.3
772.20197	15.9
772.34723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70245	0.5
58.99592	3.3
59.01372	3.1
68.11706	0.4
69.40652	1.9
69.41076	2.3
87.00864	4.4
87.02724	1.8
89.39842	0.4
96.95984	0.6
102.98609	0.5
110.01173	0.5
115.05803	0.4
123.60302	0.4
131.05356	1.6
133.06917	100.0
134.07205	3.6
151.00363	2.2
163.00375	0.6
178.99850	1.1
183.22649	0.5
191.05637	1.1
203.07426	9.5
204.07710	0.6
221.08490	22.4
222.08878	1.4
227.03366	0.6
243.02968	1.1
255.02892	3.3
256.02969	0.5
263.09537	50.4
264.09912	3.3
271.02438	7.9
272.03012	0.5
300.02686	15.5
300.05969	0.9
301.03445	8.2
463.08765	24.8
464.03116	0.5
464.09128	2.2
481.14059	0.5
547.61133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
57.03439	2.5
59.01090	3.0
59.01376	51.6
61.98517	2.9
61.98827	58.6
69.03441	2.2
71.01378	26.2
71.63687	2.4
72.27425	1.5
72.99290	2.7
73.02937	8.9
78.95876	2.3
79.95734	4.6
80.96498	4.5
81.03446	2.5
83.01377	5.4
83.05032	1.6
85.02943	21.2
87.00855	8.3
89.02433	6.3
93.03448	2.0
95.01381	2.0
95.10179	1.4
96.96004	100.0
97.02940	2.2
99.00873	2.9
99.04505	2.4
101.02441	19.6
113.02415	11.1
118.42982	1.4
119.03519	2.4
122.51937	1.6
125.02430	2.9
127.03996	2.3
131.03479	1.6
135.04507	2.4
139.03963	2.2
141.01671	2.7
143.03487	3.2
145.05144	1.8
161.04486	2.1
161.16748	1.3
165.53813	1.3
168.82646	1.7
171.10248	2.6
173.04539	4.6
191.05559	10.6
197.11716	2.0
207.10184	3.1
209.11835	5.9
211.13289	1.9
225.11163	2.7
293.21072	2.2
311.22202	21.2
312.22580	3.2
359.24377	6.1
397.13449	4.8
415.14383	6.7
462.94122	1.7
521.29749	4.6
667.35413	3.7
709.36926	5.6
769.38684	93.7
770.39050	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
57.81546	0.7
59.01374	6.3
61.98825	52.3
63.96227	2.2
65.94093	0.7
69.03458	1.2
71.01382	12.4
71.59106	1.2
72.48433	0.9
72.99288	0.9
73.02925	2.9
78.98598	7.7
79.01910	0.8
79.95733	15.7
80.96512	79.3
81.03420	1.4
85.02958	5.6
87.00876	3.9
89.02451	1.3
93.03440	2.2
94.98077	17.8
95.01374	0.7
96.96000	19.8
97.02921	2.8
99.00873	2.0
101.02441	4.8
106.98089	3.8
111.04498	1.0
113.02415	2.2
122.97602	3.5
125.02430	4.0
127.04004	1.5
134.97562	6.8
136.99081	1.6
148.99121	7.1
152.98604	7.9
161.04509	1.4
163.11139	0.8
164.98602	14.8
165.98808	0.7
167.00151	1.0
173.04524	4.6
191.05571	9.6
192.05917	1.1
206.99648	4.3
209.11772	5.8
225.00705	31.0
226.00967	0.9
267.12305	1.0
419.26584	1.0
493.66141	0.7
502.57718	0.7
509.16788	3.3
541.19666	1.6
729.74573	0.7
737.30988	1.0
769.33075	100.0
770.33466	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	769.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11795	0.5
56.83378	0.5
57.03449	1.4
57.23851	0.5
58.00598	0.7
59.01376	100.0
61.98837	0.7
69.03466	0.9
69.82178	0.5
71.01377	21.1
71.63040	0.7
72.99324	0.9
73.02940	11.6
75.58684	0.5
83.01384	3.8
85.02952	6.3
87.00896	2.2
89.02442	12.5
93.03458	3.6
95.01411	1.0
96.95990	3.6
99.00897	1.4
101.02437	21.3
101.03071	1.2
111.04501	0.8
113.02430	9.8
119.03477	6.2
121.03007	1.8
122.06136	0.8
125.02488	0.8
131.03528	1.1
135.04590	0.7
143.03510	2.7
149.04594	2.2
151.00272	0.7
161.04539	5.0
173.04527	4.5
179.05614	1.4
185.11836	1.2
187.13379	7.0
188.13821	1.0
191.05605	16.6
192.05930	1.0
203.05490	0.7
221.06665	1.4
227.12982	0.8
267.02802	0.7
295.08316	1.6
319.57086	0.6
327.06790	0.6
331.17584	18.2
332.18240	1.4
337.09302	1.0
349.18619	19.5
350.19070	2.0
391.19702	52.5
392.20166	6.4
400.05914	1.5
401.06760	2.2
498.95401	0.7
533.10852	4.5
668.87201	0.7
733.60773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98514	0.2
61.98824	3.6
65.03971	0.1
67.51332	0.1
69.62738	0.8
70.46487	0.1
71.01380	0.9
71.02121	0.1
73.02949	0.4
78.95904	0.1
79.95731	3.4
80.96520	0.2
83.01405	0.2
85.02931	0.6
88.98796	0.6
89.02434	0.4
93.03456	0.4
96.96003	100.0
97.95930	0.3
99.00877	0.4
101.02434	0.5
104.07507	0.1
113.02499	0.6
114.93378	0.2
119.03468	0.2
125.02442	0.3
152.08385	0.2
153.20790	0.1
159.42604	0.1
173.04541	0.5
183.51387	0.1
189.89940	0.1
191.05594	1.5
211.26941	0.1
218.73196	0.1
359.27982	0.2
416.07364	0.1
427.84341	0.1
503.33066	0.1
519.24725	0.2
521.33252	1.5
522.33856	0.2
567.28015	0.2
585.29474	0.3
623.23492	0.2
627.29907	1.1
628.30200	0.3
709.36279	0.3
751.27679	0.2
769.37579	0.7
770.36829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.0
69.68657	2.6
69.69050	1.3
70.34117	0.5
70.89064	0.5
71.01379	1.7
73.02949	1.2
83.01395	0.9
85.02943	0.7
92.93298	0.6
93.03458	2.3
96.96000	1.7
101.02425	0.7
107.01395	0.8
116.92845	1.2
121.02970	1.1
151.00354	4.0
163.00290	1.2
173.04543	8.4
178.99861	2.0
191.05638	3.3
211.69058	0.6
227.03392	1.0
229.83818	0.6
243.02911	5.2
245.04512	0.9
249.13422	1.0
254.02199	1.4
255.02956	15.3
256.03421	1.5
271.02457	33.8
272.02975	2.6
284.03183	1.0
300.02719	81.8
301.03363	21.5
302.03818	1.3
321.09839	1.7
433.07697	100.0
434.08002	10.5
447.09348	1.3
498.43011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
61.27338	0.1
61.98825	100.0
62.98538	0.2
64.13101	0.1
64.13479	0.1
68.07619	0.1
69.34563	0.4
69.34988	0.4
71.01369	0.3
80.96508	0.2
85.02965	0.2
89.02445	0.2
96.95981	0.5
98.19459	0.1
98.19770	0.2
101.02482	0.3
113.02431	0.2
117.71632	0.1
125.02408	0.1
125.09827	0.1
173.04588	0.1
191.05658	0.2
209.11858	0.2
236.31831	0.1
242.15254	0.1
291.19681	0.3
292.19907	0.2
294.26898	0.1
309.20731	0.9
310.20898	0.7
315.46292	0.1
373.32315	0.1
397.13559	0.3
398.13879	0.2
404.04453	0.1
415.14783	0.5
416.14761	0.3
680.74896	0.1
766.32617	0.1
768.33545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03439	1.0
58.00585	0.9
59.01375	16.9
61.98827	100.0
66.73104	0.7
69.03470	1.3
71.01379	14.8
72.99308	1.6
73.02955	2.6
75.00860	0.8
78.88682	0.6
79.95736	0.9
80.96505	4.5
83.01384	1.8
83.05056	0.9
84.96624	0.6
85.02946	3.7
87.00862	3.2
89.02444	10.4
92.92767	0.8
93.03470	1.6
94.98090	1.0
96.95988	5.4
97.02958	1.9
98.19839	1.7
99.00884	0.7
101.02441	9.2
101.03067	0.8
108.26477	0.6
111.08157	7.3
113.02427	5.0
116.92860	0.8
119.03515	2.7
122.35735	0.8
125.02439	3.6
131.03545	1.0
143.03477	0.9
151.00391	1.2
161.04582	2.2
163.11363	0.7
169.12373	3.3
173.04619	1.3
176.91580	0.8
178.99774	0.8
179.05637	2.4
181.12407	0.9
187.18742	0.7
191.05586	3.9
193.91461	0.8
197.11821	39.2
198.12192	1.8
199.13408	1.8
207.10295	1.1
209.11914	2.4
210.12315	1.2
211.13460	4.3
225.00728	2.1
225.14986	1.5
227.12811	1.2
235.08154	3.2
253.09311	1.2
263.20264	1.8
265.18134	1.2
287.07776	0.8
291.19614	7.3
309.20691	74.7
310.21027	7.4
397.13461	22.1
398.14169	1.2
415.14526	29.0
416.14914	2.8
510.33740	0.8
564.41815	0.8
664.81213	0.8
707.34698	5.0
708.35657	1.4
767.31415	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	767.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03439	1.0
58.00585	0.9
59.01375	16.9
61.98827	100.0
66.73104	0.7
69.03470	1.3
71.01379	14.8
72.99308	1.6
73.02955	2.6
75.00860	0.8
78.88682	0.6
79.95736	0.9
80.96505	4.5
83.01384	1.8
83.05056	0.9
84.96624	0.6
85.02946	3.7
87.00862	3.2
89.02444	10.4
92.92767	0.8
93.03470	1.6
94.98090	1.0
96.95988	5.4
97.02958	1.9
98.19839	1.7
99.00884	0.7
101.02441	9.2
101.03067	0.8
108.26477	0.6
111.08157	7.3
113.02427	5.0
116.92860	0.8
119.03515	2.7
122.35735	0.8
125.02439	3.6
131.03545	1.0
143.03477	0.9
151.00391	1.2
161.04582	2.2
163.11363	0.7
169.12373	3.3
173.04619	1.3
176.91580	0.8
178.99774	0.8
179.05637	2.4
181.12407	0.9
187.18742	0.7
191.05586	3.9
193.91461	0.8
197.11821	39.2
198.12192	1.8
199.13408	1.8
207.10295	1.1
209.11914	2.4
210.12315	1.2
211.13460	4.3
225.00728	2.1
225.14986	1.5
227.12811	1.2
235.08154	3.2
253.09311	1.2
263.20264	1.8
265.18134	1.2
287.07776	0.8
291.19614	7.3
309.20691	74.7
310.21027	7.4
397.13461	22.1
398.14169	1.2
415.14526	29.0
416.14914	2.8
510.33740	0.8
564.41815	0.8
664.81213	0.8
707.34698	5.0
708.35657	1.4
767.31415	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	767.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.5
60.21139	0.3
70.37553	1.2
71.01372	3.5
72.99249	0.4
73.02944	1.0
73.91682	0.3
82.03023	0.4
83.01378	0.6
85.02959	1.4
87.00889	0.4
89.02451	1.0
93.03465	1.0
95.01392	0.6
96.96011	3.9
99.00881	0.5
101.02419	2.3
108.02177	0.8
109.02923	0.5
113.02414	1.8
121.02957	2.8
122.03749	1.9
123.00856	0.6
134.03722	0.8
136.01654	51.1
137.02242	1.7
151.03996	82.9
152.04366	4.2
159.04495	0.6
160.05247	0.7
161.04559	1.9
162.03264	0.7
163.03998	0.9
173.04532	1.0
175.07629	1.3
177.05510	0.4
179.03627	0.4
179.05403	0.5
187.07579	0.6
191.05635	2.0
193.93314	0.4
202.06334	0.8
203.07184	0.5
209.14911	0.3
231.10147	0.7
264.17703	0.4
269.10300	1.0
287.10391	1.0
311.11713	0.8
331.12259	0.6
342.11075	4.3
348.61716	0.4
357.13391	100.0
358.13745	11.3
363.11777	1.0
367.63873	0.4
411.16528	3.5
412.16635	0.4
501.17593	2.9
502.18140	0.5
519.18250	1.9
561.19672	1.8
585.63989	0.4
779.57489	0.4
781.84070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98824	100.0
62.98548	0.2
70.77501	0.3
71.01376	0.4
83.01405	0.1
85.02970	0.2
88.98822	0.2
89.02451	0.2
93.03459	0.1
96.95982	0.7
98.19892	0.1
101.02430	0.1
101.61381	0.1
104.95568	0.1
109.06586	0.1
143.03377	0.1
154.39217	0.1
173.04553	0.3
173.68370	0.1
176.04744	0.1
187.26971	0.1
191.05659	0.5
193.88983	0.1
195.47644	0.1
197.11887	0.2
206.62747	0.1
207.10239	0.2
209.11809	0.6
210.12251	0.2
225.11116	0.2
241.05731	0.1
246.77557	0.2
271.02472	0.2
291.19699	0.4
300.02942	0.2
307.19284	0.2
308.19662	0.2
309.20734	0.6
397.13608	0.3
411.40244	0.2
415.14474	0.2
576.84094	0.1
626.61389	0.1
707.35284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01359	0.6
60.03270	0.3
61.91602	0.4
61.98819	0.5
62.81755	0.3
63.96228	1.9
69.03445	0.7
69.08147	0.3
69.89813	2.1
71.01379	7.9
72.01739	0.3
72.99294	0.5
73.02941	2.2
74.17416	0.4
78.98589	6.6
79.95256	0.7
79.95730	13.3
80.96511	75.1
81.03441	1.3
81.96442	0.5
82.96103	0.6
87.00869	2.4
94.98083	16.2
95.01397	0.3
96.96010	1.2
97.02943	1.6
98.20597	0.6
99.00880	0.5
101.02422	3.0
106.98083	3.5
107.19476	0.4
122.97568	3.3
125.02432	3.3
127.04033	0.5
134.97578	5.2
136.99117	1.5
146.97556	0.5
148.99136	7.2
152.74263	0.4
152.98631	5.8
164.98608	13.9
167.00255	0.7
206.99667	3.5
209.11745	1.4
225.00720	23.9
226.01045	1.3
255.23288	1.4
283.04822	0.7
372.53391	0.5
509.17072	4.1
537.27356	1.6
549.95044	0.3
562.84241	0.4
765.40887	100.0
766.41241	24.5
766.55560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24981	0.5
59.01382	4.1
61.98831	10.5
71.01371	2.8
71.63211	0.8
71.63618	0.7
80.02682	0.9
81.03443	1.4
83.05011	3.5
84.02151	1.1
87.00877	0.7
89.02442	2.1
93.03446	1.0
95.05014	0.8
96.95985	3.1
101.02435	2.1
102.77231	0.5
109.02917	0.5
109.06568	0.5
113.02467	1.2
133.05017	0.7
134.03745	5.8
160.01614	0.6
161.04529	0.6
163.11249	3.2
165.12852	2.8
171.10246	1.5
173.04568	1.5
181.12263	0.9
191.05646	3.0
191.10770	0.7
193.05031	6.0
206.67358	0.5
209.11823	100.0
210.12186	7.0
211.13382	0.7
217.00156	0.8
224.68858	0.5
227.12881	15.0
235.08217	1.7
240.13730	0.6
253.09174	5.0
279.47150	0.6
289.18094	2.4
298.45071	0.5
307.19119	0.9
324.77536	0.6
370.53107	0.7
378.84692	0.5
397.13672	0.8
415.14279	0.5
445.20667	3.8
446.21149	0.7
463.21835	0.7
543.72980	0.5
637.32251	1.4
719.90887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.0
58.00582	1.5
59.01374	41.0
61.98826	24.4
69.03422	2.3
69.27935	11.9
71.01376	31.3
72.99292	3.4
73.02940	4.2
74.36306	1.0
74.72720	1.1
75.00859	2.6
81.03445	4.0
83.01374	6.3
83.04997	2.8
85.02947	7.3
87.00861	6.6
88.98766	1.5
89.01911	1.6
89.02442	26.3
93.03440	2.7
95.01399	2.8
95.05022	3.3
96.95998	11.7
97.02955	6.4
97.06580	4.7
98.20708	1.3
99.00876	2.0
99.33367	1.0
101.02438	23.0
109.02917	1.6
109.06552	2.5
111.04509	2.5
113.02444	12.7
113.06049	2.1
119.03492	11.4
121.06569	1.3
123.04498	4.0
123.08110	1.8
125.02435	8.4
125.06082	1.6
125.09738	6.8
131.03503	1.4
133.05043	1.0
135.04494	1.4
135.08142	2.2
137.09686	5.4
141.01909	1.8
143.03462	3.4
145.05101	1.1
151.11302	1.6
161.04488	7.3
163.11292	10.0
165.12852	2.0
171.10226	3.6
173.04428	2.7
179.05609	7.9
181.12328	1.3
185.11812	9.5
191.05585	4.6
191.10690	1.2
191.14442	10.3
193.28514	1.2
207.10277	5.9
209.11816	57.4
210.12132	3.6
211.13159	2.5
217.15974	1.7
221.06656	1.9
225.11311	4.4
227.12849	4.4
235.08162	8.7
237.11275	3.6
243.08496	1.1
243.17410	1.3
245.19092	18.1
246.19336	2.4
253.09082	5.1
263.20120	1.1
271.17059	2.5
287.07611	1.7
289.18066	100.0
290.18387	8.8
305.08643	2.6
307.19122	96.5
308.19427	9.6
397.13464	61.4
398.13815	5.1
415.14542	50.1
416.14780	4.5
687.31989	1.8
691.71057	1.3
705.33447	6.9
706.33386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
58.00573	1.6
59.01374	36.1
61.26210	0.8
61.98825	66.0
69.03459	2.7
69.66016	4.3
71.01379	27.1
72.99292	2.2
73.02938	4.5
81.03445	3.8
83.01379	6.7
83.05033	1.9
85.02953	7.3
87.00864	5.8
89.02435	24.7
93.03431	1.7
95.01395	2.3
95.05000	1.9
96.96012	2.4
97.02945	7.0
97.06583	4.5
99.00886	1.4
101.02431	24.6
102.02800	0.8
106.04275	1.0
109.06550	2.0
110.03754	1.0
113.02440	13.3
119.03499	7.7
119.08622	0.8
121.06587	1.2
123.04491	3.9
125.02427	7.1
125.09689	8.2
127.04016	0.8
131.03523	1.2
133.05022	1.0
135.04585	0.9
135.08110	1.2
137.06010	1.1
137.09708	4.2
141.01875	0.9
143.03471	5.5
149.09673	1.2
161.04549	3.8
161.09711	0.9
162.10521	1.2
163.11275	9.7
165.09195	1.2
165.12796	1.5
166.34726	0.9
175.11227	0.8
179.05576	7.3
181.12302	1.6
185.11792	9.1
191.05585	1.6
191.10707	2.0
191.14391	10.9
207.10184	5.7
209.11798	23.7
210.12175	2.2
211.13385	1.9
217.16006	1.5
221.06613	1.9
225.11296	4.1
227.12834	1.3
233.20860	0.9
235.08179	8.3
237.11276	3.8
245.19093	17.4
246.19409	2.5
253.09206	2.0
263.07715	1.3
263.20105	3.0
271.16998	2.4
277.09564	1.0
281.21085	1.4
287.07874	1.1
289.18057	80.7
290.18387	8.1
305.08856	1.6
307.19116	100.0
308.19565	8.3
309.20798	0.9
323.09814	1.1
397.13455	58.0
398.13681	4.2
415.14517	48.0
416.15063	4.6
607.25958	2.9
673.34686	0.9
687.32135	1.0
705.33270	8.9
706.33484	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	765.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45555	0.3
59.01368	2.0
60.99300	16.5
61.98818	1.0
67.58968	0.3
70.95258	0.7
71.01395	1.7
87.00865	9.6
88.00392	4.9
88.00917	0.3
88.01218	0.7
88.98798	100.0
89.02432	76.8
89.99151	0.8
90.02785	1.1
95.74467	0.3
97.02962	0.4
98.19912	0.3
101.02436	0.9
108.78788	0.3
113.02439	0.7
125.02442	0.4
209.11775	0.3
211.13422	0.3
225.11269	0.5
230.06256	0.3
235.08168	0.7
277.21683	2.8
384.80545	0.3
397.13431	5.4
398.13940	0.6
415.14569	1.8
533.20056	0.4
601.06543	0.3
670.45166	0.3
760.30359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.9
61.98824	9.3
70.95993	1.9
71.01372	4.1
73.02927	1.6
74.55783	1.0
81.46349	0.9
85.02923	2.0
87.00880	1.1
88.98794	0.8
89.03974	1.8
93.03442	1.3
96.95994	10.1
99.00877	0.8
101.02425	1.7
113.02419	2.5
117.03442	5.3
132.02180	1.9
134.03732	79.0
135.04041	2.7
149.06068	8.8
151.00406	1.4
160.01619	5.5
173.04518	1.6
175.03992	8.4
178.02737	2.3
178.99815	2.9
191.05627	5.4
193.05038	100.0
194.05360	6.8
209.11774	10.6
227.12944	1.9
265.85254	0.9
339.52313	0.8
485.23483	2.2
527.24707	2.3
546.81024	1.1
721.30566	5.0
722.30609	1.4
757.24658	1.0
766.25494	1.1
774.06183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38987	0.2
59.01377	2.9
61.98805	0.3
70.36961	0.8
71.01379	2.0
73.02960	0.7
80.79510	0.2
85.02945	0.8
89.02434	0.9
89.03963	1.9
91.29631	0.3
93.03462	0.3
95.01369	0.3
96.96008	0.9
97.02911	0.2
99.00879	1.8
101.02437	0.8
106.04258	0.5
113.02438	0.8
117.03453	4.5
117.04237	0.3
118.03774	0.3
118.29653	0.2
131.03505	0.3
132.02141	1.9
134.03731	76.7
135.04063	3.5
137.02435	0.6
149.04549	0.7
149.06064	5.7
150.06406	0.3
155.95718	0.2
160.01646	6.4
161.01987	0.4
161.04552	0.3
172.83588	0.2
173.04565	0.2
175.03986	9.0
176.04288	0.4
178.02655	1.6
191.05595	0.8
193.05035	100.0
194.05362	5.6
203.05559	0.5
209.11899	0.3
302.80716	0.3
501.48337	0.3
519.86060	0.3
545.26208	0.3
721.30804	5.0
722.31085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	32.7
60.01709	0.4
71.01375	7.8
73.02939	7.9
80.28323	0.4
83.01398	2.5
85.02932	1.4
87.00845	0.6
89.02437	2.8
93.03452	0.6
95.01357	0.6
96.95995	0.7
98.20750	0.5
101.02423	9.8
113.02436	3.8
119.03522	1.8
125.02444	0.7
131.03477	1.0
143.03481	0.8
149.04532	1.8
151.00362	0.7
161.04578	3.5
179.05540	0.5
191.05579	0.9
211.04007	0.7
221.06630	1.2
227.03462	28.6
228.03841	1.9
229.04967	1.0
255.02954	39.9
256.03513	6.2
257.04242	0.9
284.03223	56.8
285.03860	13.6
286.04340	0.9
303.14319	0.6
327.05066	0.5
355.82495	0.4
373.18634	0.6
417.08200	100.0
418.08569	12.1
418.14111	0.8
476.18774	0.5
661.34113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23436	0.2
61.98826	100.0
71.01408	0.3
78.98594	0.3
79.95737	0.7
80.96513	4.4
81.49856	0.2
94.98090	0.8
95.80414	0.2
100.93207	0.3
101.02445	0.2
106.18443	0.2
134.97574	0.3
148.99170	0.3
152.98682	0.3
164.98605	0.8
209.11868	0.2
225.00653	1.4
377.12131	0.3
416.83047	0.3
545.01074	0.2
765.40912	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	763.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85938	0.4
61.98820	0.8
63.96237	1.2
68.88089	0.4
70.09726	0.5
71.01376	8.9
71.13592	0.9
71.91023	0.4
73.02956	2.7
78.98598	6.6
79.95730	12.7
79.96181	0.8
80.96512	74.1
81.03468	0.8
83.24651	0.4
85.02956	3.0
85.24323	0.5
87.00871	2.2
94.71775	0.5
94.98080	17.3
96.96009	1.3
97.02940	1.6
99.00839	0.6
101.02444	2.7
106.98063	3.4
109.06592	0.9
122.97594	3.8
125.02457	3.8
127.03943	0.8
134.97585	5.6
136.99123	1.6
148.99124	7.3
152.98621	7.0
164.98608	12.1
165.15300	0.5
167.00134	0.7
179.00221	0.7
206.99712	2.3
207.10144	0.9
225.00725	20.4
226.01158	0.9
242.48956	0.5
255.23239	2.1
283.04926	0.8
290.50650	0.4
507.15482	2.8
537.27216	1.4
763.39337	100.0
764.39679	22.5
787.28540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75644	0.2
57.24145	0.2
58.17717	0.2
59.01369	0.4
61.98827	2.8
63.49873	0.2
70.77391	0.8
71.01387	0.6
82.95424	0.4
84.95110	3.0
87.00870	100.0
87.99879	0.5
88.00397	6.8
88.01207	1.7
92.94981	0.3
101.02454	0.4
113.02412	0.4
136.45911	0.2
174.43776	0.3
177.55977	0.3
235.07947	0.3
256.35059	0.3
277.21692	1.1
325.37665	0.3
397.13425	2.1
415.14569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
67.46970	0.2
80.96521	1.2
89.64287	0.3
126.27391	0.2
127.94398	0.3
181.62048	0.3
184.35576	0.3
203.21034	0.3
213.07108	0.3
300.65417	0.3
320.96597	0.4
763.39349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.8
61.98825	2.0
70.32011	1.1
71.01378	4.1
72.99300	0.4
73.02937	2.8
77.83801	0.4
79.07079	0.4
82.95415	0.4
83.01372	1.1
85.02946	1.2
87.00870	0.7
89.02450	2.1
89.03957	2.5
89.82306	0.3
93.03455	1.2
93.13560	0.4
96.95996	4.5
99.00874	4.6
101.02455	1.9
101.06098	0.6
106.04266	0.7
113.02430	1.5
117.03463	6.5
125.02422	1.3
131.03487	0.6
132.02176	3.3
134.03728	100.0
135.04057	3.8
137.02438	0.9
139.03932	0.4
143.03508	1.4
147.04523	0.6
149.04776	0.4
149.06064	8.4
155.03484	1.3
160.01634	9.1
161.01955	0.5
173.04533	2.0
175.03976	10.8
178.02740	3.0
191.05591	4.2
191.07101	0.6
192.05957	0.5
193.05029	99.9
194.05360	6.2
203.05554	2.5
206.05824	0.8
209.11919	0.6
215.05565	0.5
217.05017	0.5
221.08189	2.4
235.06087	9.1
235.08310	0.4
236.06467	0.8
265.07144	19.0
266.07431	1.2
299.01794	0.4
307.08203	7.0
308.08322	0.5
325.09238	9.2
326.09576	0.9
367.10275	19.5
368.10562	1.6
409.11203	1.5
511.14801	1.8
703.76337	0.4
719.30786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99598	3.1
59.01090	0.3
59.01377	4.1
69.23257	0.2
71.01362	0.3
75.70683	0.2
76.59582	0.2
77.03702	0.2
87.00862	4.1
87.02721	2.0
93.03471	0.3
94.86385	0.2
96.96016	1.1
98.20727	0.4
98.95602	0.6
102.98586	0.4
115.05859	0.4
121.02952	1.6
128.10605	0.2
131.05370	1.6
133.06924	100.0
134.07289	3.3
135.54390	0.2
141.67841	0.2
151.00313	0.2
158.70450	0.2
173.04559	0.7
174.41750	0.2
191.05637	1.1
197.96745	0.2
203.07457	9.7
204.07768	0.6
221.08511	22.5
222.08807	1.2
263.09555	47.0
264.09909	3.4
306.10687	0.3
309.03568	0.2
390.54031	0.3
494.66342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14344	2.5
61.98839	6.6
69.65060	10.7
69.65469	5.5
78.95907	10.3
94.96220	2.6
98.20598	4.4
163.11276	3.4
171.10268	3.1
209.11810	69.3
210.12001	4.2
227.12938	16.4
227.14752	2.5
235.08163	7.4
253.09219	11.4
277.21683	100.0
278.22086	8.8
282.60184	2.9
311.22284	3.3
447.21225	3.6
513.30646	3.3
759.41199	31.0
760.42023	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	759.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
61.98817	2.9
69.07869	2.2
71.39345	3.4
71.39692	3.0
89.02451	2.2
113.21651	2.5
117.89371	2.3
165.98369	2.4
204.07471	2.4
209.11804	100.0
210.12180	4.6
227.12813	21.7
253.09207	8.7
277.18805	4.3
277.21689	54.7
278.21997	6.7
329.76086	2.5
439.14233	2.6
445.20584	7.3
463.21490	3.4
485.64731	2.4
552.16876	2.5
577.05139	2.7
759.40991	21.9
760.41394	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	759.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55488	1.8
58.39705	1.5
59.01387	14.4
61.98829	4.9
71.01389	9.2
71.63126	2.7
73.02943	4.8
78.95895	2.2
81.03415	2.8
83.05028	2.0
85.02949	5.4
87.00877	3.9
89.02417	2.1
89.39276	1.6
93.03456	4.4
96.40716	1.7
96.96014	16.6
98.95602	3.5
99.00916	2.2
101.02439	4.8
109.02937	1.8
113.02435	2.6
116.71461	1.7
135.66783	1.8
163.11301	2.2
170.88885	2.0
171.10329	2.6
173.04550	7.7
178.99872	2.2
191.05588	19.3
201.11324	22.8
209.11812	100.0
210.12170	7.0
225.11293	4.5
227.12840	22.9
234.32050	1.7
235.08260	2.7
253.09300	6.9
359.64938	2.0
375.21735	2.4
382.53061	1.7
437.19867	3.6
445.20715	19.3
463.21713	2.7
611.30438	4.3
614.66522	2.0
629.31641	7.9
637.32416	4.5
647.32544	4.5
673.34253	5.9
759.35852	39.1
760.36218	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	759.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30917	0.7
57.03440	1.5
58.26442	0.7
59.01376	82.6
59.19957	0.7
60.01717	1.7
67.01888	3.8
69.03448	1.4
70.95156	1.9
71.01379	11.1
72.99307	0.9
73.02955	3.7
81.03480	0.9
85.02949	3.4
87.00871	1.1
88.87431	0.8
89.02439	2.8
93.03455	25.2
94.03793	1.0
96.69484	0.8
96.96008	2.1
101.02448	5.9
105.58199	0.7
109.02934	0.9
111.00862	1.2
111.04523	5.2
111.08111	0.8
113.02452	3.5
119.03477	1.4
127.04070	0.8
134.41891	0.8
137.02472	4.3
155.03528	3.9
157.08723	3.9
161.04552	3.0
173.04532	100.0
174.04872	3.9
179.05620	1.1
181.12328	3.4
181.63361	0.8
191.05554	5.9
192.05928	0.9
199.13335	4.0
211.13342	5.4
229.14388	18.0
230.14723	1.0
269.10245	2.9
311.11349	2.2
317.16226	1.0
319.00858	0.8
327.10135	1.4
359.17072	3.6
371.08643	1.1
403.19693	67.2
404.20087	7.6
435.84265	0.7
573.57129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85667	0.8
57.03441	1.0
59.01377	11.0
61.98824	7.8
71.01373	3.1
71.63533	1.1
73.02936	1.7
79.95754	1.1
82.95421	1.9
83.59552	0.8
85.02953	3.7
87.00836	0.9
89.02422	2.1
93.03446	1.2
96.96001	15.8
101.02430	2.3
101.97028	0.8
111.04495	1.6
113.02443	1.1
121.21212	0.8
123.08076	1.1
135.04507	1.2
135.08128	1.0
149.06096	5.6
150.06853	42.2
151.07263	2.5
161.04567	0.8
161.09767	1.0
162.06837	1.9
163.06285	1.1
163.07642	14.2
164.08432	7.7
171.10246	1.3
173.04510	3.3
177.09175	2.6
178.09976	2.3
179.09322	1.0
179.10771	13.5
180.11021	1.0
191.05618	8.8
206.84528	0.8
207.10312	1.2
209.11739	3.8
215.12833	0.8
218.81381	0.7
225.11295	1.9
227.12790	1.2
287.22147	3.0
327.25397	1.7
329.23206	9.2
331.90536	0.9
337.34564	0.8
448.31900	3.7
449.31769	1.1
462.33279	2.4
463.34265	6.7
464.34576	1.4
490.32950	3.1
491.33792	4.6
508.33972	6.7
509.34677	19.8
510.34891	3.6
669.38641	1.1
671.32074	1.4
713.41138	100.0
714.41522	25.3
757.32739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	10.1
60.03883	6.9
61.98826	86.1
71.61977	8.9
71.62386	9.3
78.95892	22.9
82.04562	6.5
82.94583	6.5
88.98782	20.1
89.02441	19.4
91.79234	6.6
104.42710	7.2
104.60113	7.7
109.06583	14.1
136.06395	6.9
152.99603	9.5
163.11200	9.4
207.10237	54.2
209.11861	8.3
225.11278	19.6
235.08362	7.3
248.92453	6.3
253.09044	8.1
277.21747	100.0
278.21930	9.9
301.20352	6.7
302.30035	7.1
474.80197	9.8
484.71332	6.9
513.30566	8.1
721.41534	46.3
722.41827	17.6
757.41241	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	757.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.2
61.98822	13.7
70.22382	6.9
70.22770	4.9
71.01365	4.2
72.77747	3.0
73.02973	3.4
75.36221	3.0
88.98806	3.5
101.02430	4.2
101.06094	5.8
109.06586	23.1
155.81245	3.2
158.56454	2.8
162.39912	2.9
163.11256	9.2
189.09129	4.1
189.53200	3.6
207.10248	100.0
208.10542	4.9
209.11761	4.4
225.11296	29.0
226.11638	2.9
235.08191	5.5
253.09256	13.8
277.21698	75.1
278.21976	9.1
340.57089	3.5
443.19189	15.6
461.20233	16.2
703.40424	4.3
721.41461	60.8
722.42084	11.0
752.41754	3.2
757.39404	15.4
758.39246	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	757.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53905	16.3
59.69805	15.5
60.55486	15.2
61.98827	100.0
65.87013	16.7
69.17578	15.3
69.62212	15.6
71.01359	20.3
72.04588	18.5
73.02925	52.3
73.72745	17.6
75.89716	18.6
78.95901	27.1
96.23288	16.1
98.20681	30.5
101.06014	21.0
128.49355	16.1
207.10268	25.0
225.11240	23.3
229.58403	19.9
277.21753	52.0
323.63309	17.8
347.55597	23.6
571.15497	19.1
588.04602	20.2
721.42328	38.7
757.39716	67.0
758.40979	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05301	0.8
56.43958	0.6
57.03430	1.9
58.00581	0.7
59.01376	30.2
61.98835	1.2
67.01883	0.7
69.03436	1.4
69.30214	6.4
71.01379	33.5
72.01713	0.7
72.99301	3.0
73.02940	10.7
81.03477	0.9
83.01385	7.7
85.02950	18.0
86.00112	1.0
86.03292	0.9
87.00868	4.8
87.04501	1.6
89.02441	5.7
93.03441	1.5
95.01383	2.4
96.96004	7.0
97.02924	1.3
98.19913	1.2
98.95626	0.6
99.00881	3.1
101.02440	19.9
103.04005	1.2
111.00854	1.4
113.02444	15.8
115.04011	1.1
119.03497	1.7
125.02429	2.2
126.02661	0.6
131.03497	2.8
143.03448	3.1
159.02901	1.6
161.04544	4.7
171.10225	1.7
173.04492	2.0
191.05623	4.0
206.93492	0.6
209.11871	3.2
221.06595	0.7
225.11255	1.4
253.09216	0.9
254.23619	0.7
345.75369	0.7
389.25348	2.9
396.55411	0.7
431.26175	1.2
449.28055	0.7
551.30273	3.1
697.36761	1.4
739.37225	1.5
757.38556	100.0
758.38922	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37548	2.2
59.01375	37.3
61.98830	15.4
66.71873	2.3
69.03402	2.4
69.72457	14.2
71.01387	29.9
73.02948	3.9
79.95729	3.8
81.03463	5.9
83.05007	3.0
84.95105	4.9
85.02948	5.3
89.02427	5.2
93.03438	7.2
96.96002	38.3
98.19720	2.6
99.00860	5.8
101.02436	9.9
109.02960	4.2
109.06570	12.4
110.29770	2.6
113.02433	7.2
117.23383	2.3
119.03549	3.2
119.58847	2.4
121.06596	3.2
123.04539	2.7
125.02454	2.7
125.09727	3.6
129.14084	2.1
131.40952	2.2
135.04517	2.8
135.08121	6.7
136.05278	6.0
137.02411	2.5
137.05992	3.9
139.07635	8.1
149.06038	4.4
149.09718	5.7
151.00320	3.5
151.07623	16.9
162.06848	18.5
163.11269	10.9
165.12840	2.7
171.10216	6.6
173.04552	10.3
175.07625	7.7
177.09219	22.5
178.99774	3.8
181.12291	13.7
191.05615	17.0
197.11847	3.4
197.23758	2.2
199.13312	8.7
207.10228	40.5
209.11830	100.0
210.12106	8.9
225.11324	51.7
226.11740	3.6
227.12849	19.5
231.16006	2.8
235.08167	4.2
243.12376	12.6
253.09224	14.3
299.01993	2.5
333.64722	2.7
341.81351	2.6
445.20840	3.4
457.28110	4.3
459.29578	6.6
461.20325	13.2
479.21396	9.4
635.30658	4.1
653.30090	11.5
669.38684	6.9
671.31854	13.1
672.32892	5.9
689.33582	25.3
690.34113	7.4
695.39691	4.5
713.40930	11.2
721.36548	9.1
757.31744	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	757.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01373	21.9
61.98824	6.0
62.83411	1.5
70.20415	3.5
70.20804	3.1
71.01379	19.9
72.62421	1.7
73.02927	3.7
78.95933	2.1
79.76911	1.4
79.95745	2.4
81.03436	1.8
82.95409	7.2
83.05024	4.2
85.02951	7.1
87.00863	2.4
88.98811	1.8
89.02418	2.4
93.03463	6.7
96.96007	20.7
97.02921	4.3
98.95589	2.1
99.00875	3.6
101.02444	6.5
109.02935	1.6
109.06579	15.0
111.04527	1.8
113.02444	3.7
115.06490	1.5
116.76566	1.6
125.09776	2.6
134.68501	1.7
135.03238	1.6
135.08151	3.3
136.05322	4.0
137.06020	2.6
139.07658	3.3
149.09676	1.5
151.00346	3.6
151.07655	14.8
158.80573	1.9
161.04607	2.7
162.06831	3.5
163.11270	12.3
165.12854	3.7
171.10222	5.5
173.04526	5.2
173.77272	1.5
175.07584	1.9
177.09178	3.4
178.99791	3.0
181.12332	3.9
185.11774	2.1
187.03877	1.7
187.07576	2.2
191.05592	20.5
192.05925	1.9
193.08792	1.9
199.09752	1.6
199.13351	2.2
207.10248	45.7
208.10573	2.2
209.11807	100.0
210.12131	5.7
225.11299	29.5
227.03481	1.6
227.12845	15.8
228.13098	1.7
235.08221	2.0
243.12364	4.1
247.13531	1.8
253.09169	10.4
301.95911	1.6
399.21854	2.6
417.22687	3.9
461.20212	12.2
462.20538	2.3
479.21198	1.9
565.27936	4.4
578.09595	2.0
593.22131	1.9
635.30756	6.6
636.30505	1.8
653.31543	6.6
669.38342	3.4
671.31531	11.8
671.42560	2.3
672.33197	5.0
689.33557	4.1
695.39618	1.8
713.40570	6.0
714.41901	2.3
757.31891	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	755.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
57.03434	2.8
58.00582	1.0
59.01378	55.2
60.01686	0.7
61.44214	0.6
61.98829	82.9
62.98536	0.7
63.99237	0.9
67.01890	1.6
68.99836	0.7
69.03444	2.7
69.75722	0.6
71.01383	38.2
71.63121	0.7
72.99295	2.8
73.02943	10.7
79.19601	0.7
79.95735	1.3
80.96505	1.7
81.03458	0.8
83.01391	8.1
85.02946	23.6
87.00899	5.2
89.02447	9.6
93.03437	2.8
95.01390	5.2
96.96014	10.7
97.02928	3.2
99.00881	5.6
101.02441	26.1
109.02891	0.9
111.00888	4.7
113.02449	16.9
119.03477	2.7
124.01601	1.1
125.02438	5.4
129.01941	1.3
131.03444	0.7
134.03780	0.7
137.02402	0.9
143.03500	3.3
151.00305	0.9
156.84384	0.7
159.02985	1.8
161.04564	3.9
161.05688	0.7
171.13879	1.2
173.04486	3.5
191.05598	10.4
207.90723	0.6
209.11792	1.2
279.23404	0.8
299.25851	2.3
314.09073	0.7
345.30096	5.9
489.34094	3.5
490.33984	0.9
507.35129	9.0
508.35541	1.3
549.36530	1.1
563.19794	1.0
615.37720	0.8
651.39581	100.0
652.39941	22.9
669.40613	57.5
670.41016	12.0
671.67664	0.8
711.41687	30.0
712.41968	6.1
755.33850	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	755.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77949	0.7
52.80006	0.9
53.84234	0.8
55.01864	2.7
57.03437	2.9
58.00581	1.4
59.01376	58.3
61.98814	2.4
69.03442	1.9
70.47878	0.8
71.01378	39.2
71.63612	1.5
72.99294	2.6
73.02941	11.3
75.00851	1.0
79.95748	1.0
80.96536	1.6
81.03434	0.8
83.01385	7.0
85.02945	20.3
85.72939	0.8
86.00069	1.0
87.00877	3.9
89.02443	11.0
93.03432	2.4
95.01370	5.2
96.96007	15.8
97.02926	2.3
99.00874	4.6
101.02437	23.4
102.02740	0.8
111.00884	4.3
112.01678	1.3
113.02437	19.0
119.03476	3.2
124.01637	1.4
125.02426	3.1
134.03653	0.9
137.02419	1.0
138.05511	1.1
143.03479	3.5
159.02910	1.4
161.04515	3.2
173.04497	3.7
191.05576	10.6
225.00699	1.0
299.25778	1.7
345.29922	3.7
363.12653	0.9
391.19604	0.9
489.34198	3.8
507.35046	5.8
591.14276	0.9
615.37427	1.1
651.39545	100.0
652.28693	1.0
652.39758	20.6
669.40576	55.9
670.40845	10.1
711.41638	37.9
712.42249	8.0
755.32257	3.2
756.34619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.0
59.01372	10.6
61.98834	13.1
63.02401	6.7
65.00323	12.8
69.25626	3.1
69.26032	10.9
71.01377	6.4
73.02926	3.2
78.46772	1.2
79.95720	1.4
80.96489	2.0
82.95392	4.3
83.01369	11.8
83.05026	1.3
85.02942	4.5
90.08195	1.2
93.03434	3.4
95.01380	1.7
96.95999	31.8
98.95585	2.2
99.00836	1.7
101.02431	3.8
107.01376	25.2
109.02915	3.8
113.02423	2.3
120.92484	1.3
121.02927	5.2
124.01643	4.1
125.02444	17.6
135.04535	1.7
136.05223	1.4
137.02296	1.7
146.03654	2.1
148.64178	1.3
149.09697	1.5
151.00351	93.2
152.01149	10.0
152.11638	1.3
152.52225	1.4
153.01903	4.3
159.04485	6.0
160.05338	2.8
161.02539	1.4
161.04527	1.7
163.00354	1.9
169.01448	9.7
171.10277	1.9
173.04492	4.9
173.05914	2.0
174.03171	1.7
175.04024	1.9
178.99838	100.0
180.00130	5.1
181.12318	1.6
187.03931	4.6
188.04797	2.8
191.05576	11.6
193.05029	2.0
197.06052	1.8
197.11885	1.7
199.04004	2.1
207.10237	1.8
209.04515	3.8
209.11821	17.0
211.04070	1.7
211.13498	1.7
212.04735	2.2
213.01889	8.0
215.12877	1.4
225.05499	2.3
227.03418	3.9
229.12418	1.5
240.04099	1.4
242.02136	1.5
243.03018	2.0
253.09254	2.7
255.02971	3.2
257.11746	1.9
265.04874	1.5
267.10065	1.8
271.02545	4.0
279.02969	1.5
281.08038	2.5
291.19586	2.2
293.04486	3.6
296.03253	4.4
299.01920	5.0
300.02740	8.8
304.16467	1.6
309.03958	5.1
309.20547	6.6
321.04031	11.3
322.04782	14.8
323.05615	7.0
325.03577	6.8
327.21521	1.7
349.03461	3.6
351.05124	4.6
413.12372	6.0
425.19345	1.5
439.21036	1.6
465.18835	2.6
485.10626	1.5
522.14972	2.0
523.15857	2.9
573.21112	3.6
584.92487	1.5
591.22235	29.7
592.22363	5.9
609.23236	26.4
610.23474	5.0
629.26160	2.5
686.22119	3.0
755.29053	89.3
756.29248	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01379	21.3
60.99298	1.3
66.04896	0.4
67.01886	4.8
69.03448	1.2
69.95079	1.6
70.75839	0.4
71.01373	7.1
73.02939	0.8
79.95737	0.5
81.03448	0.8
83.04996	1.0
85.02944	7.2
87.00864	6.9
89.02444	4.5
91.73187	0.4
93.03448	33.2
94.03784	1.1
95.01394	0.5
96.73578	0.5
96.95998	12.9
98.20670	0.5
99.00874	0.8
99.04511	0.6
101.02435	4.2
109.02952	0.9
111.04504	4.6
113.02437	2.7
117.03450	1.3
119.03480	2.1
124.57818	0.4
127.04015	1.8
129.01912	0.9
134.03725	14.0
135.04315	0.4
137.02412	2.0
137.43701	0.4
149.06068	1.3
155.03481	1.5
160.01711	0.5
163.11176	2.2
171.02971	0.5
173.04527	40.4
174.04884	1.8
175.03918	0.6
191.05591	100.0
192.05965	3.7
193.05048	9.2
207.10223	4.3
207.85020	0.4
208.10640	0.6
233.52109	0.4
255.02869	0.7
284.03159	1.4
285.03882	0.6
305.07315	0.5
305.10507	2.0
367.10287	40.3
368.10684	4.2
387.16559	69.3
388.16904	8.3
434.19858	0.5
446.79520	0.5
563.12982	1.8
593.14618	2.3
662.63971	0.5
755.19739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2033
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.70631	0.4
59.01375	1.2
63.02399	0.5
65.00326	0.9
67.01873	0.5
69.88588	1.7
83.01375	0.8
85.02945	0.8
87.00871	1.0
93.03449	3.8
96.96015	1.4
107.01372	1.2
109.02916	0.4
111.00694	0.3
117.03459	1.0
120.86481	0.3
121.62527	0.3
134.03706	1.3
151.00322	2.7
153.01862	0.4
159.04503	0.7
163.00333	0.7
167.84596	0.4
169.01428	0.4
171.92430	0.3
173.04552	2.4
178.99776	0.5
183.04491	1.3
185.06012	0.5
187.03970	0.7
191.05602	15.3
192.05832	0.5
193.04984	0.6
211.03983	1.9
213.05588	0.6
215.03331	0.3
227.01257	0.6
227.03487	12.3
228.03900	0.9
229.05049	1.5
230.05373	0.4
239.03609	0.8
241.04939	0.5
241.50409	0.3
255.02957	43.1
256.03491	4.0
257.04483	2.1
269.04370	0.4
283.02454	52.5
284.03192	47.0
285.03976	33.4
286.04410	2.9
297.03943	0.5
301.18872	0.4
326.04239	0.5
327.05042	1.9
361.48849	0.3
367.10242	5.8
368.10886	0.4
387.16559	1.0
446.08389	3.4
447.08954	0.8
488.26367	0.3
593.15045	100.0
594.15332	16.1
612.58246	0.4
635.16058	0.7
755.20270	6.5
756.20801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65215	0.9
59.01374	3.4
62.05174	0.9
64.80939	0.8
71.01381	3.1
81.03453	1.2
83.05032	1.1
85.02441	1.1
85.02948	17.8
87.00867	3.5
93.03463	9.8
96.21787	0.8
96.96019	4.6
99.04521	1.1
109.02936	1.9
111.04504	2.8
113.89568	1.0
116.26266	1.0
127.04003	4.2
135.04515	2.0
145.02921	1.1
150.05553	2.3
151.03891	1.1
161.02423	3.5
163.03964	1.9
173.02422	1.5
173.04555	3.6
174.03169	2.4
175.03903	2.2
180.76118	0.9
191.05600	100.0
192.05920	2.8
194.09439	0.9
199.97655	0.9
201.01886	3.7
215.11826	1.6
226.08961	1.2
233.04485	3.5
234.05444	1.1
235.06400	1.9
236.06995	1.1
238.08870	2.3
239.08363	1.5
241.09811	3.4
248.07101	1.7
249.04129	2.6
250.05013	5.2
251.05835	2.6
253.03795	5.4
253.09746	1.9
263.05795	3.7
264.06638	11.8
265.07162	1.4
266.08423	6.7
273.80533	1.0
276.06644	2.8
277.03806	2.9
277.07117	1.1
278.04495	2.2
281.03268	1.2
281.09262	6.6
282.07565	1.6
292.06131	10.4
293.06750	3.7
293.09641	1.2
294.07614	2.7
295.04889	7.4
296.05399	2.3
296.09128	1.6
304.09268	1.0
307.08023	1.3
308.05722	2.3
309.06403	6.0
310.07208	5.1
319.04816	2.7
320.05487	2.6
322.07129	2.3
324.08783	3.2
336.05099	3.8
344.09238	1.1
350.06610	1.7
351.07574	3.1
353.05286	2.2
354.06058	1.9
355.06863	1.4
356.12927	1.1
357.12408	4.0
365.51801	1.0
369.08594	1.7
373.12671	2.8
383.09976	1.2
395.06143	1.2
399.13580	6.3
400.13257	1.0
401.11023	2.2
402.10889	1.7
425.11261	1.9
432.14478	5.6
443.12399	9.5
444.12241	2.4
469.10443	1.6
475.15155	8.9
476.15143	1.6
487.11307	4.5
501.13260	2.6
519.14001	11.6
520.14227	2.7
531.10474	3.3
532.10938	1.2
537.15094	1.5
545.11859	2.2
563.13043	57.8
564.13361	11.1
581.13776	6.6
711.20386	10.9
712.20807	3.1
723.16364	2.6
755.19348	44.4
756.19690	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	754.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.08926	0.1
61.98824	100.0
62.98526	0.2
69.26483	0.9
69.90775	0.1
71.01391	0.4
78.95947	0.1
80.25583	0.1
80.96516	0.2
85.02950	0.2
89.02428	0.2
93.03467	0.2
96.95998	0.6
101.02433	0.2
113.02441	0.1
115.00163	0.1
126.81094	0.1
135.04512	0.3
151.00398	0.2
155.83409	0.1
171.10249	0.2
173.04550	0.4
191.05666	0.4
207.10281	0.3
209.11861	0.3
211.13397	0.1
225.11256	0.3
227.03429	0.1
234.00266	0.1
243.12152	0.1
255.03015	0.2
271.02448	0.1
293.21103	0.6
294.21454	0.6
295.21948	0.3
380.52414	0.1
415.14856	0.1
417.15018	0.2
593.28668	0.1
687.32300	0.3
754.34241	0.3
755.30652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76824	1.2
57.03440	3.7
59.01376	20.9
61.98811	3.8
65.15956	1.3
69.03450	2.6
71.01373	11.0
71.17786	1.7
73.02941	3.0
78.95904	1.3
80.02688	2.0
81.03444	5.2
83.01373	3.1
83.05022	6.9
84.02178	1.6
85.02932	3.3
85.91203	1.3
87.00858	1.9
89.02439	5.4
93.03446	2.1
95.05012	2.3
95.23795	1.5
96.96006	1.6
97.02944	10.7
97.06573	3.1
101.02443	9.8
109.06584	29.3
111.08157	7.3
113.02418	7.1
121.02916	1.5
121.06563	2.2
123.04505	2.3
125.09693	3.7
135.08165	4.3
137.09724	1.7
142.02698	2.3
161.04541	3.7
161.09657	2.3
163.11281	22.2
165.12846	4.5
169.12335	3.2
171.10229	3.7
181.12373	6.4
185.11806	3.1
189.09189	3.9
191.14406	4.5
197.11816	35.1
198.12112	1.8
199.13451	2.8
207.10249	94.6
208.10561	6.4
209.11815	100.0
210.12144	6.4
211.13367	5.0
225.11314	36.1
226.11487	2.3
227.12874	12.5
235.08202	10.6
237.11166	1.7
245.19055	4.9
253.09271	29.2
255.02995	1.6
263.20197	3.3
271.02435	3.3
289.18082	28.1
290.18420	3.7
291.19629	21.0
292.20038	2.0
293.21188	1.7
299.02005	2.9
300.02667	1.8
307.19119	21.5
308.19345	2.6
309.20709	52.8
310.21005	4.8
379.42725	1.4
417.84103	1.5
443.19061	4.9
446.08026	1.5
461.20340	8.5
519.65662	1.5
545.28711	1.6
606.24548	4.6
607.25549	4.4
637.32550	2.1
735.39490	4.7
753.30371	10.0
753.41779	35.0
754.29681	2.0
754.42133	9.2
763.31769	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	753.406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
58.00608	1.1
59.01122	0.9
59.01376	9.4
61.98827	3.9
69.03441	3.2
69.49445	0.7
71.01380	7.9
71.05012	1.9
71.62507	0.7
71.62908	1.0
73.02941	1.4
75.00869	7.3
76.97642	0.9
78.95891	2.1
83.05024	1.7
85.02953	2.3
87.00864	1.3
89.02440	3.2
96.40248	0.8
96.95977	1.3
97.06583	1.5
99.00793	1.2
101.02405	4.4
109.06554	1.0
111.08142	1.2
113.02431	3.5
119.03466	0.9
125.09734	1.8
143.88544	0.7
151.11241	2.3
153.12837	1.8
161.09709	1.7
163.11221	2.6
171.10231	3.7
179.10710	6.7
181.12154	0.8
191.05698	0.9
195.13849	3.5
197.11809	74.1
198.12257	4.6
200.69495	1.0
207.10236	5.9
209.11787	18.4
223.09766	2.0
223.13393	2.5
225.11200	5.0
227.12935	4.0
235.08229	1.3
241.10684	4.0
253.09229	6.4
271.02588	0.9
275.20050	2.5
286.93289	0.9
289.18051	3.1
291.19580	3.6
293.21198	11.0
294.21460	2.0
305.92715	0.8
307.19150	4.1
309.20657	3.1
339.45633	0.8
461.20483	1.1
477.19626	2.2
646.53583	1.0
753.40576	100.0
754.40979	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	753.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01377	1.4
60.99308	1.3
67.01881	4.0
69.03446	1.0
71.01373	1.7
71.81715	0.2
73.02940	0.3
81.03430	0.9
83.05013	0.7
85.02939	4.0
87.00871	5.1
89.03941	0.3
93.03452	28.3
94.03779	0.8
99.00878	0.3
99.04517	0.8
101.02433	0.2
109.02949	0.8
111.00883	0.2
111.04509	4.2
113.02443	0.5
115.04009	0.4
117.03478	0.9
127.04000	1.4
129.01930	0.7
134.03743	9.5
135.04073	0.4
137.02451	0.5
143.03447	0.4
149.06055	0.9
155.03517	1.4
158.64653	0.2
160.01675	0.4
171.03033	0.3
173.04533	20.2
174.04886	0.9
175.03958	0.5
178.02742	0.2
190.68340	0.2
191.05595	100.0
192.05934	4.1
192.39578	0.2
193.05034	7.3
194.05464	0.4
230.04227	0.2
286.50897	0.2
367.10281	45.8
368.06329	0.3
368.10654	4.6
609.54022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
58.82634	1.4
59.01375	26.1
60.99284	1.4
61.98825	94.0
69.03466	1.9
70.22932	2.8
71.01380	14.1
72.99307	2.0
73.02950	4.7
80.96507	2.9
81.03452	3.5
83.01383	3.7
83.05017	6.9
84.02165	1.9
85.02946	6.8
87.00874	5.3
89.02444	4.9
93.03452	5.4
95.04984	1.5
96.95995	12.3
98.95567	1.9
101.02444	10.0
109.06607	1.3
113.02452	8.1
119.95279	1.4
120.46881	1.3
125.02435	3.0
134.03654	1.6
143.03436	2.0
157.76668	1.4
159.06601	1.5
161.04573	2.8
163.11284	6.0
165.12874	2.7
169.12338	28.8
171.10268	2.8
173.04549	9.0
179.03337	1.4
181.12401	2.1
191.05606	19.4
191.10689	2.0
197.11829	55.3
198.12192	4.3
201.11377	3.3
209.11815	100.0
210.12102	6.7
227.12817	6.7
230.06210	1.3
253.09172	7.0
399.62576	1.7
631.37231	2.4
647.36023	6.6
649.37903	7.5
665.37305	5.0
687.32281	19.3
688.32678	2.5
707.39398	2.6
709.39813	2.1
719.34906	41.5
719.47858	2.8
720.35352	7.8
751.37848	58.7
752.38379	10.5
758.85260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
58.00597	1.6
59.01380	31.8
61.98828	86.3
69.03422	1.7
71.01384	25.2
71.05015	1.8
72.99329	2.3
73.02940	6.1
76.26369	1.5
78.95900	2.3
79.95731	2.1
80.96527	5.4
83.01400	3.3
85.02947	6.6
87.00871	5.8
89.02435	23.5
93.03473	3.0
95.01408	3.2
96.95984	7.9
97.02963	5.2
101.02438	19.3
113.02463	9.7
119.03503	5.5
125.02438	8.2
143.03523	2.8
161.04570	4.2
171.10252	1.9
173.04539	3.1
179.05591	4.0
191.05586	5.2
207.10281	2.4
209.11726	8.0
225.11389	2.2
229.08556	1.4
231.21210	2.2
235.08226	8.2
235.17030	31.2
236.17352	2.9
275.20142	42.4
276.20590	3.1
287.07901	2.0
288.93558	1.6
293.21210	100.0
294.21487	11.8
305.08838	3.2
305.17145	1.9
397.13434	78.8
398.13727	7.3
415.14508	51.6
416.14935	4.0
673.33960	3.0
751.30353	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98816	0.4
71.01378	1.0
72.99303	2.7
75.00867	100.0
76.01210	1.0
83.01424	0.1
85.02950	0.2
87.00880	0.4
89.02427	0.9
95.01411	0.1
97.02956	0.2
101.02428	1.0
113.02456	0.4
113.15102	0.1
119.03493	0.4
125.02425	0.5
157.18823	0.2
161.04526	0.3
179.05658	0.2
197.62424	0.2
207.10229	0.1
217.60310	0.1
235.08224	0.6
253.09283	0.2
277.21692	3.5
278.22076	0.4
287.07770	0.2
305.08707	0.2
311.11737	0.1
397.13483	6.7
398.13928	0.7
415.14532	2.1
416.14844	0.2
447.57837	0.1
675.36627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
57.03443	6.1
58.00591	2.1
59.01374	54.3
69.03430	1.9
70.95089	1.8
70.95406	2.0
71.01375	60.3
72.01704	1.5
72.99286	4.1
73.02938	29.6
75.00868	1.7
83.01378	12.8
85.02944	32.9
85.99985	1.4
86.03242	1.3
87.00871	8.8
89.02441	18.6
92.59904	1.2
93.03436	2.4
95.01406	6.3
96.95988	5.0
97.02946	4.6
99.00871	16.8
101.02437	49.0
109.02917	1.5
111.00885	1.7
112.01649	4.8
113.02443	38.9
119.03478	4.9
121.02910	1.4
122.63686	1.2
125.02448	9.3
129.01854	1.2
131.03482	1.4
135.04451	1.3
143.03461	7.3
149.09636	1.5
151.00371	1.9
159.02957	4.3
161.04536	14.9
173.04471	3.8
190.48247	1.4
191.05591	12.4
194.44156	1.5
209.15437	12.1
305.17648	7.4
371.20721	17.7
372.20996	2.3
386.71689	1.3
503.24890	42.2
504.25278	7.0
515.24890	8.7
516.24976	1.3
533.25836	5.2
545.25818	5.1
569.26025	1.6
575.26880	17.8
576.27655	1.6
647.29156	21.4
648.29449	3.5
665.30225	38.6
666.30353	7.5
707.31244	100.0
708.31360	23.3
750.68225	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	751.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.2
58.00586	2.7
59.01374	100.0
60.01721	2.6
67.39308	1.5
69.03433	2.1
71.01375	68.2
72.99303	4.2
73.02939	38.7
83.01380	9.1
85.02946	31.2
87.00857	3.3
89.02433	59.2
91.92971	1.8
93.03464	9.9
95.01384	7.9
96.95996	17.5
99.00867	89.8
100.01189	3.3
101.02437	31.3
113.02444	51.5
114.02731	1.9
119.03495	8.3
125.02444	2.9
127.03947	2.6
131.03514	16.6
138.01959	2.6
143.03511	8.0
149.04539	72.9
150.04848	2.3
151.00394	4.5
155.03477	2.4
161.04523	20.7
173.04538	13.8
179.05539	7.7
191.05589	83.5
192.05914	2.9
201.29140	1.7
215.05592	6.5
233.06627	29.3
234.06763	1.9
269.10034	2.1
293.08722	16.5
294.05399	2.5
311.09894	4.2
353.06500	7.2
387.22037	1.6
475.05579	1.7
485.23920	42.9
486.24115	7.5
527.24805	6.8
647.29211	9.0
665.29993	7.7
707.30908	18.7
708.31256	4.8
751.17493	2.4
751.68237	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	749.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59879	1.0
52.94428	1.0
55.01868	3.3
57.03436	4.2
57.47564	1.1
58.00578	4.4
59.01377	100.0
59.86283	1.0
60.01719	1.6
60.99277	1.8
61.98825	3.0
69.03452	1.3
71.01379	75.3
71.63518	1.5
72.99312	5.2
73.02944	13.6
81.03447	1.2
83.01386	9.6
85.02946	30.2
85.39030	1.0
87.00883	7.1
87.04526	3.3
88.98820	6.5
89.02442	38.1
93.03467	5.8
95.01386	6.1
96.95991	11.5
97.02948	1.6
99.00866	4.6
101.02443	39.4
111.00841	1.3
113.02446	37.9
116.92738	1.1
119.03493	13.8
124.01670	1.9
125.02398	3.8
129.01868	1.7
131.03490	3.0
135.04459	1.5
143.03491	7.2
149.02449	1.7
149.04521	1.9
150.03207	1.2
155.03494	1.5
155.10793	1.1
161.04556	8.4
165.05539	2.3
173.04506	7.6
179.05540	5.4
179.06975	1.9
187.07344	1.2
191.05609	13.7
195.06538	1.6
309.07391	1.2
324.27545	1.2
354.35397	1.1
381.81070	1.5
483.29749	8.8
501.30743	5.7
622.59979	1.4
645.34839	92.2
646.35339	19.0
663.35876	65.5
663.47253	1.9
664.36420	13.0
705.36969	35.7
706.37335	9.3
749.37537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01375	22.8
61.98826	71.6
71.01375	17.8
71.63587	2.9
73.02943	2.6
76.64978	1.3
79.11634	1.3
80.96482	1.7
81.03458	1.5
83.01389	4.0
85.02955	4.5
87.00887	4.2
89.02438	12.3
93.03445	1.8
96.95999	7.1
97.02915	1.7
99.00885	1.6
99.50254	1.8
101.02438	11.2
109.06570	1.8
111.08161	8.2
113.02417	7.7
119.03484	3.9
125.02435	4.8
133.04948	1.6
133.31248	1.5
134.03665	1.6
142.15378	1.5
143.03514	1.9
161.04597	1.8
167.10730	1.5
173.04434	1.6
179.05582	2.5
191.05537	3.0
193.05043	2.0
195.13840	5.6
197.11897	1.8
207.10274	2.6
209.11810	10.3
211.13315	3.4
227.12813	2.4
235.08246	5.4
247.20432	1.6
249.06300	1.4
253.09146	1.6
291.19638	100.0
292.19910	11.3
397.13474	47.9
398.13742	4.6
415.14514	25.6
416.14761	1.8
548.57562	1.8
689.32947	12.5
690.33862	4.2
749.28278	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	749.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.01378	20.2
61.98827	68.7
68.54301	1.3
71.01376	16.6
73.02931	2.7
78.69219	1.2
78.91872	5.8
78.95834	1.2
81.03446	1.3
85.02943	4.6
87.00849	3.0
89.02435	13.5
96.95992	5.0
97.06590	2.1
99.00838	1.5
101.02437	12.6
101.03498	1.3
111.00833	1.3
113.02448	6.2
119.03520	3.6
121.10211	7.4
125.02417	5.1
125.09707	5.5
127.52860	1.5
143.03452	2.4
161.04512	3.0
170.69928	1.2
171.10219	1.6
173.04472	1.9
179.05566	2.7
185.11850	11.3
186.12022	1.6
191.05588	3.6
197.11732	2.8
209.11842	11.2
210.12090	1.6
211.13391	12.0
219.38287	1.4
225.11349	1.6
227.12871	3.4
235.08170	5.4
248.48933	1.3
273.18613	1.6
291.19638	100.0
292.20071	10.3
305.08691	1.2
360.57733	1.6
383.59479	1.4
397.13474	49.0
398.13666	3.5
415.09589	2.4
415.14600	25.1
416.14853	2.6
447.22736	1.7
630.72357	1.4
689.34131	13.9
690.34088	3.6
725.87219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.0
61.98816	4.2
70.35133	2.4
70.35519	4.8
71.01367	12.1
72.99311	1.6
85.02950	2.5
89.02439	16.9
92.94131	1.4
95.01349	2.7
101.02417	9.7
113.02443	7.5
119.03468	7.9
143.03462	3.2
161.04582	1.8
179.05563	6.3
194.96658	1.4
225.22151	4.4
253.15363	1.5
253.21758	1.9
271.22641	2.3
278.25046	1.8
320.39130	1.7
330.74973	1.5
379.17627	1.6
412.63065	1.7
532.47369	14.5
533.47571	2.6
550.48047	5.6
615.02911	1.5
712.53571	100.0
713.54065	27.5
748.51172	27.9
749.51526	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	749.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01375	22.8
61.98826	71.6
71.01375	17.8
71.63587	2.9
73.02943	2.6
76.64978	1.3
79.11634	1.3
80.96482	1.7
81.03458	1.5
83.01389	4.0
85.02955	4.5
87.00887	4.2
89.02438	12.3
93.03445	1.8
96.95999	7.1
97.02915	1.7
99.00885	1.6
99.50254	1.8
101.02438	11.2
109.06570	1.8
111.08161	8.2
113.02417	7.7
119.03484	3.9
125.02435	4.8
133.04948	1.6
133.31248	1.5
134.03665	1.6
142.15378	1.5
143.03514	1.9
161.04597	1.8
167.10730	1.5
173.04434	1.6
179.05582	2.5
191.05537	3.0
193.05043	2.0
195.13840	5.6
197.11897	1.8
207.10274	2.6
209.11810	10.3
211.13315	3.4
227.12813	2.4
235.08246	5.4
247.20432	1.6
249.06300	1.4
253.09146	1.6
291.19638	100.0
292.19910	11.3
397.13474	47.9
398.13742	4.6
415.14514	25.6
416.14761	1.8
548.57562	1.8
689.32947	12.5
690.33862	4.2
749.28278	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	743.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52059	0.5
55.01864	2.1
57.03433	2.0
59.01375	26.3
61.98814	2.1
69.03446	1.6
69.30347	0.5
69.46465	2.6
69.46890	1.5
70.37794	0.5
71.01375	31.6
72.01728	0.5
72.99300	1.9
73.02939	11.9
73.18054	0.5
74.88576	0.5
75.00880	0.7
83.01387	6.4
83.05015	0.8
85.02943	13.6
86.00079	1.3
87.00874	4.9
87.04497	1.2
89.02439	6.9
93.03434	2.5
95.01375	2.7
96.95998	7.0
97.02952	1.3
99.00871	4.2
99.04536	0.8
101.02434	18.8
102.02763	0.7
109.02953	0.7
111.00915	0.9
112.01683	1.0
113.02436	13.8
115.04004	1.5
119.03472	2.4
125.02433	1.7
127.04025	0.7
131.03485	2.0
137.02431	1.3
143.03496	3.8
151.28891	0.6
159.02940	1.8
161.04509	4.0
163.11243	0.6
171.10239	2.2
173.04538	2.9
191.05611	8.4
201.11267	1.4
205.07152	1.3
207.10251	0.6
209.11819	4.9
213.18675	0.7
225.11238	2.0
227.12787	0.9
241.01479	0.8
271.02496	0.6
299.02048	1.3
300.02527	0.6
375.23853	2.9
413.17642	0.6
453.96432	0.6
537.29175	2.4
653.31165	0.7
671.33228	1.1
683.34985	2.1
705.20703	0.8
725.35156	1.2
733.41010	0.7
743.36981	100.0
744.37311	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01300	2.2
57.46997	2.3
59.01377	40.3
61.98817	8.2
65.52033	2.6
67.01878	3.7
69.03420	3.4
70.95316	5.2
71.01371	21.3
73.02940	6.0
74.53114	2.3
83.01357	3.3
83.04998	2.9
85.02955	11.6
87.00847	6.7
89.02438	15.6
93.03457	8.7
96.96001	25.5
97.02944	4.0
99.00867	5.1
101.02420	12.6
107.01501	2.4
109.02962	4.7
111.08152	6.6
113.02437	12.3
119.03452	4.5
133.02927	2.7
134.03720	3.4
135.04503	4.1
137.02483	3.7
149.06105	3.3
161.04613	2.9
163.05995	2.3
163.11205	3.1
169.12386	3.4
171.10297	5.4
173.04520	16.8
179.05573	6.7
191.05582	52.8
192.05910	3.4
194.05339	2.9
195.30769	2.1
197.11815	26.5
201.11319	5.8
207.10205	8.3
209.11815	41.7
210.12106	5.9
211.13400	4.4
223.03990	2.7
223.06877	2.4
225.11250	7.9
227.12805	10.9
235.08170	5.8
253.09117	6.0
272.70374	2.5
291.19553	10.1
309.20691	100.0
310.20969	7.4
365.14011	2.3
379.49640	2.7
397.13434	37.0
415.14532	40.2
416.14951	3.1
535.28967	5.0
594.71527	2.9
595.31342	3.7
613.31885	10.1
614.32513	3.4
699.37445	3.2
707.34869	21.5
708.34314	5.0
736.75250	2.6
743.32715	77.8
744.33191	16.9
745.49603	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	743.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86501	0.8
59.01374	6.2
61.98829	22.0
65.99848	14.1
68.01407	1.2
70.63047	2.1
70.63387	1.3
71.01380	2.4
73.02938	1.0
78.95904	1.4
83.01382	1.3
85.02953	1.2
87.00880	1.5
89.02457	2.1
93.03446	2.5
94.02950	4.6
96.96012	12.1
98.95576	1.2
99.62830	0.9
101.02429	1.1
106.06601	1.4
107.12134	0.9
108.04509	1.5
109.02930	0.9
112.04033	1.0
112.49561	0.8
113.02467	1.0
118.06638	1.5
121.01726	1.3
121.03002	1.0
122.02476	14.2
122.06116	16.8
122.06998	0.7
122.82681	1.2
123.06432	1.2
134.06133	6.3
136.01657	2.1
136.04004	2.4
136.07669	17.5
137.08041	1.0
138.05614	1.2
140.03523	1.1
142.05113	1.0
146.06090	2.9
148.03996	1.2
148.07686	1.8
149.04730	1.2
150.05588	5.4
151.00296	1.4
151.03987	2.8
152.03494	5.3
152.07146	1.5
153.04289	1.6
154.05124	1.7
155.79875	0.9
160.04128	1.3
160.07625	2.2
161.04691	2.0
162.05640	4.4
164.05807	1.8
164.07156	24.4
165.07507	2.1
166.05055	1.8
168.06638	2.2
169.05063	5.1
172.07722	1.4
173.04558	4.7
173.07214	1.1
174.05594	2.1
174.09245	1.5
176.03505	3.2
176.07152	10.1
178.05048	2.0
178.08688	4.7
180.06621	5.7
181.35916	0.9
184.07614	0.8
187.06519	1.0
188.03410	1.0
189.06712	3.7
191.05591	12.4
191.08272	3.5
196.06133	2.1
201.06636	1.8
201.10336	2.2
202.08760	6.3
203.08257	4.4
204.06638	1.9
205.09830	1.7
206.08240	4.5
215.08250	1.9
217.06078	1.2
217.09781	2.6
218.08176	3.7
221.06873	7.4
222.07721	9.6
224.05608	4.6
225.06178	1.0
225.08025	8.0
227.08116	1.8
228.06635	4.2
229.06161	2.6
233.09283	17.8
234.09654	1.4
238.07239	1.9
239.07961	1.4
240.08699	2.1
245.09294	100.0
246.09650	7.2
251.10356	6.3
259.07211	1.5
263.10468	1.0
269.09293	1.1
280.44971	0.8
289.08289	33.0
290.08612	2.4
298.09833	1.0
299.10397	1.6
301.11938	1.6
303.09177	1.3
311.10382	1.2
321.10849	24.1
322.11078	1.3
323.13770	1.7
325.11859	1.0
343.12827	2.6
353.14975	3.0
357.13278	1.6
358.13791	2.2
359.13712	1.6
361.13898	3.4
363.11829	1.2
365.60495	1.0
371.16046	1.4
379.13004	1.1
385.14047	3.3
396.15863	1.2
397.13937	2.1
403.15018	35.6
404.15488	4.3
415.15173	1.3
421.16156	46.1
422.16409	6.4
440.14923	1.2
458.16010	0.9
459.13947	1.4
469.01511	0.9
490.18726	1.3
491.17270	1.5
588.62817	1.1
649.24884	2.2
667.25354	2.0
675.23480	1.3
683.26489	1.0
693.24139	13.0
694.24561	3.4
711.25165	11.2
712.25464	2.6
725.26733	10.0
726.26947	1.8
743.27887	8.1
744.27515	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	743.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35073	0.5
53.28515	0.4
59.01371	5.6
59.52132	0.5
60.36314	0.5
61.98832	2.4
67.01862	0.5
69.49281	3.6
71.01383	2.6
71.99647	0.4
73.02932	0.5
73.77954	0.4
78.95896	0.6
85.00386	0.5
85.02950	1.4
93.03432	1.5
96.96001	22.7
98.95573	8.7
98.96395	1.5
101.02413	1.5
113.02451	1.5
121.02959	3.1
122.03698	1.2
135.04604	0.5
136.05251	1.4
137.02425	0.8
137.06125	0.5
146.03665	0.5
147.04515	1.8
149.02415	1.5
150.03226	4.3
151.00368	0.7
158.03694	1.2
159.04494	6.4
160.05266	21.3
161.04500	2.3
161.05989	5.3
162.03256	0.6
163.04005	4.6
164.04758	4.6
173.04524	2.2
173.06061	3.1
175.07616	20.6
176.07979	1.0
177.05521	4.9
178.06328	6.7
191.05592	4.3
192.07916	1.5
192.78871	0.5
193.08710	2.9
231.73560	0.5
245.09198	1.6
305.10599	6.4
306.10941	1.2
307.10477	1.5
314.11331	0.9
329.13889	100.0
330.14227	11.8
359.14948	42.1
360.15274	4.6
403.15549	0.6
407.08725	0.5
521.20239	18.3
522.20612	3.2
574.26135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36231	1.1
59.01363	3.9
60.15112	1.0
60.74257	1.3
69.28633	10.3
71.01367	2.1
83.05016	1.9
89.02458	1.4
89.60558	1.0
90.75625	1.0
92.90654	1.0
98.06792	1.1
101.02407	1.5
101.90606	1.1
126.39808	1.1
161.98502	1.2
163.11238	1.7
173.04568	1.4
191.05580	4.0
199.09843	1.3
202.48962	1.1
209.11807	100.0
210.12167	5.3
227.12840	22.3
228.13173	2.2
235.08202	3.0
253.09212	5.1
445.20724	9.5
637.31604	2.4
654.12115	1.3
741.34650	27.9
742.34644	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	741.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	95.4
61.98818	17.0
67.01909	3.9
68.32384	3.7
69.88775	13.6
69.89193	5.4
71.01376	57.3
73.02933	17.9
80.96531	5.1
81.03455	5.1
83.01370	10.4
83.05038	4.1
85.02938	29.6
86.00097	4.2
87.00867	8.6
89.02430	21.7
89.09762	3.6
93.03488	10.0
95.01405	5.0
96.96008	44.4
97.02917	4.3
98.19937	4.9
98.95575	4.9
99.00854	9.0
101.02431	35.7
109.02966	4.2
109.06557	4.5
110.80390	3.4
111.00895	3.6
111.80292	4.2
113.02451	19.9
119.03483	6.6
125.02415	5.3
125.09697	4.2
127.03958	4.5
131.03511	5.4
147.22079	3.9
151.00348	4.6
161.04506	4.1
163.11296	4.2
171.10190	12.2
173.04518	16.0
179.05684	5.5
191.05606	46.8
197.11859	6.0
199.09631	6.7
207.10182	12.6
209.11761	32.9
215.07031	4.8
225.11249	15.0
227.12900	10.6
253.09216	8.7
266.05695	4.9
289.18088	33.7
290.18317	5.0
307.19125	36.5
308.19327	4.2
339.06146	4.6
397.13287	26.1
411.85309	5.2
415.14566	19.3
461.19952	4.7
551.28534	10.2
608.16162	4.4
609.23206	5.4
611.30963	14.0
654.32556	4.6
687.31744	8.3
697.37823	4.4
705.33539	5.0
741.28290	19.6
741.40857	100.0
742.39032	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	741.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91340	3.2
56.46027	3.3
59.01373	40.6
61.98816	11.8
69.50539	2.9
69.52834	10.8
69.53258	13.0
71.01366	18.4
79.43720	3.2
83.01396	4.4
85.02944	6.5
85.29107	2.9
87.00849	6.4
89.02449	11.0
93.03468	4.7
96.96003	24.1
101.02455	12.2
109.02954	3.2
113.02441	6.1
119.03493	9.0
125.02456	5.4
125.09714	4.2
132.66428	3.1
142.09828	3.7
162.06830	6.7
163.11284	5.6
173.04581	6.9
185.11795	4.9
191.05577	25.9
207.10223	12.1
209.11790	29.7
211.13332	5.4
222.40263	3.3
225.11273	10.2
227.12747	4.4
235.08217	8.3
245.19101	8.0
289.18060	54.3
290.18478	5.2
307.19144	74.7
308.19574	6.0
397.13501	52.6
415.14584	40.1
607.26312	4.6
635.30341	5.3
637.31610	4.8
643.24390	5.0
653.31366	6.3
671.32593	9.9
705.33276	11.9
741.31091	100.0
742.31482	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1877
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
54.28814	0.6
61.98808	0.6
65.00331	1.6
71.07931	1.4
83.01337	0.6
92.30504	0.5
95.94109	0.5
96.95998	3.0
107.01377	1.9
108.02177	1.4
118.03594	0.6
121.02972	0.8
133.10925	0.6
133.32878	0.6
135.00894	0.7
148.01642	1.4
151.00349	6.6
154.35007	0.6
163.00307	0.7
178.99817	4.7
199.04022	1.3
211.04274	0.6
215.03575	0.8
216.04285	0.9
226.02740	2.0
227.03450	2.5
231.79623	0.5
236.33220	0.6
243.02933	11.7
244.03226	0.9
254.02182	2.1
255.02951	26.9
256.03342	1.8
267.09009	3.9
271.02448	60.9
272.02972	6.0
273.03772	1.0
299.01810	1.9
300.02716	100.0
301.03229	16.0
323.30807	0.6
475.08209	0.7
556.11401	0.7
741.18744	70.7
742.19006	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	740.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98826	100.0
62.98545	0.1
71.01399	0.1
73.02939	0.1
81.03424	0.1
81.22426	0.1
83.05016	0.2
84.48499	0.1
93.03474	0.1
96.32600	0.1
96.50301	0.1
173.04623	0.2
191.05560	0.4
211.51575	0.1
226.16345	0.1
303.68039	0.1
341.00497	0.1
401.12439	0.1
469.23474	0.1
678.50323	0.1
679.50586	0.3
680.50543	1.2
740.49188	2.2
741.49402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13694	0.1
57.95892	0.1
59.01373	1.4
61.98825	100.0
62.98509	0.1
62.99270	0.2
71.01385	0.7
71.34189	0.2
73.02921	0.2
78.95900	0.2
79.95721	0.2
80.96523	0.4
84.14926	0.1
84.62542	0.1
89.02448	0.5
101.02447	0.3
113.02460	0.2
118.41638	0.2
125.02451	0.2
128.14507	0.2
140.71976	0.1
147.38368	0.1
196.22531	0.1
209.11801	0.7
227.12938	0.1
253.09261	0.2
271.08713	0.2
279.23303	0.6
280.23627	0.7
281.24152	0.4
293.21216	0.2
295.22778	0.4
295.45642	0.1
351.70193	0.2
358.56061	0.1
397.13528	0.2
398.13889	0.6
399.14038	0.7
400.14267	0.3
417.15161	0.3
418.15616	0.2
577.26672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
57.74556	0.4
59.01371	9.3
61.98825	14.0
71.01382	3.6
71.63438	0.6
73.02950	1.2
75.00880	0.5
78.95909	0.7
80.02690	1.0
81.03459	1.3
83.01395	0.5
83.05015	4.3
84.02182	0.5
85.02958	1.2
87.00883	1.1
89.02438	2.2
95.05028	0.6
101.02457	2.7
113.02450	1.5
119.03545	0.6
121.10435	0.3
125.09823	0.5
141.01662	1.3
151.00294	0.8
152.99573	0.4
161.04552	1.2
163.11253	3.6
165.12863	2.1
171.10266	1.8
178.99803	0.5
179.05626	0.8
179.14430	0.5
181.12402	0.4
191.10741	0.9
195.13876	5.1
196.14384	0.6
205.12372	0.6
209.11813	100.0
210.12122	6.8
211.13353	0.7
215.03470	0.6
218.50624	0.4
223.13356	4.0
227.03473	0.6
227.12872	12.3
227.17764	0.4
228.13431	0.9
235.08250	2.6
235.16927	0.5
253.09262	13.5
254.09727	0.8
255.02907	0.7
256.13159	0.8
271.02460	3.0
275.20114	7.5
276.20502	0.6
277.21576	0.5
284.03235	1.0
293.21204	63.6
294.21503	7.1
299.01935	6.7
300.02679	2.8
301.03271	0.8
445.20621	1.4
446.08517	1.4
447.09018	0.9
474.72656	0.4
529.29993	0.5
593.23456	0.7
738.81531	0.9
739.30188	2.5
739.41864	0.7
740.30493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38187	0.9
59.01092	0.9
59.01371	10.6
60.04218	0.8
61.98811	3.2
61.99113	0.9
69.08967	0.7
69.86497	0.8
70.27708	0.9
71.01369	6.9
71.04993	2.1
73.02934	1.9
78.95872	2.4
81.60320	0.8
85.02940	2.1
87.00873	1.2
89.02431	3.6
94.60696	0.8
95.96235	0.7
97.02918	3.8
97.06576	1.6
98.19851	2.1
99.00857	11.1
99.04498	1.0
101.02424	3.8
109.06570	1.2
110.03728	1.0
111.01472	0.9
113.02423	2.3
114.24202	0.8
123.08185	2.0
125.09691	4.8
127.11282	1.0
148.70784	0.9
151.87445	0.9
152.99564	1.1
161.04515	1.0
163.11267	8.1
171.10248	7.8
177.83508	0.9
181.12315	13.8
182.12573	1.0
183.00633	0.8
195.11234	0.8
199.13365	23.3
201.11343	1.4
207.10234	30.3
208.10530	1.3
209.11847	0.9
211.13237	1.2
218.11304	0.8
225.11278	59.8
226.11646	4.0
235.08244	1.3
237.60233	0.8
243.12337	15.9
244.12694	1.1
253.09196	3.5
277.21674	36.9
278.21988	3.8
279.23184	3.6
280.23590	2.0
461.20178	7.9
479.21014	2.6
603.57324	1.0
721.41443	4.7
722.41272	1.1
739.42542	100.0
740.42871	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43432	0.7
55.01875	1.3
57.03433	2.5
58.00582	0.9
59.01376	38.3
61.12926	0.8
61.98819	2.2
64.57066	0.8
65.20562	0.7
67.01870	0.9
68.99811	0.9
69.03455	3.1
71.01379	22.9
71.04996	0.8
71.63303	1.2
72.99289	2.0
73.02938	5.9
75.31502	0.7
75.35278	0.8
78.20425	0.8
78.95873	1.1
81.03419	1.6
83.01385	3.5
83.05006	1.8
84.02162	3.3
84.06445	0.8
85.02950	9.8
87.00869	4.0
89.02442	10.4
91.01865	1.8
93.03442	2.5
95.01369	1.3
95.04994	1.0
96.96001	8.8
97.02950	2.6
97.06585	8.2
99.00890	4.4
99.04478	1.1
100.33216	0.9
101.02435	15.3
102.02783	1.2
104.39650	0.8
108.02159	1.1
109.98532	0.9
111.00850	3.4
111.04517	1.3
111.08171	0.8
113.02440	8.8
119.03499	2.6
123.00954	0.8
123.04504	5.7
123.08133	2.5
125.02409	3.4
125.09689	2.4
141.09189	1.5
141.12820	1.6
143.03488	1.4
151.00467	0.8
151.11241	0.9
155.03394	1.0
159.02948	1.2
161.04504	2.3
167.03479	17.3
167.61836	0.8
169.12357	1.3
171.10263	5.3
171.13783	1.7
173.04504	5.5
179.05560	2.2
183.13933	3.7
185.11739	1.0
187.07677	0.9
187.13402	2.1
191.05602	7.4
193.12294	10.2
209.11729	1.5
211.13330	2.2
225.14923	13.7
235.08221	1.3
241.07898	0.9
243.15974	5.5
253.14438	1.5
299.01904	1.5
305.08810	0.9
322.73438	0.9
341.23282	100.0
342.23557	11.3
359.27997	10.0
362.19406	1.4
375.20105	2.2
397.13510	10.8
398.13541	1.3
415.14532	24.1
416.14832	2.3
503.32129	4.0
521.33319	8.2
528.51135	0.9
563.34198	2.1
635.36353	31.6
636.36865	6.7
653.37311	14.2
654.37897	2.8
679.48102	1.1
695.38544	29.2
696.39063	5.7
739.37640	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21729	0.1
59.01369	1.1
61.98825	100.0
62.98516	0.2
66.06726	0.1
70.52303	0.2
70.52702	0.2
71.01392	0.7
73.02929	0.2
78.95930	0.1
81.03465	0.1
83.05027	0.2
85.02959	0.2
87.00895	0.3
89.02428	0.6
97.02957	0.1
101.02438	0.5
113.02415	0.2
125.02480	0.1
127.19264	0.1
128.85947	0.1
143.27190	0.1
161.04564	0.2
163.11255	0.3
165.12802	0.1
195.13985	0.2
207.10124	0.2
209.11810	6.7
223.13422	0.1
225.11403	0.1
227.12906	0.7
235.08299	0.3
253.09294	0.8
271.02554	0.2
275.20175	0.4
277.21661	0.6
278.22009	0.8
279.22513	0.3
293.21191	3.3
299.02023	0.3
300.02774	0.2
397.13522	0.4
398.13812	0.5
399.14001	0.8
400.14520	0.4
416.15158	0.3
417.15283	0.3
446.08902	0.1
466.11588	0.1
738.30933	0.1
739.29681	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
60.01704	0.1
60.30489	0.1
61.98822	100.0
62.87145	0.1
62.98531	0.1
62.99253	0.1
68.59891	0.1
71.01379	0.3
72.01773	0.1
73.02928	0.1
78.66028	0.1
87.00897	0.1
88.29668	0.1
89.02451	0.2
101.02450	0.2
113.02424	0.1
179.05675	0.1
186.41171	0.1
199.43903	0.1
235.08232	0.1
277.21738	0.3
278.22043	0.4
279.22473	0.2
314.44675	0.1
397.13672	0.2
398.14038	0.3
399.13971	0.6
400.14307	0.2
409.66132	0.1
416.14963	0.1
417.15070	0.2
418.15262	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.2
59.01374	14.3
62.68099	0.2
64.55876	0.2
66.60203	0.2
69.55239	0.2
81.03454	4.3
83.05019	13.5
84.05341	0.4
98.19827	0.4
107.06149	0.3
108.04539	0.4
125.07197	0.7
126.05591	0.3
143.08275	0.4
151.00342	0.4
169.43138	0.2
178.99799	0.5
207.15009	1.1
224.17648	2.1
225.16054	11.8
226.16370	0.6
229.55867	0.3
242.18736	0.5
251.38585	0.2
281.22180	0.2
309.21881	0.4
324.26477	0.4
333.22760	0.4
341.29062	0.6
350.24893	0.2
367.27060	1.3
407.33755	0.3
424.47464	0.2
433.32022	1.0
450.34338	0.8
451.32864	7.1
452.33130	1.2
468.35110	0.2
550.43213	0.7
559.40070	0.4
565.44220	0.4
593.43738	0.4
659.48187	1.8
660.48773	0.4
677.49615	100.0
678.49939	25.1
737.22998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49597	5.4
61.98820	24.4
70.51430	6.3
70.51778	18.4
72.10329	4.9
78.95893	17.4
85.09105	4.8
93.92355	5.3
97.39567	5.3
98.68520	5.1
152.99579	5.8
186.25763	5.7
209.11838	69.6
227.12790	21.7
235.08182	8.2
255.23288	100.0
256.23550	8.9
279.23511	13.5
309.27347	5.0
465.04050	6.7
491.32172	10.8
585.34387	8.1
646.21899	7.3
737.42169	38.2
738.42603	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17071	0.4
55.01874	0.5
59.01376	8.0
61.98825	2.4
65.84770	0.5
69.03455	3.3
71.01381	4.7
71.05003	1.8
71.62466	0.7
73.02941	1.5
78.95899	0.6
85.02941	1.4
87.00836	0.6
89.02430	2.5
95.01370	0.9
101.02434	3.3
113.02435	1.6
119.03493	0.5
123.08158	1.2
125.09708	2.3
137.09656	0.6
151.11266	2.0
153.12830	1.7
153.94899	0.6
161.04504	1.0
161.09660	2.9
170.77336	0.6
179.10722	6.3
197.11809	78.2
198.12114	4.6
205.08653	0.7
223.09721	1.8
241.10881	3.3
253.09267	3.0
277.21677	24.7
278.21960	2.4
335.55530	0.5
391.09274	0.5
435.19635	0.5
459.18683	1.0
477.19992	2.9
719.39673	0.7
737.41071	100.0
738.41333	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01090	0.4
59.01372	5.1
61.98827	6.2
62.76568	0.2
70.05926	0.5
70.06314	0.7
71.01375	3.1
72.99309	0.4
73.02939	1.1
79.95749	0.3
80.02675	0.5
80.96503	0.7
81.03453	0.5
83.01385	0.5
83.05025	3.8
84.02180	0.5
85.02930	1.0
87.00873	0.8
89.02438	2.0
93.03455	1.3
95.05022	0.5
96.96004	1.8
98.20009	0.4
99.00886	0.3
101.02461	1.7
102.25941	0.2
109.03032	0.2
109.06549	0.4
113.02438	1.3
119.03500	0.5
124.01571	0.3
125.02448	0.5
125.06085	0.5
129.01845	0.3
133.05070	0.3
135.04459	0.4
135.08139	0.4
137.02440	0.2
147.11760	0.3
161.04539	0.9
162.49336	0.3
163.11285	3.2
165.12813	2.0
169.12347	0.5
171.10263	1.0
171.11644	0.3
173.04588	1.5
179.05666	0.3
191.05592	3.8
191.10777	0.5
192.05853	0.3
209.11810	100.0
210.12149	6.5
227.12865	14.7
228.13188	1.2
235.08237	1.6
247.13422	0.4
247.30226	0.3
253.09268	5.5
254.09634	0.4
287.14899	0.7
395.05612	0.3
445.20776	3.1
446.21161	0.4
463.22427	0.3
547.31543	0.4
579.44598	0.3
633.38910	0.6
637.32263	0.8
651.39783	0.5
655.33411	0.3
705.32922	0.3
737.35254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03460	0.2
59.01379	3.7
71.01375	2.0
71.63493	0.2
72.99332	0.3
73.02946	0.8
81.03432	0.2
81.41116	0.2
81.57729	0.2
83.01368	0.3
85.02946	1.2
87.00883	0.3
88.81713	0.2
89.02454	0.5
89.03960	1.7
93.03449	0.8
96.95994	1.5
99.00883	0.6
101.02426	0.9
102.54396	0.2
106.04228	0.4
107.01347	0.2
109.16206	0.2
111.00874	0.5
111.04466	0.2
113.02454	1.2
117.03461	5.2
118.03781	0.3
121.02959	0.2
123.08203	0.4
125.02418	0.2
130.39255	0.2
132.02167	1.9
133.02930	0.5
134.03731	76.3
135.04048	3.0
137.02431	0.6
139.04039	0.2
139.91692	0.2
149.04851	0.3
149.06076	6.6
150.06357	0.3
151.00345	0.5
154.10353	0.2
158.77403	0.2
160.01646	7.8
161.02065	0.4
163.11278	0.7
169.12308	0.6
173.04561	1.1
175.03992	8.9
176.04358	0.4
178.02702	1.5
178.99808	0.4
187.04054	0.2
189.12929	0.9
191.05626	2.3
193.05037	100.0
194.05368	4.8
197.11790	0.9
199.03857	0.3
201.11308	1.1
207.13864	0.7
209.11882	1.3
214.02737	0.5
227.12863	0.3
241.01520	0.4
242.02191	0.7
243.02927	0.6
245.00870	0.5
255.02957	0.6
270.01645	0.8
271.02484	1.4
298.01047	0.3
299.01950	4.6
300.02734	1.5
301.03452	0.6
340.14063	0.2
373.84293	0.2
397.09265	0.5
430.91373	0.2
463.08981	0.4
472.17673	0.4
484.90674	0.2
501.23126	1.4
502.23669	0.2
543.24493	1.0
561.25232	0.4
607.13049	0.3
608.13690	3.6
609.14087	0.8
687.32135	0.2
687.76691	0.2
695.28851	0.3
705.20166	1.0
705.32983	0.5
706.19550	0.2
737.29694	5.6
738.30750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.5
57.03449	2.3
58.00590	4.3
59.01373	100.0
59.38369	2.4
60.45348	2.1
61.98823	44.8
67.01839	1.9
71.01374	61.9
71.63530	2.1
72.99313	6.8
73.02942	14.0
76.93169	2.3
80.96502	3.3
83.01370	5.7
85.02936	21.7
87.00864	4.5
89.02440	41.2
93.03455	8.7
95.01364	5.5
96.95991	27.1
99.00853	3.0
101.02435	35.5
101.06050	5.5
113.02435	36.8
119.03519	13.6
119.05014	7.1
122.06091	2.4
125.02425	4.3
139.04045	2.3
143.03479	6.4
145.02959	4.9
154.60391	2.0
161.04517	9.0
163.03995	14.3
164.57550	1.9
173.04538	7.2
179.05676	10.2
191.05600	18.8
193.05013	2.6
197.11734	2.2
198.85822	2.6
209.11839	3.9
215.43182	2.0
225.11237	2.5
273.16980	2.8
290.95621	2.1
325.77841	2.5
381.23108	2.4
449.04208	2.3
469.31665	3.6
566.39368	2.2
631.36841	61.5
632.37030	7.2
649.37854	53.4
650.39038	9.9
691.39124	20.5
692.39764	6.8
735.28503	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	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91742	0.1
55.01855	0.1
59.01374	0.8
61.98826	100.0
62.97639	0.1
62.98529	0.2
69.83756	0.5
71.01382	0.4
80.96533	0.1
85.02950	0.3
87.00867	0.2
89.02452	0.2
93.03460	0.3
96.96015	0.4
99.00887	0.4
101.02446	0.2
105.85284	0.1
111.00840	0.1
113.02464	0.1
131.95126	0.1
137.02496	0.1
147.04501	0.1
171.10242	0.1
173.04590	0.3
179.05585	0.1
191.05629	0.8
197.11818	0.3
207.10338	0.2
209.11821	0.9
225.11304	0.3
227.12918	0.2
238.83899	0.1
335.24152	0.1
436.48380	0.1
492.30170	0.1
583.35510	0.1
687.32257	0.3
705.33807	0.3
710.25092	0.1
737.36823	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	734.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03491	0.1
59.01371	0.6
61.98824	100.0
62.98524	0.2
67.29597	0.1
71.01373	0.3
71.63126	0.2
85.02954	0.1
93.03500	0.2
94.63558	0.1
96.96021	0.4
101.02486	0.2
107.01430	0.1
110.75403	0.1
137.02460	0.1
173.04562	0.4
185.80533	0.1
191.05597	0.5
197.11847	0.2
209.11787	0.7
210.12148	0.1
227.12827	0.1
230.06779	0.1
485.01950	0.1
734.29639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60523	0.2
57.03441	0.4
58.00588	0.2
59.01376	1.6
60.99290	1.2
67.01886	3.7
69.03458	1.2
71.01372	2.3
71.62252	0.3
72.99342	0.2
73.02930	0.3
81.03438	1.0
83.05022	0.8
85.02944	4.1
85.07083	0.2
87.00867	6.0
89.03977	0.3
93.03447	30.4
94.03796	0.7
96.95987	0.7
98.61577	0.2
99.00859	0.7
99.04516	0.8
101.02429	0.2
109.02940	0.6
111.00875	0.3
111.04504	4.3
113.02415	0.6
115.03982	0.3
117.03424	0.9
117.29392	0.2
127.04015	1.2
129.01927	0.5
134.03725	10.9
135.04057	0.5
137.02422	1.1
143.03461	0.4
147.40132	0.2
149.06064	0.8
155.03474	1.5
160.01674	0.4
171.02969	0.2
173.04524	27.3
174.04857	0.9
175.03976	0.8
181.38445	0.2
189.66426	0.2
191.05583	100.0
192.05946	4.3
193.03281	0.4
193.05028	7.4
194.05386	0.6
347.17169	0.3
367.10272	41.4
368.10583	4.4
387.10931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50067	0.8
57.03460	0.7
59.01378	11.7
60.01698	0.7
61.98827	12.3
71.01368	9.0
71.62952	0.9
73.02927	2.1
80.02659	1.4
81.03439	1.2
83.05009	3.9
85.02940	3.7
89.02429	4.3
93.03423	1.8
96.96003	6.3
99.04526	1.2
101.02430	4.4
103.26119	0.7
111.04554	0.8
113.02442	4.2
113.73041	0.8
117.81591	0.8
135.08165	1.0
163.11316	3.8
165.12805	2.4
169.38254	0.7
171.10257	1.9
173.04498	4.0
179.05641	1.0
191.05571	3.4
196.19867	0.7
209.11803	100.0
210.12129	6.6
225.40903	0.8
227.12849	13.3
228.13165	1.0
235.08197	2.9
247.13458	0.8
253.09245	5.5
445.20654	1.8
629.35181	6.1
631.36652	2.0
647.36395	4.2
689.37140	1.9
733.35632	0.9
734.27209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
60.17006	0.1
61.98824	100.0
62.36662	0.1
62.98528	0.2
71.01373	0.2
71.63612	0.1
78.95908	0.2
94.71596	0.1
96.96029	0.4
97.03004	0.1
101.02517	0.1
109.06606	0.1
127.04017	0.4
137.49910	0.1
171.10257	0.1
173.04530	0.2
185.69479	0.1
191.05565	0.3
197.11819	0.4
207.10315	0.2
209.11940	0.3
225.11342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.1
58.00571	2.6
59.01374	100.0
61.98825	12.8
69.03445	2.7
71.01374	39.2
71.63239	2.6
72.99297	2.5
73.02943	18.6
82.61272	1.7
83.01370	7.4
83.04984	1.9
85.02937	16.5
85.98930	2.0
87.00877	5.4
89.02426	21.1
93.03442	5.1
95.01344	3.8
96.96000	28.9
97.02897	2.2
99.00875	2.0
101.02437	32.0
113.02430	22.3
118.17735	1.8
119.03458	8.3
119.65400	1.7
125.02435	4.5
131.03481	4.2
143.03517	5.0
143.17647	1.9
148.83118	1.9
149.04515	2.6
152.21809	1.7
161.04556	15.4
173.04480	9.6
179.05612	17.4
191.05557	13.8
192.05949	1.7
203.05577	7.9
209.11716	6.8
221.06630	11.8
227.12982	2.2
235.96138	1.9
263.07654	11.8
263.95923	1.9
305.08737	3.7
441.24893	2.3
543.28180	15.5
561.28949	15.5
585.29486	2.7
603.30005	24.9
604.30219	5.9
629.34961	4.3
647.36389	5.9
648.59741	2.1
689.36017	2.0
727.02350	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	731.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
57.03439	2.5
59.01372	100.0
60.01694	1.2
61.98820	2.1
63.02376	1.4
63.70637	1.1
63.89557	1.0
64.98701	1.0
65.00310	1.4
69.03459	2.2
70.20085	1.1
71.01376	33.8
72.99319	2.6
73.02943	14.7
75.00864	1.1
81.03450	1.2
83.01376	11.2
85.02934	15.3
85.03386	1.6
87.00893	5.0
89.02425	16.3
93.03449	5.3
95.01381	4.4
96.95995	10.1
97.02954	4.9
98.20618	2.1
99.00859	6.3
101.01768	2.0
101.02429	26.7
109.02902	1.2
111.00854	2.6
113.02436	23.9
118.97014	1.4
119.03498	5.8
119.13474	1.1
124.01666	1.9
125.02427	9.1
127.03976	1.7
131.03427	1.3
137.02405	2.4
143.03526	7.3
149.04497	1.6
151.00322	5.4
152.01164	2.9
155.03447	1.8
159.03021	1.6
161.04529	7.3
173.04547	6.5
178.99866	6.1
179.05621	3.3
185.04518	1.5
191.05550	5.8
194.98256	1.2
203.05598	1.3
205.12219	1.2
221.06642	2.6
379.20920	1.2
397.22360	3.6
419.05362	1.4
439.23279	4.4
481.24146	1.5
513.26611	2.1
523.25946	2.3
524.24982	1.1
526.22144	1.2
541.19098	1.6
541.26587	15.1
542.26447	1.8
559.27527	8.9
560.28345	1.1
567.18402	2.6
573.50427	1.1
583.27234	11.7
584.27448	2.5
601.28552	52.2
602.28870	8.6
627.33008	1.9
643.29681	38.4
644.30072	7.4
645.35138	2.9
687.32184	2.2
731.24615	6.0
732.26099	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	730.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
71.58836	0.3
79.95760	0.3
80.96519	0.8
100.44597	0.2
115.82734	0.2
138.00496	0.2
171.10251	0.2
212.35445	0.2
731.36542	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	730.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05529	0.1
59.01389	0.3
59.91875	0.1
61.98827	100.0
62.98519	0.2
80.96513	0.4
81.35088	0.1
82.67414	0.1
86.96377	0.1
94.98106	0.2
98.19862	0.4
120.27834	0.1
171.10190	0.3
172.10559	0.2
173.39401	0.2
209.11874	0.2
225.00705	0.2
242.80768	0.2
255.23524	0.1
266.40125	0.1
273.60260	0.1
277.21841	0.2
488.98196	0.1
634.24457	0.2
695.74457	0.2
731.36932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.6
61.98819	1.2
66.08389	0.5
71.01380	1.2
73.02951	0.5
78.95876	0.6
85.02938	0.6
87.00849	0.4
88.98820	0.4
89.02409	0.5
95.57242	0.4
101.02432	1.1
107.97256	0.4
113.02448	0.4
125.09682	0.4
127.11258	1.8
153.09161	0.6
161.04546	0.5
171.10255	100.0
172.10597	5.1
191.05612	1.1
209.11853	0.4
235.08182	2.1
253.09241	5.0
267.94864	0.5
277.21695	45.7
278.22003	4.3
407.19189	3.8
408.19543	0.5
444.45544	0.4
486.43671	0.5
619.82904	0.4
635.27600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03450	0.9
57.41458	0.4
58.52002	0.3
59.01373	100.0
60.01713	0.9
61.98832	1.0
69.30180	1.5
69.30605	1.5
71.01375	11.6
71.01758	0.6
72.99317	0.4
73.02935	4.0
83.01361	1.5
83.05051	0.4
85.02950	5.3
85.30264	0.4
87.00867	0.8
89.02437	2.6
93.03465	1.1
95.01387	1.0
96.96012	2.3
97.02948	0.6
98.20648	0.7
99.00878	1.6
101.02436	6.7
111.04539	0.4
113.02444	5.0
119.03529	0.6
134.03777	0.4
151.07639	0.9
153.90839	0.4
159.02992	1.0
161.04541	4.7
165.87962	0.3
167.07190	1.0
171.10300	0.6
173.04498	1.7
179.03590	0.3
191.05602	3.4
193.04951	0.5
203.05539	0.6
209.11824	0.4
268.60886	0.4
315.18069	9.1
315.21466	0.6
316.18634	1.0
327.21683	2.0
357.19110	4.4
685.37659	0.7
729.38733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03436	1.3
58.00590	1.7
59.01376	25.1
61.98827	4.0
68.67326	0.7
68.99839	0.8
69.03477	1.1
71.01379	18.7
71.05023	1.4
71.63104	0.9
71.63492	1.0
72.99303	2.2
73.02938	6.0
75.00874	1.7
78.95937	0.9
81.03406	1.2
83.01398	3.3
83.05019	1.8
84.95112	1.5
85.02938	12.0
86.00096	1.8
86.60287	0.8
87.00866	4.7
87.04543	0.9
88.98809	1.8
89.02439	5.5
89.33529	1.0
93.03468	3.7
96.96004	6.6
99.00916	1.3
99.04546	1.2
101.02439	7.4
109.02966	1.0
112.53491	0.8
113.02438	5.5
115.03977	1.2
119.03473	1.9
126.03207	1.2
127.03981	1.2
131.03485	1.4
137.02441	2.3
143.03491	1.8
154.26608	0.9
161.04562	2.3
173.04547	3.0
179.05544	1.2
191.05582	8.2
191.22620	0.8
192.05890	0.9
201.11305	11.6
209.11804	43.0
210.12151	3.1
225.51839	0.8
227.12863	9.9
227.20174	1.1
235.08267	1.9
253.09268	3.4
255.19647	3.1
273.20676	7.4
273.22797	0.7
290.00089	0.9
347.05365	1.2
400.25885	0.9
401.25339	8.7
402.25998	1.3
419.26425	17.5
420.26865	1.7
437.20432	2.0
445.20825	5.9
446.21228	1.0
576.12286	0.9
581.31567	6.1
582.32336	1.1
623.38080	1.8
629.31836	1.5
637.31909	1.1
641.38818	0.9
647.33582	1.4
683.37439	2.0
709.36731	1.5
727.37543	100.0
728.38000	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32770	0.5
55.01855	0.9
57.03435	1.7
58.00587	1.0
58.71660	0.6
59.01375	25.0
59.40826	0.5
60.71469	0.5
61.98812	2.2
69.03430	1.7
71.01378	25.8
71.04998	0.9
72.99307	2.7
73.02943	7.8
75.00856	1.9
79.95731	0.7
81.03453	1.3
83.01385	4.3
83.05006	0.7
85.02424	1.1
85.02939	15.1
85.06600	0.8
86.00101	2.9
87.00880	4.6
87.04498	1.8
89.02438	7.5
93.03432	2.4
95.01390	1.3
96.96006	6.4
97.02927	1.4
98.19881	1.7
99.00854	2.2
99.04506	1.5
101.02431	13.8
102.02747	0.7
103.04010	0.8
109.02966	1.1
111.04433	0.5
113.02449	7.6
115.04005	0.8
119.03473	1.9
121.02982	0.6
125.02446	1.3
126.03185	0.9
127.03978	0.8
131.03476	1.8
134.03728	0.7
135.04517	0.8
143.03453	2.0
145.05035	1.3
151.00392	1.1
159.02959	0.6
161.02414	0.6
161.04553	1.4
171.10361	0.8
173.04504	3.3
178.99922	0.6
179.03442	0.7
191.03888	0.9
191.05589	8.8
192.05969	0.8
201.11337	1.2
209.11830	5.5
210.12196	0.9
227.12831	2.0
227.20050	0.6
255.19540	2.8
273.20694	3.7
279.31870	0.7
329.22812	0.6
401.25409	13.2
402.25769	1.6
419.26480	9.8
420.26544	1.4
428.70425	0.7
457.15671	0.6
563.30524	6.5
564.31268	1.0
581.31799	3.9
637.31451	0.7
683.37659	2.3
709.36829	3.2
710.36993	0.8
727.37500	100.0
728.37860	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	727.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03431	2.2
58.00606	1.5
59.01377	39.4
59.92223	0.9
61.98822	4.8
67.01881	1.2
69.03446	1.7
69.18759	1.2
71.01379	31.3
72.99303	2.4
73.02946	9.9
75.00879	1.6
76.04387	1.2
78.95923	1.6
81.03455	1.1
83.01376	5.9
83.05007	1.2
85.02948	17.3
86.00077	1.7
87.00854	5.7
87.04492	1.3
89.02443	8.2
93.03475	3.5
95.01375	2.2
96.96001	8.5
96.96947	1.1
97.02941	1.8
99.00874	3.0
101.02443	18.7
109.02924	1.4
113.02439	12.0
115.04041	1.2
119.03526	2.0
125.02443	1.6
127.04000	1.5
131.03510	2.5
134.03754	1.3
135.72308	1.0
137.02463	0.9
143.03516	4.1
145.05077	2.3
151.07657	1.6
159.02956	1.4
161.04601	2.0
171.10284	1.9
173.04570	7.7
191.05579	14.6
193.04985	1.4
201.11313	2.5
209.11877	6.7
225.11287	1.4
227.12877	4.1
316.08890	1.0
359.24411	3.2
401.25363	1.7
552.19617	1.3
581.31525	2.0
623.39087	1.5
635.30640	1.3
636.70142	1.1
637.32477	2.3
641.40295	1.6
667.36200	2.0
671.32794	1.7
683.41168	3.1
709.35950	2.6
727.37646	100.0
728.37842	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00924	0.7
55.01862	1.6
57.03432	2.3
59.01376	34.8
61.98816	3.2
66.64950	0.7
67.01894	1.1
69.03437	1.9
71.01378	29.7
71.22879	1.2
71.23202	0.9
72.01708	1.1
72.99288	2.0
73.02932	9.6
75.00848	1.1
78.95865	0.9
81.03472	1.0
83.01382	4.3
84.37582	0.7
85.02943	17.3
86.00073	2.1
87.00869	5.1
88.98795	1.1
89.02441	8.9
93.03432	2.4
95.01389	1.8
96.96010	8.1
97.02943	1.9
98.61071	0.8
99.00880	2.6
101.02436	15.7
108.76972	0.7
109.02916	1.2
113.02452	11.6
115.04018	1.4
119.03488	2.0
125.02427	1.8
131.03496	3.1
135.04494	1.2
137.02425	1.6
138.83527	0.9
143.03503	3.0
145.05060	2.0
151.00385	1.6
151.07602	1.4
157.31711	0.9
159.03105	0.9
161.04518	2.4
171.10150	0.9
173.04552	4.5
185.60547	0.9
185.92651	0.9
191.05597	9.5
197.11676	0.7
201.11308	1.5
205.07088	0.8
209.11829	5.9
225.11292	1.1
227.12787	2.1
228.58624	0.8
241.47896	0.7
253.09314	1.2
359.24329	3.4
401.25116	1.1
419.26273	1.0
480.56076	0.7
521.29449	2.4
623.39075	1.9
627.30182	0.8
627.64624	0.8
641.40399	1.2
667.35962	1.3
683.40350	1.5
709.36102	2.3
727.37585	100.0
728.37921	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03443	3.3
58.00574	1.4
59.01380	27.8
61.98814	4.4
62.85054	1.5
64.11635	1.3
69.33363	11.9
71.01373	22.8
71.05000	2.4
72.99305	3.5
73.02948	7.5
73.28277	1.4
75.00851	3.1
83.01390	4.1
83.05021	2.9
84.47688	1.5
84.95119	2.0
85.02945	12.1
87.00861	4.7
89.02430	6.2
93.03441	5.4
96.95995	16.6
101.02449	10.9
109.02917	1.4
111.04474	1.6
113.02463	7.4
119.03521	2.5
127.44742	1.4
137.02423	2.2
143.03461	1.7
150.06874	14.1
161.04536	1.8
162.43018	1.6
163.07591	3.8
163.11208	1.6
164.08408	3.5
169.80746	1.5
171.10190	1.3
173.04469	8.0
178.99939	1.5
179.10669	7.2
187.14522	1.4
191.05609	19.3
200.64645	1.3
201.11293	27.1
209.11815	94.3
210.12155	6.0
227.12831	21.6
228.13084	1.7
235.08191	3.8
253.09355	10.4
255.19655	3.2
273.20770	4.6
311.72809	1.6
317.21072	3.7
333.79004	1.5
343.21118	2.3
401.25354	6.2
408.76721	1.5
419.26523	13.2
420.26788	2.3
437.19879	3.0
438.21503	1.6
445.20749	16.5
446.21069	2.5
477.31775	2.4
523.32587	7.2
524.33179	1.9
581.31842	3.7
629.31433	4.0
637.31854	2.3
647.33240	3.2
667.38483	2.6
683.37640	3.4
727.38361	100.0
728.38770	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	727.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39243	7.0
59.01369	71.4
59.17530	6.2
61.98822	62.5
71.01373	25.8
71.63492	10.5
73.54189	7.4
78.66794	6.1
78.95898	19.5
85.02923	18.1
87.00859	10.9
89.02425	15.3
93.03427	22.3
96.95990	30.1
101.02428	23.8
102.93423	6.7
119.03535	8.7
127.22141	7.5
152.99542	10.9
161.04474	10.1
171.10201	8.8
173.04520	22.7
175.30325	6.5
191.05632	45.5
201.11252	10.2
207.10191	10.2
209.11771	26.9
211.13449	10.4
225.11340	15.3
227.12840	8.1
235.08221	15.4
235.16917	12.0
253.09109	8.2
267.06625	7.0
275.20126	21.2
292.56409	6.9
293.21158	83.3
294.21692	8.6
295.28973	7.8
397.13544	91.7
415.14505	49.9
461.19955	8.8
673.34723	8.3
691.35779	16.3
727.32800	100.0
728.33484	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	727.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.80066	1.4
56.21442	1.6
57.03439	5.6
59.01374	35.7
67.01888	4.1
68.99836	2.1
69.03454	10.2
70.58761	1.3
70.73267	4.1
71.01375	22.9
71.41846	1.4
72.99314	2.6
73.02945	10.6
81.03458	5.0
83.01385	5.4
83.05048	3.3
83.91230	1.4
84.11777	1.4
85.02943	59.9
86.03308	1.6
87.00868	100.0
88.01203	1.9
93.03466	5.2
94.24294	1.5
95.01376	24.5
96.96014	2.3
97.02940	29.3
99.00866	3.0
99.04506	4.9
101.02430	3.5
103.03995	8.7
109.02930	9.6
111.00854	8.8
111.04514	4.2
113.02439	20.3
115.00363	9.6
115.04015	1.7
125.02423	3.6
127.04015	19.8
130.76793	1.4
136.20419	1.6
137.02429	3.9
139.00369	15.3
145.05013	5.7
155.03444	3.6
157.01407	9.5
158.38702	1.4
169.05058	2.9
171.02936	2.1
173.04546	5.5
175.02460	53.3
176.02786	1.6
191.05579	2.6
199.02463	39.8
200.02841	1.8
217.03510	21.6
241.03610	1.9
243.40570	1.4
255.45284	1.4
256.97394	1.6
285.06055	2.2
301.05804	2.2
303.07172	21.9
321.08188	5.9
338.00909	1.5
345.08130	10.9
374.82208	1.6
387.09378	20.6
405.10349	8.4
521.11249	2.0
522.12122	1.7
563.12427	1.9
623.14801	7.6
685.17957	1.6
709.18542	18.4
710.18610	4.8
727.19281	27.6
728.19415	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	725.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58514	0.5
52.65425	0.5
57.03457	0.8
59.01377	8.9
61.98820	3.1
63.24696	0.6
65.14297	0.6
67.01872	1.0
70.90301	0.6
71.01381	18.2
71.13984	0.5
73.02932	1.8
75.00863	0.8
80.02700	0.9
80.48530	0.6
81.03446	2.4
83.01363	1.0
83.05011	6.6
84.02145	0.9
85.02941	2.5
87.00861	2.0
89.02440	3.0
93.03432	3.3
95.05009	1.3
96.95998	5.8
97.02932	3.0
97.06612	0.9
98.20646	1.1
99.00853	1.6
101.02448	5.0
109.02935	1.0
109.06584	15.7
110.03685	0.7
110.06990	0.6
111.04535	0.6
113.02431	2.6
119.03460	0.8
121.06602	0.6
121.23331	0.6
123.04505	0.8
125.02436	0.7
125.09689	1.4
126.56633	0.6
134.03751	1.2
135.04480	1.4
135.08151	2.6
136.05280	1.1
137.02391	0.9
142.02693	1.1
145.04993	0.7
155.03436	0.9
161.04544	2.1
161.09706	0.9
163.11264	11.5
165.12787	1.8
171.10231	4.3
173.04549	4.4
179.03479	0.7
181.12314	3.6
185.11862	2.0
187.07599	1.1
189.09251	1.7
191.05602	11.3
199.09741	2.0
199.13405	0.7
201.11276	1.3
207.10242	48.8
208.10541	3.2
209.11806	100.0
210.12152	7.0
225.11284	29.8
226.11650	2.0
227.04184	0.6
227.12856	17.7
228.13208	1.6
231.10225	1.8
235.08199	4.1
243.12418	1.1
249.11449	1.0
253.09254	12.5
275.09186	1.5
353.08759	0.7
399.21771	2.1
417.22772	2.5
431.13422	1.1
443.19162	2.6
449.14734	1.7
456.88474	0.7
461.20221	10.4
462.20389	1.4
463.21765	1.0
617.69373	0.7
635.30652	2.8
636.30994	0.8
653.31567	4.3
654.32593	0.8
669.30432	0.8
671.32855	6.8
672.32935	4.1
673.33667	0.8
725.33398	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	725.1927
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01372	2.8
63.02392	0.8
65.00319	0.8
68.81599	0.2
69.53307	1.6
69.53722	0.5
83.01385	0.8
83.70013	0.2
85.02942	0.3
90.75401	0.2
93.03447	0.7
96.95979	0.3
98.20592	0.5
107.01391	2.4
132.02180	1.0
135.00882	1.0
136.01646	0.8
138.05536	0.3
143.05034	0.4
144.20937	0.3
145.02986	0.6
151.00365	4.8
151.03979	0.9
152.01167	0.4
152.04399	0.5
157.06628	0.6
159.04521	0.3
163.00319	1.5
164.01120	0.8
167.04906	0.3
169.01422	0.4
178.99840	1.6
183.04517	1.4
185.02415	0.6
185.06052	0.7
187.03946	1.2
189.05539	0.6
190.99811	0.4
191.05585	0.5
195.04515	0.4
197.06085	0.5
199.03952	0.8
211.03973	2.3
212.04669	0.4
213.05505	0.7
227.03470	40.2
228.03828	3.5
229.05009	4.1
230.05244	0.4
239.03453	1.1
239.07431	0.3
240.04193	0.5
241.05048	0.8
255.02951	77.9
256.03488	10.0
257.04544	4.0
283.02414	1.5
284.03217	100.0
285.03909	33.4
286.04333	2.1
309.04007	0.4
327.05011	0.9
339.04810	0.4
357.13409	0.4
358.13596	0.8
359.13815	0.4
393.06256	0.5
403.98807	0.3
575.14362	0.4
593.14844	0.3
725.19250	79.1
726.19556	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	723.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03434	0.2
57.88543	0.2
59.01377	3.2
61.98830	0.8
67.71532	0.1
71.01380	2.2
71.09549	0.2
71.09869	0.3
72.99305	0.2
73.02946	0.5
73.50933	0.2
75.00884	0.2
78.95901	0.2
80.02666	1.1
81.03461	1.0
83.01402	0.3
83.05016	4.5
84.02146	0.5
85.02953	0.6
87.00880	0.3
89.02441	1.7
93.03429	0.2
95.05025	0.7
99.00914	0.2
100.56763	0.2
101.02422	2.0
107.53357	0.1
109.06577	0.4
109.67876	0.1
113.02429	1.4
119.03483	0.3
125.06057	0.4
125.09699	0.4
135.08151	0.6
145.05022	0.2
147.11786	0.2
152.99594	0.2
161.04533	0.6
163.11278	3.8
165.12834	2.2
179.05582	0.4
181.12325	0.5
191.10744	0.7
192.07693	0.2
207.10237	0.2
209.11800	100.0
210.12134	6.7
227.12859	10.8
228.13171	0.6
234.39717	0.2
235.08188	1.1
253.09251	7.3
254.09578	0.4
259.20682	0.2
277.21683	46.2
278.22025	4.6
445.20746	1.1
461.89127	0.2
463.21420	0.2
603.65173	0.2
648.61401	0.2
730.82788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15322	0.2
58.96483	0.2
59.01369	4.1
61.98819	0.7
69.03452	0.2
69.91492	0.2
70.77007	0.3
70.77345	0.5
71.01377	3.0
71.05035	0.3
73.02934	0.5
78.95883	0.2
80.02668	0.8
81.03439	0.9
81.09654	0.2
83.01380	0.4
83.05016	3.8
84.02156	0.6
85.02944	0.5
87.00867	0.4
87.95871	0.2
89.02432	1.7
93.03485	0.2
95.01366	0.2
95.05003	0.8
97.02902	0.3
97.06615	0.2
101.02438	2.2
101.06068	0.3
104.71205	0.2
109.06595	0.4
113.02472	1.4
119.03492	0.4
125.02523	0.2
125.06069	0.6
135.08159	0.6
144.81154	0.2
145.05095	0.2
145.10287	0.3
161.04543	0.7
163.11263	3.9
165.12834	2.3
179.05618	0.4
181.12305	0.8
182.19846	0.2
191.10736	1.2
207.10298	0.4
209.11798	100.0
210.12137	6.4
210.14137	0.4
220.72311	0.2
225.11185	0.2
227.12849	10.7
228.13211	0.7
235.08214	1.9
253.09254	7.6
254.09918	0.3
277.21683	51.6
278.22021	5.2
418.66919	0.2
445.20541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	4.0
70.63339	2.2
78.95897	32.9
80.02671	2.0
81.03452	1.7
83.05020	6.7
84.02181	1.5
96.96948	3.2
139.52385	0.9
152.99573	49.8
157.76538	1.1
163.11293	6.5
165.12810	3.6
171.00621	2.8
181.12363	1.3
209.11810	100.0
210.12163	6.8
223.28973	1.0
227.03296	3.2
227.12831	9.6
235.26395	1.1
245.04427	1.4
249.09602	1.1
253.21677	18.9
254.22234	1.4
285.39984	1.2
300.51474	1.0
363.11963	2.4
437.15848	4.2
455.16693	7.2
487.19467	69.5
488.19736	7.4
691.38464	7.3
692.38959	2.0
723.40863	70.2
724.41345	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	721.416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	0.9
59.01375	13.8
61.98842	1.1
64.25053	0.5
67.16575	0.6
68.55675	0.5
69.03443	1.0
71.01373	5.4
71.19769	0.6
73.02939	1.7
78.95921	0.6
80.02665	1.3
81.03453	2.8
83.01393	1.2
83.05013	2.5
85.02959	1.8
87.00866	1.6
89.02434	4.9
93.03459	0.7
95.01411	0.6
97.02934	6.2
97.06541	0.7
98.20448	0.6
99.00877	2.0
101.02427	5.2
107.05021	1.3
109.06586	32.6
110.03723	1.1
110.06925	1.2
113.02436	2.7
119.03520	1.3
121.06573	2.1
123.04500	0.7
125.02466	3.2
125.09737	0.9
135.08159	3.8
136.05249	1.0
139.57990	0.5
142.02673	2.1
157.30861	0.5
161.04521	1.7
161.09688	2.1
163.11275	17.2
164.11517	1.0
179.05574	1.7
179.10870	0.6
181.12349	3.6
189.09184	3.9
207.10242	100.0
208.10597	5.9
209.11824	1.8
225.11298	35.6
226.11659	2.1
235.08208	2.3
253.09248	11.6
254.09499	0.7
271.22720	0.9
277.21692	72.1
278.19153	1.0
278.21988	7.2
281.13745	0.7
299.14902	1.2
423.32584	1.1
441.33838	1.5
442.34177	0.7
443.19238	4.9
461.20200	12.0
462.20352	0.8
467.31686	0.6
485.32608	0.9
559.36371	0.7
699.20166	0.6
704.40558	0.6
721.41638	34.7
722.42059	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	721.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.4
61.98825	10.5
69.41714	1.2
69.42618	9.2
71.01379	85.7
72.04565	1.2
73.02939	3.4
78.95919	2.3
79.95738	2.2
80.02646	2.3
81.03445	2.9
83.01388	1.3
83.05047	6.7
83.05453	1.2
84.02167	3.0
85.02953	3.4
85.30942	1.2
87.00877	2.0
87.54025	1.1
89.02457	2.8
93.03447	3.7
95.27135	1.3
96.96004	42.8
97.02958	4.4
97.06583	1.6
99.00866	2.7
100.78820	1.3
101.02448	6.5
102.17683	1.1
109.06592	12.6
110.03712	1.4
113.02457	3.4
123.08170	1.3
125.09708	2.7
135.04507	2.0
135.08179	2.6
137.02480	1.6
142.02750	2.0
152.99635	2.0
155.10710	1.4
161.04486	1.6
161.09685	1.8
163.11290	11.9
165.12788	2.1
171.10254	21.1
171.28062	1.4
172.10591	1.3
173.04521	4.9
181.12297	3.7
185.11766	2.4
189.09204	1.6
191.05611	12.3
191.10771	1.9
197.11806	1.3
199.13342	2.7
201.11264	6.0
203.22881	1.1
207.10266	34.0
208.10585	2.1
209.11815	100.0
210.12111	8.0
215.12970	1.2
225.11324	32.5
226.11650	3.2
227.12894	12.2
243.12419	2.6
253.09283	10.6
299.26852	1.2
330.90845	1.4
399.21457	2.3
417.22635	2.7
455.41782	1.3
461.20270	7.3
556.24927	1.6
653.31775	2.5
671.32928	5.2
672.33118	2.0
689.33624	4.9
690.34253	1.8
721.35974	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	721.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03436	1.8
59.01374	8.0
61.98820	3.5
67.01441	0.4
69.03439	0.9
69.82545	1.5
69.82957	1.0
71.01377	6.0
71.05016	2.7
72.99296	0.7
73.02941	1.8
78.95914	0.5
80.02662	0.9
80.96517	1.0
81.03454	1.6
83.01378	0.5
83.05002	4.4
84.02149	0.8
85.02946	2.9
86.82816	0.6
87.00854	1.2
88.58508	0.6
89.02441	3.4
89.27335	0.5
93.03466	2.4
95.01394	0.7
95.05016	1.5
96.96009	2.7
97.02937	3.9
97.06583	3.1
98.19948	0.7
99.00872	18.2
101.02439	5.0
106.04232	0.5
109.06564	2.1
110.03669	0.6
111.00908	0.5
111.04494	1.1
111.08150	0.5
113.02410	3.2
119.03463	0.8
123.08139	1.4
125.09708	6.5
127.11272	0.7
131.03458	0.6
134.03696	1.7
135.08223	0.8
142.02692	1.2
143.03543	0.6
146.28210	0.5
151.00420	0.7
153.12820	0.7
155.14412	0.9
161.04568	1.0
161.09779	0.8
163.11281	13.1
164.11531	1.3
165.12810	1.9
171.10269	6.4
172.10635	0.6
173.04561	3.7
173.05936	0.8
181.10764	1.0
181.12334	16.6
182.12601	1.2
189.09143	0.6
191.05597	6.0
191.10851	0.7
192.05774	0.6
193.05052	1.8
194.05246	0.9
197.11877	2.5
199.13382	10.2
200.13763	0.8
201.11203	0.8
207.10251	24.4
208.10535	1.1
209.11812	44.2
210.12259	3.0
225.11302	39.3
226.11618	2.4
227.12839	4.1
235.08189	0.7
243.12341	20.6
244.12691	1.4
253.09261	2.6
292.58911	0.5
295.68915	0.5
299.14639	0.5
392.58554	0.6
409.56158	0.5
460.95847	0.6
461.20114	2.6
479.21255	5.0
480.21353	0.6
503.99213	0.5
560.24341	0.4
671.32471	1.5
672.32709	0.8
677.33801	1.8
689.33801	100.0
690.34094	24.1
703.33032	0.7
721.37091	5.0
722.35638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15533	1.1
55.01869	1.1
58.00579	2.1
59.01102	2.1
59.01376	33.2
61.98819	7.2
69.03453	1.6
70.13592	3.6
71.00984	1.5
71.01380	27.3
72.99297	2.6
73.02932	5.5
78.95902	6.0
81.03450	1.6
83.01388	2.6
85.02952	5.5
87.00876	6.0
89.02440	26.0
92.77937	1.0
95.01364	2.3
96.96008	2.7
97.02940	5.5
99.00854	2.1
101.02433	20.0
103.96508	1.0
113.02463	10.2
119.03473	6.4
125.02459	9.7
125.88722	1.0
135.03421	1.0
140.13519	1.0
143.03468	4.4
152.99542	2.1
161.04500	4.5
171.10280	2.4
173.04533	2.4
179.05571	4.6
191.05594	2.7
207.10310	1.6
209.11754	4.8
215.12839	3.1
225.11171	1.7
235.08203	9.3
253.09152	2.5
263.20123	62.6
264.20395	6.0
270.72913	1.1
287.07669	3.2
305.08731	3.9
397.13458	100.0
398.13770	8.0
415.08963	1.5
415.14459	28.4
416.14963	2.3
661.33594	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	721.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91101	0.2
59.01374	3.9
61.98838	0.3
69.27279	1.2
71.01377	2.3
72.99291	0.3
73.02931	1.0
79.95701	0.1
81.03433	0.2
83.01399	0.3
83.05031	0.3
85.02941	1.0
87.00851	0.3
89.02438	1.3
89.03957	1.3
93.03474	0.5
95.01391	0.3
96.95996	1.7
97.02908	0.2
99.00870	1.8
101.01870	0.1
101.02438	1.0
106.04234	0.4
113.02440	1.5
117.03453	4.6
118.03785	0.2
119.03498	0.2
123.02652	0.1
125.02409	0.3
131.03499	0.4
132.02173	2.2
133.02968	0.2
134.03729	76.9
135.04059	3.2
137.02425	0.4
139.03992	0.2
143.03499	0.2
149.04588	1.0
149.06067	6.4
150.06465	0.2
155.03497	0.2
160.01643	7.8
161.02040	0.3
161.04590	0.3
171.10272	0.9
173.04541	0.8
175.03986	9.3
176.04373	0.2
178.02660	1.1
191.05612	1.0
193.05034	100.0
194.05371	5.5
197.11819	0.2
203.05621	0.6
209.11815	1.6
210.12256	0.2
225.11324	0.8
227.12898	0.2
253.09312	0.3
255.19771	0.2
305.17407	0.2
404.83224	0.2
503.28918	0.2
545.25824	0.4
647.20319	0.2
677.33899	0.7
679.29572	0.6
680.29492	0.2
703.32361	0.2
721.30682	5.2
722.31342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03436	1.1
59.01374	7.1
61.98824	3.4
62.20865	0.4
67.01867	0.5
69.03446	4.3
71.01382	6.0
71.05024	1.3
73.02936	1.3
80.02672	1.0
81.03454	2.0
83.01370	1.4
83.05019	5.6
84.02148	1.1
85.02944	2.2
86.86589	0.5
87.00875	1.2
89.02438	3.0
93.03458	2.4
95.01350	0.6
95.05023	1.4
95.33522	0.4
96.96011	1.4
97.02951	0.5
97.06579	1.2
98.19781	0.9
101.02446	4.6
109.06577	0.5
111.04505	0.5
112.83932	0.4
113.02453	2.1
119.03485	0.6
123.08175	1.2
125.06065	0.8
125.09710	2.8
135.08150	0.8
137.02499	0.6
143.03491	0.5
147.11781	0.4
149.09660	0.5
151.00349	0.7
151.11246	2.8
153.12872	1.5
161.04553	1.2
161.09698	4.4
162.09953	0.6
163.11320	4.5
165.12833	2.8
165.22301	0.5
167.38933	0.5
171.10237	0.7
173.04527	3.3
179.05635	0.5
179.10771	7.9
181.12314	1.0
191.05588	4.8
191.10683	0.7
195.53072	0.4
197.11815	58.6
198.12155	4.1
207.10194	0.8
209.11809	62.4
210.12143	4.9
223.09668	1.0
225.11366	0.5
227.12805	4.3
229.62233	0.4
241.10887	3.2
253.09245	3.3
254.59479	0.4
273.17163	0.5
287.14932	1.1
289.20966	0.4
308.74808	0.4
433.27356	0.4
461.20242	0.6
463.09360	0.6
477.19742	1.8
669.30951	0.9
687.32233	100.0
688.20520	0.8
688.32605	19.9
719.35059	22.4
720.35254	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.4
61.87590	1.0
71.01373	4.0
71.09986	2.1
89.02445	7.8
101.02441	2.1
113.02433	2.1
119.03493	2.8
179.05559	2.9
215.03200	4.9
254.19261	1.5
276.74927	1.0
341.10883	22.0
377.08517	100.0
378.08835	8.0
609.53912	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.1
62.16734	0.8
68.91249	0.9
71.01382	6.4
71.09806	2.1
89.02427	10.3
101.02431	3.4
105.41616	0.8
111.28219	0.8
113.02435	1.8
116.87727	0.8
119.03494	4.6
143.03491	2.0
161.04562	1.5
174.27570	0.8
179.05548	4.9
180.28458	0.8
215.03302	4.9
240.10078	0.8
265.47592	0.8
280.03674	0.9
341.10889	20.7
342.11407	1.7
377.08530	100.0
378.08810	10.0
685.89899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.6
59.34320	0.7
61.98821	0.9
69.34269	4.6
69.34678	2.0
69.61696	0.8
71.01377	9.6
72.99316	0.8
73.02942	2.4
77.03758	0.7
80.02677	1.7
81.03463	1.6
83.01395	1.2
83.05018	5.8
84.02189	0.9
85.02942	3.1
87.00880	2.0
89.02444	10.1
95.05067	0.8
96.96000	6.1
97.02932	1.8
98.20651	1.4
101.02441	10.5
113.02442	6.1
119.03498	4.5
125.02405	4.1
133.06906	1.6
143.03516	0.9
147.04491	3.8
161.04524	2.5
163.11330	3.3
165.05568	2.6
165.12830	3.3
166.05946	1.1
173.04509	2.9
179.05598	3.4
182.04457	0.8
191.05544	2.2
191.10767	1.2
195.06313	0.8
207.06593	1.2
209.11801	100.0
210.12137	7.8
221.06615	1.2
227.12881	17.0
228.13254	1.6
235.08253	4.6
243.89883	0.9
253.09209	1.2
265.07541	1.2
287.07642	1.8
300.02710	1.7
301.03302	2.3
305.08774	1.4
323.09967	1.8
397.13470	61.8
398.13657	4.9
415.14508	26.6
416.14783	2.0
463.08716	1.3
464.09064	2.4
465.09308	3.0
507.20084	1.3
555.21497	1.2
607.26086	9.8
608.26147	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	717.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.1
66.84767	1.2
69.97566	2.0
69.97906	5.5
71.01378	12.7
72.99252	1.1
73.02949	2.1
80.02651	1.6
81.03439	1.1
81.84981	1.1
83.01395	1.8
83.05006	5.9
85.02946	3.2
87.00871	3.9
89.02447	11.7
91.21631	1.1
96.96004	12.0
97.02951	1.2
99.00849	1.6
101.02435	10.8
113.02462	7.5
115.84145	1.2
119.03502	3.3
125.02420	4.7
133.06888	1.9
143.03497	2.5
149.02362	1.6
150.03181	3.5
161.04552	2.4
163.11258	5.3
165.05519	2.3
165.12753	2.0
173.04514	2.3
179.05540	2.5
191.05574	2.1
191.10713	2.2
209.11806	100.0
210.12128	6.1
227.12842	16.2
235.08141	6.7
287.07886	1.8
305.08887	1.8
329.14026	2.7
339.87915	1.2
397.13461	63.3
398.13858	5.3
415.14554	23.6
416.14740	2.4
477.19113	3.0
525.21753	2.9
555.22211	1.3
607.25848	7.9
608.25940	1.5
617.95837	1.3
717.24750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.98826	100.0
71.63384	0.4
75.73598	0.3
78.79233	0.3
78.95914	0.6
89.02470	0.3
95.69913	0.3
101.91766	0.3
107.26779	0.3
255.23248	0.5
256.23706	0.7
397.13580	0.5
399.14075	0.5
400.14154	0.4
536.33997	0.3
553.26526	0.4
662.76727	0.3
716.42261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74971	0.8
55.01870	1.5
57.03441	2.0
58.00589	1.5
59.01376	100.0
60.01712	1.7
61.98830	5.0
67.01858	1.1
69.03456	2.7
69.17416	0.8
71.00983	1.9
71.01381	37.1
71.17641	1.4
72.99312	2.6
73.02944	16.5
78.95910	1.1
79.19374	0.8
79.95712	1.7
81.03494	1.1
81.85700	0.9
83.01379	10.5
83.04987	0.9
85.02946	17.5
87.00876	3.3
89.02444	15.3
91.87122	1.0
93.03472	2.0
95.01388	3.7
96.96006	24.8
97.02932	3.8
98.95583	1.6
99.00864	5.0
101.01771	1.4
101.02435	26.2
101.03071	1.8
111.00876	2.5
113.02431	19.7
119.03494	6.2
121.67503	0.8
125.02449	8.4
127.04063	1.2
131.03517	2.4
133.04077	0.9
135.08127	2.1
137.02406	1.6
139.07622	1.3
142.96712	0.9
143.03481	5.6
149.04538	2.3
151.07631	3.6
155.03511	2.5
161.04543	8.0
162.06841	2.4
173.04524	2.5
177.09198	2.2
179.05594	3.0
185.04539	1.3
191.05614	4.6
203.05562	3.0
209.11838	1.6
221.06619	4.6
263.07578	1.5
305.08752	1.4
381.22684	1.3
423.23947	2.9
459.29395	1.0
471.14960	1.3
515.31805	1.3
525.27020	12.5
526.27264	2.2
543.28009	7.4
544.28156	1.1
567.27863	9.9
568.28271	2.8
585.29120	65.2
586.29462	11.0
611.37488	1.6
627.30145	40.8
628.30426	7.7
653.39056	1.7
671.40399	4.9
672.40601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74236	0.3
59.01361	0.7
66.53762	0.3
70.28581	0.3
71.01390	0.6
71.62527	0.4
89.03973	0.9
91.79127	0.3
93.03448	1.1
96.95982	0.9
97.02937	0.6
99.36854	0.3
104.61610	0.3
105.03488	1.5
125.02437	2.1
132.87183	0.3
133.02962	4.4
135.04514	3.1
135.22890	0.3
137.02440	0.9
149.02455	0.6
153.79749	0.3
161.02414	0.5
173.04471	0.5
177.01906	100.0
178.02238	7.5
179.03558	3.1
189.01698	0.4
191.05576	2.5
201.01567	0.8
206.36812	0.3
211.36975	0.3
259.63504	0.3
303.06555	0.3
323.13364	0.4
339.07147	36.1
340.07498	3.4
341.08502	0.9
353.08853	0.3
361.09506	0.5
375.06958	4.3
376.07162	0.4
523.35016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05223	0.2
54.07051	0.2
55.51779	0.2
56.54883	0.2
57.70879	0.2
59.01354	0.3
61.98803	0.6
84.25121	0.2
84.81535	0.2
96.95985	0.2
98.19830	0.5
150.78003	0.2
191.05595	0.3
225.16112	0.3
345.56653	0.2
451.32507	0.3
513.63373	0.2
677.49738	2.8
678.50293	0.7
713.47284	100.0
714.47601	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
58.00570	1.3
58.99238	0.7
59.01381	24.0
61.98822	4.0
69.03468	1.5
71.01381	20.9
72.99303	1.8
73.02945	3.9
83.01373	2.7
85.02932	5.5
85.60744	0.9
87.00856	4.2
89.02436	20.1
95.01376	1.9
97.02933	3.9
98.19758	1.7
99.00896	1.0
101.02438	18.1
106.06091	0.8
106.84231	0.8
111.04501	1.0
113.02444	10.0
119.03512	5.4
125.02445	8.1
138.73640	0.8
139.04073	0.8
143.03503	2.5
161.04590	4.8
174.34607	0.8
179.05577	3.5
185.04630	0.8
215.73195	0.8
217.07385	0.9
221.06638	1.9
229.34908	1.4
235.08220	8.1
253.09166	1.9
255.23273	67.3
256.23608	6.2
287.07751	2.4
305.08838	4.2
314.10498	0.8
358.25943	0.8
397.13470	100.0
398.13867	8.2
415.14487	25.1
416.14951	2.9
596.52246	0.9
653.37231	6.1
654.37677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03447	0.7
58.00576	1.4
59.01375	31.6
60.01676	0.5
61.98827	3.9
69.03437	1.3
69.30421	1.1
69.30827	3.2
71.01375	25.6
72.99294	2.0
73.02943	4.7
74.97434	0.5
75.00873	0.7
78.95899	0.7
81.03450	1.1
83.01382	2.4
85.02948	5.0
87.00872	5.4
89.02436	22.8
91.03950	0.5
95.01365	1.8
97.02940	4.5
99.00855	1.5
101.02432	20.9
102.02779	0.9
103.04055	0.5
113.02434	9.3
119.03492	7.2
125.02435	10.0
129.52165	0.5
131.03523	1.1
133.05074	1.1
139.03976	0.9
141.01924	0.8
143.03493	3.5
144.88858	0.5
149.04520	0.9
161.04559	4.4
173.04581	0.6
179.05609	5.6
193.62318	0.5
196.61705	0.4
203.05545	0.5
221.06647	2.0
235.08174	11.9
236.08609	0.7
237.22147	0.5
253.09270	1.7
255.23257	75.4
256.23584	7.0
263.07632	0.9
287.07632	3.5
305.08722	4.6
305.18384	0.5
323.09775	0.9
338.87790	0.5
397.13446	100.0
398.13785	9.3
415.14520	32.5
416.14694	3.1
653.37451	6.3
654.37927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.00975	0.7
57.03436	1.2
58.00571	1.7
59.01375	30.0
60.01709	0.8
61.98830	4.4
63.45454	0.6
69.03439	1.1
71.01377	23.5
71.47520	0.5
72.99291	1.5
73.02937	4.0
74.57664	0.6
74.84271	0.6
81.00962	0.6
81.03455	1.4
83.01387	3.2
85.02941	4.7
87.00866	3.9
89.02437	23.4
89.02990	1.1
95.01373	1.4
96.95992	1.0
97.02940	4.5
99.00913	1.1
101.02443	16.9
103.00357	0.6
103.04047	0.6
113.02435	9.6
119.03482	5.9
125.02425	8.8
131.03505	0.9
139.03996	1.1
143.03496	3.8
149.04572	1.1
161.04514	4.1
179.05592	4.9
213.61340	0.7
217.07161	0.6
221.06738	1.7
235.08202	8.8
253.09219	1.7
253.21689	68.6
254.22046	5.9
277.21719	4.8
278.21951	0.7
287.07767	3.5
305.08737	3.8
323.10013	0.8
397.13449	100.0
398.13794	7.5
415.14529	30.1
416.14929	2.5
542.91187	0.7
651.35712	4.8
652.36487	1.0
675.35449	1.7
711.33337	6.2
712.33826	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	711.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
59.01376	100.0
70.90372	2.0
71.01382	11.0
73.02940	3.3
73.11231	0.8
83.01385	1.4
85.02935	5.3
89.02434	1.8
91.06943	0.9
97.56862	1.0
99.00869	3.3
101.02454	8.6
113.02438	3.7
130.33858	0.9
136.02490	0.9
152.00241	0.9
161.04523	3.8
191.05675	2.5
269.10229	9.0
311.11322	5.1
350.24738	0.9
449.99176	0.9
607.26208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30746	0.8
57.19323	0.9
61.29547	0.9
63.96219	2.3
68.56684	0.9
69.28882	5.0
69.29303	2.5
71.01372	9.4
73.02937	1.7
78.98585	7.4
79.67112	0.7
79.95728	13.2
80.08425	0.8
80.96508	82.2
81.03433	1.4
83.96482	0.8
85.02927	3.3
87.00849	2.3
88.73040	0.8
94.98083	18.5
97.02933	2.0
101.02429	3.0
106.10417	0.9
106.98078	4.6
113.42342	0.8
122.97582	5.1
125.02449	4.4
127.03972	1.3
134.97572	5.3
136.99107	1.7
148.99130	7.5
152.98607	7.5
159.00963	1.0
164.98615	12.8
171.10214	2.3
201.56044	0.8
206.99622	3.2
225.00708	23.8
255.23293	2.0
279.23297	1.0
453.14175	3.8
537.27716	1.7
709.38239	100.0
710.38477	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	709.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42707	0.3
53.06125	0.3
53.89945	0.3
55.01874	1.0
55.96407	0.3
57.03439	0.7
58.00591	0.5
59.01376	100.0
60.01710	1.2
67.01899	1.0
71.01379	10.0
72.66069	0.3
72.99315	0.5
73.02944	3.9
83.01382	1.9
85.02952	5.7
87.00872	1.4
87.41147	0.3
89.02446	1.8
93.03447	5.4
95.01378	0.3
96.95986	2.0
99.00887	1.6
101.02437	10.8
111.00858	0.4
111.04539	1.0
113.02441	4.9
119.03516	0.5
125.02480	0.5
131.80148	0.3
134.03737	2.3
135.04518	0.4
137.02467	0.3
143.03510	0.4
149.06094	0.4
159.02983	0.7
161.04572	3.4
163.11317	0.4
173.04535	7.9
174.04945	0.3
189.12968	0.4
191.05609	14.8
192.06027	0.8
193.05077	1.2
207.10254	0.4
235.11839	19.7
236.12260	1.1
255.35942	0.3
271.10864	0.4
277.12906	10.8
278.13321	0.9
301.11987	0.9
313.11963	0.3
321.11871	0.6
321.15430	0.4
367.10297	6.7
368.10690	1.0
387.16577	6.7
387.21133	0.5
388.17114	0.7
450.16711	0.8
548.02545	0.3
601.22070	0.3
615.25000	0.5
659.23712	1.2
710.14496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.8
71.40008	2.7
85.02934	11.4
89.02442	1.7
94.06635	3.3
98.42200	1.8
106.06631	9.6
108.04509	2.9
108.08170	4.7
112.04041	2.3
114.64668	2.2
120.04546	2.5
121.05328	3.0
122.06113	35.7
124.97058	1.8
134.06129	31.7
135.06815	2.4
136.07669	69.9
137.08006	4.0
144.04561	2.6
146.06163	5.7
149.04776	7.5
150.05540	2.9
151.58572	1.9
154.05092	4.5
160.04041	5.3
162.05641	3.3
164.07152	100.0
165.07489	4.9
172.03967	1.8
173.04730	4.2
173.07204	2.5
174.05624	2.0
178.08725	3.8
189.06694	2.9
191.05585	6.7
191.08215	12.3
201.06680	4.4
203.05931	1.9
203.08260	2.9
204.06601	1.9
205.09824	11.6
206.08168	18.0
215.08177	5.9
233.09285	50.6
234.09529	2.2
238.07582	2.1
241.09833	2.9
251.10333	79.8
252.10614	5.3
253.06525	1.8
253.09808	5.1
254.10555	1.9
271.02402	2.2
271.10815	6.3
274.07083	3.5
280.08365	2.3
281.09167	2.8
288.08734	4.9
293.16513	4.3
295.10880	7.5
296.11658	3.9
300.02676	3.9
301.03348	4.3
301.11917	6.8
319.12881	5.5
328.10431	3.9
337.15601	10.1
342.34033	1.8
353.11127	2.2
354.81223	2.0
381.14523	54.2
382.14963	6.4
407.12558	5.6
425.13501	46.7
426.13770	5.8
447.09256	8.4
447.37689	2.0
457.16147	56.0
458.16617	9.4
649.24957	16.0
650.25854	3.1
659.23694	4.5
677.24329	13.3
678.25568	2.7
691.15833	2.8
691.26422	31.0
692.26147	7.5
709.27258	83.5
710.27332	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	709.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01366	2.5
68.01406	1.4
85.02943	11.0
92.05030	2.9
93.03452	1.7
94.06608	3.9
96.72880	1.3
96.96004	2.3
101.02429	1.4
106.06635	9.1
108.04546	3.2
108.08185	4.5
112.04021	2.0
120.04520	1.4
121.05312	3.2
122.06115	39.0
124.04007	1.5
124.56255	1.1
128.14917	1.1
132.04520	1.4
134.06110	33.8
135.06885	2.5
136.04044	2.1
136.07671	67.3
137.07990	4.4
144.04538	2.6
146.06091	6.8
149.04776	5.7
150.05565	5.6
154.05092	4.2
156.06647	1.8
159.05556	1.4
160.04039	4.9
160.07494	1.3
161.02400	3.5
161.04642	1.4
162.05606	4.3
163.08936	1.4
164.07143	100.0
165.07458	4.0
173.04640	2.9
173.07100	3.5
174.05643	1.7
176.07085	1.4
178.05023	2.7
178.08702	4.3
186.09259	1.8
189.06662	2.0
191.05600	3.7
191.08237	16.8
201.06665	5.6
203.05980	1.7
203.08235	3.2
204.06587	2.9
205.09819	10.0
206.08206	18.3
215.08205	4.5
217.10204	1.1
231.07751	2.8
233.09288	56.2
234.09587	3.3
241.09856	3.5
243.11482	1.8
251.10313	77.6
252.10541	5.5
253.09892	3.7
259.10889	2.2
267.07608	1.9
271.10867	10.0
274.07141	5.1
277.11954	3.3
279.07623	1.4
280.08514	3.0
283.10788	2.7
288.08704	8.4
293.16571	3.3
295.10812	8.0
295.14014	2.1
296.11603	4.7
297.12210	1.6
300.02628	1.9
301.03268	2.3
301.11905	7.7
304.29938	1.3
319.12964	4.5
328.10516	2.0
337.15396	13.2
351.09662	1.8
353.15067	1.8
365.11343	1.4
381.14532	60.1
382.14923	8.8
407.12411	3.7
413.16873	3.2
425.13498	49.6
425.19333	2.2
426.13937	6.4
447.09161	2.0
457.16125	62.1
458.16458	7.9
547.22296	1.9
611.06671	1.5
617.22388	2.5
649.25116	17.9
650.25244	3.6
659.23553	4.6
660.23169	1.8
677.24640	16.3
678.24799	3.4
691.26172	35.6
692.26172	9.5
709.27197	84.2
710.27643	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
60.01784	0.2
60.32052	0.2
61.98820	0.5
69.03490	0.2
71.01373	2.4
72.99316	0.2
73.02941	0.7
77.45835	0.2
79.95715	0.4
83.01383	0.4
85.02950	1.1
87.00867	0.4
89.02444	0.6
93.03454	33.6
94.03784	1.1
96.96004	9.7
97.95931	0.3
98.20582	0.4
98.95584	4.1
98.96436	0.7
99.00874	1.0
99.92578	0.4
101.02448	1.2
109.02934	0.2
112.93651	0.2
113.02443	0.8
115.45237	0.2
115.92056	1.0
116.92864	2.5
119.03548	0.2
125.02460	0.3
125.09792	0.2
131.03427	0.4
137.02437	100.0
138.02779	3.7
149.04597	0.6
150.05672	0.2
161.04543	0.5
171.10329	0.3
173.04578	1.4
179.03525	0.2
191.05602	2.5
192.05902	0.3
203.05585	0.2
209.11801	0.5
221.50920	0.2
420.24954	0.2
457.11203	0.2
499.23807	0.2
623.27008	0.5
649.38824	0.4
665.27795	6.2
666.27740	1.7
691.34613	0.4
709.26123	0.4
709.37598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24073	0.7
55.01872	1.5
56.92358	0.8
57.03445	3.7
58.00586	2.9
59.01377	35.3
61.98807	2.6
69.03450	2.2
70.59511	1.9
71.01380	34.2
71.04999	2.5
72.01717	1.2
72.99313	1.7
73.02938	7.1
75.00854	1.3
78.95895	1.4
80.02676	1.2
81.03457	2.8
83.01368	2.5
83.05010	5.1
85.02934	8.6
87.00888	5.0
89.02438	23.1
93.03461	3.8
95.01381	1.9
95.05037	1.0
96.96012	7.0
97.02930	3.0
97.06568	2.1
99.00853	2.3
99.04500	1.3
101.02440	17.0
109.02921	1.6
109.06557	3.5
111.04500	0.9
111.08152	2.9
113.02438	9.7
118.98058	0.9
119.03505	6.0
119.08630	1.7
123.08141	0.9
125.02423	5.2
125.06063	0.8
125.09689	2.3
127.04001	1.1
133.04968	1.3
135.08168	0.9
137.02443	1.3
137.09674	2.4
143.03456	2.9
152.69258	0.7
155.10815	1.0
161.04526	3.4
163.11238	2.9
165.12851	1.6
167.10721	2.4
169.05087	0.7
169.12326	1.2
171.10249	21.0
172.10631	1.2
173.04515	6.4
173.05925	1.5
179.05597	4.6
181.12320	2.3
183.10263	0.9
185.11823	27.4
186.12115	1.5
187.07678	1.3
191.05597	9.8
193.15961	0.8
195.13925	1.7
197.11826	12.8
199.09712	1.3
199.13396	1.7
201.11317	7.0
207.10275	5.1
209.11813	37.8
209.15337	13.9
210.12135	3.2
211.13300	2.3
213.11179	1.2
221.06654	1.0
221.15402	1.7
223.17015	6.5
225.11366	5.3
227.12845	4.6
229.19589	1.0
233.15459	5.0
235.08192	6.3
243.12152	1.2
251.16498	15.4
252.16815	1.2
253.09222	5.0
257.08182	1.1
263.07770	1.2
263.20154	0.8
273.18549	2.5
275.09171	2.3
287.07574	0.8
291.16556	1.4
291.19635	19.1
292.20023	2.6
305.08759	1.1
309.20697	100.0
310.21021	9.8
318.89304	0.8
397.13443	33.4
398.13846	2.4
415.14557	34.2
416.14777	3.4
461.20203	1.1
533.17950	1.0
663.33862	3.3
675.32294	32.0
676.32373	7.3
689.33856	1.9
707.35059	11.7
708.35181	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	707.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58359	0.7
55.01858	1.3
57.03449	1.8
58.00601	1.5
59.01373	31.2
61.98827	5.6
69.03458	2.1
71.01377	23.4
72.01740	0.9
72.99311	2.3
73.02940	4.0
78.95892	1.5
81.03447	2.4
83.01395	2.2
83.05037	1.2
84.40965	0.7
85.02509	0.8
85.02938	5.2
87.00853	4.9
89.02436	25.1
90.02770	1.0
93.03456	3.4
95.01379	2.3
95.05017	1.3
96.95996	3.5
97.02955	4.4
99.00863	2.1
101.02442	21.1
104.70100	0.8
109.06590	1.2
111.04518	1.9
111.08153	10.8
113.02443	10.2
119.03501	9.1
125.02418	6.7
129.01927	1.4
131.03485	2.4
133.02963	1.7
134.03757	2.2
135.04495	1.3
137.02472	0.9
143.03464	3.9
149.04518	1.2
151.00371	1.7
155.03470	0.9
161.02492	1.2
161.04514	4.6
162.03210	1.1
167.10764	2.8
171.10307	1.5
173.04565	5.6
177.12822	2.0
179.05544	4.0
179.10745	1.6
187.07625	2.6
191.05586	6.3
195.13875	6.5
197.11823	1.0
201.11330	1.2
207.10307	1.3
209.11864	2.2
213.09207	1.0
215.07260	1.2
221.06584	1.6
225.11237	1.7
229.05385	0.9
231.10162	1.3
235.08189	6.4
236.08521	1.1
247.20647	1.5
253.09283	1.8
257.08313	0.9
263.07700	1.5
273.18573	1.4
275.09271	4.8
275.20377	1.3
291.19626	100.0
292.19955	12.9
305.08661	1.4
309.20547	1.7
357.69135	0.8
397.13486	18.4
398.13803	2.0
415.14545	17.4
416.14813	1.3
431.13126	1.0
433.59808	0.8
434.28458	0.8
449.14120	2.4
609.27435	1.1
671.23083	6.2
672.24799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92840	0.1
59.01378	1.5
59.13772	0.1
65.92924	0.1
69.39999	0.1
69.40401	0.6
71.01378	0.7
73.02940	0.2
79.95735	2.8
83.01376	0.1
83.05026	0.1
85.02945	0.3
85.37700	0.1
87.00867	0.2
87.04514	0.1
89.02462	0.3
93.03454	0.3
96.96004	100.0
97.95931	0.2
98.95580	0.3
99.00879	0.4
101.02451	0.4
113.02438	0.3
114.93468	0.1
116.92844	0.1
125.09722	0.1
127.11263	0.1
131.03351	0.1
135.04509	0.1
150.05655	0.1
161.02441	0.1
161.04431	0.2
163.11287	0.2
168.43396	0.1
171.10318	0.3
173.04504	0.5
178.99896	0.1
181.12331	0.4
191.05586	0.7
199.13431	0.2
201.11287	0.6
207.10269	0.8
209.11839	0.8
225.11320	0.9
227.12778	0.1
243.12291	0.6
271.10919	0.1
299.01849	0.2
300.02353	0.3
301.02670	0.1
361.29385	0.1
461.20718	0.1
505.33942	0.5
557.78705	0.1
565.35931	0.2
566.36066	0.2
610.14465	0.3
614.23254	0.1
647.36444	0.2
663.32928	0.8
664.32678	0.2
665.38782	0.1
689.33807	1.5
690.34430	0.4
707.23840	0.2
707.38824	0.8
708.37744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03445	0.6
58.00594	0.3
59.01376	100.0
60.01709	1.2
67.21616	0.2
69.46144	0.4
69.46548	1.2
71.00985	0.5
71.01379	8.0
73.02943	3.4
73.06595	0.2
81.50980	0.2
83.01396	1.7
85.02951	5.0
85.03439	0.3
87.00868	0.4
89.02425	1.5
95.01392	0.6
96.96014	0.6
97.02956	0.5
98.19824	0.4
99.00880	1.6
101.02441	9.9
113.02439	4.0
113.06092	0.3
119.03468	0.5
119.32861	0.2
125.02465	0.3
125.22021	0.2
138.06805	0.5
143.03494	0.4
151.07684	0.5
152.08444	0.4
153.09230	2.4
159.03003	0.9
161.04544	4.4
179.05641	0.3
190.10097	0.2
191.05638	0.6
205.12393	0.9
223.13321	1.2
235.11848	17.0
236.12292	1.1
277.12894	13.6
278.13336	0.7
321.12082	0.5
321.15463	0.5
385.18640	2.4
515.77026	0.2
615.37128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35617	1.2
59.01377	14.0
61.17814	1.1
61.98832	2.5
62.36729	1.1
63.02381	1.2
70.95255	1.0
71.63392	1.7
101.06078	3.2
107.01337	1.3
125.02454	1.8
151.00349	1.8
159.24248	1.1
211.03949	2.4
227.03467	74.3
228.03868	5.8
255.02951	100.0
256.03506	10.7
277.21643	1.3
284.03217	52.4
284.92490	1.2
285.03888	16.4
393.68100	1.1
497.80774	1.2
512.86133	1.1
523.35016	1.2
672.91418	1.4
707.30615	92.1
708.30994	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96998	4.0
51.03864	3.9
59.01376	53.5
59.47342	4.0
61.98821	14.9
62.70823	4.2
63.97152	3.7
69.27169	47.1
71.01383	32.5
73.02933	11.0
78.95917	3.9
79.95753	5.3
80.96526	14.2
82.95386	6.6
83.05012	6.8
84.05415	4.1
85.02956	12.5
87.00864	8.7
88.98806	4.7
89.02441	16.9
93.03469	18.3
96.96008	32.4
97.02928	4.3
99.00881	11.0
101.02438	14.5
101.34163	4.0
107.79916	5.1
109.06544	5.5
111.04545	8.0
113.02441	15.5
125.09710	5.8
135.04559	7.1
137.02475	7.5
140.73851	4.3
143.03511	6.1
149.74773	4.9
155.03500	5.7
161.04512	4.6
161.09698	6.5
163.11266	10.3
171.10246	7.1
173.04532	42.0
179.10805	14.4
181.12300	5.5
187.07657	9.5
191.05598	52.7
201.11104	5.7
207.10269	31.2
209.11812	100.0
210.12196	13.6
225.11275	42.5
226.11653	5.4
227.12856	32.0
228.13260	6.5
231.10295	8.2
235.08290	4.8
253.09425	8.9
257.08087	7.8
275.09213	16.8
309.20630	10.7
412.37201	5.0
449.14502	9.6
461.20239	18.8
525.37891	5.6
533.18042	5.7
616.67938	5.3
635.30817	8.2
653.31793	20.4
663.33630	4.9
671.32709	20.6
707.30408	65.9
708.30573	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	707.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00286	0.1
52.33570	0.1
55.47891	0.1
59.01361	0.2
62.14824	0.1
69.93526	0.3
70.56767	0.1
71.01379	0.2
79.95728	3.3
85.02946	0.2
93.03442	0.3
93.14067	0.1
96.95999	100.0
97.95931	0.4
135.04436	0.1
151.00406	0.1
160.95633	0.1
161.02422	0.2
173.04530	0.2
191.05565	1.0
192.05911	0.2
243.02933	0.1
255.02997	0.3
271.02353	0.5
300.02740	1.2
301.03473	0.4
310.73434	0.1
340.05408	0.1
446.58908	0.1
513.10413	0.1
514.10663	0.1
515.08392	0.6
608.14856	0.1
609.14453	1.4
610.14813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
59.01371	2.6
60.65513	0.2
61.98837	0.4
65.85426	0.2
71.01380	2.3
73.02941	0.7
80.02670	1.3
81.03442	1.3
83.01376	0.6
83.05023	4.6
84.02154	1.0
85.02953	0.7
87.00852	0.4
89.02460	1.5
93.03466	0.4
95.05023	0.7
96.96013	0.7
97.06547	0.3
98.20621	0.7
99.00826	0.3
99.32234	0.3
99.80986	0.2
101.02441	2.2
109.06606	0.5
113.02467	1.1
119.03511	0.4
125.02456	0.4
125.06086	0.5
125.09742	0.6
135.08206	0.6
161.04507	1.0
163.11275	2.9
165.12820	1.5
171.10257	1.0
173.04637	0.4
174.50504	0.2
179.05527	0.4
181.12303	0.4
191.05615	0.9
191.10793	0.9
197.11836	0.3
201.11205	0.4
207.10197	0.3
209.11810	100.0
210.12151	6.9
225.11336	0.3
227.12871	14.2
228.13187	0.8
235.08209	2.0
236.08701	0.3
247.13391	0.4
253.09262	5.2
254.09668	0.3
259.15533	0.5
265.14423	0.4
307.19177	0.5
415.14758	0.3
445.20706	1.9
637.31903	0.7
687.31262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.01292	0.9
57.03452	3.9
58.00572	1.4
59.01374	47.2
61.98538	0.7
61.98816	3.7
67.01865	0.8
69.03448	3.8
71.01376	40.9
71.05036	1.7
72.99288	2.7
73.02946	7.9
75.00856	1.2
78.95901	1.1
80.02657	1.3
81.03459	4.4
83.01384	5.8
83.05011	3.4
85.02941	9.8
87.00859	8.7
88.98807	1.0
89.02438	40.8
93.03435	2.3
95.01380	2.4
95.05025	2.6
96.95984	2.5
97.02934	9.1
97.06573	4.7
99.00857	2.9
101.02435	33.8
102.02762	1.0
109.06577	4.4
111.00861	1.4
111.04528	1.5
113.02438	15.6
119.03483	10.9
119.08599	1.1
121.06625	1.8
123.04507	4.5
123.08126	2.5
125.02430	9.4
125.09705	6.8
127.03921	0.8
127.07628	0.9
131.03493	1.3
133.04997	0.8
134.03749	1.1
135.08170	2.0
137.09683	3.9
139.03986	1.1
141.12820	1.3
143.03506	4.6
149.04550	1.1
150.10478	0.8
151.11305	1.6
153.09213	0.7
160.08974	0.8
161.04538	7.5
163.07593	1.0
163.10199	0.9
163.11320	10.0
165.12839	3.4
171.10257	1.9
173.04550	3.0
173.09657	0.9
177.17378	0.8
178.99892	0.9
179.05598	8.6
179.10736	1.2
181.12297	3.1
183.13910	1.2
185.11827	7.0
191.05545	3.7
191.10651	2.2
191.14401	9.5
193.04900	1.1
193.12271	1.1
197.11826	2.0
207.10275	10.8
208.10588	1.7
209.11809	33.1
210.12097	4.0
211.13487	4.0
217.07054	0.9
221.06604	3.4
225.11336	8.1
226.11740	1.1
227.12927	4.2
235.08191	8.8
237.11285	5.7
245.19055	16.4
246.19440	2.1
253.09204	5.2
263.07758	2.6
263.20160	4.8
271.16959	2.8
279.19684	1.2
281.21249	1.9
287.07693	1.1
289.18060	82.4
290.18356	8.4
305.08701	1.7
307.19113	100.0
308.19455	10.9
323.09772	0.9
325.20273	1.2
357.26443	0.8
379.12128	1.6
397.13470	48.3
398.13779	4.4
415.14505	40.9
416.14847	3.5
580.02020	0.8
607.25916	5.4
637.31384	1.0
655.32904	1.4
673.33508	2.4
687.32275	1.4
705.33411	10.8
706.34125	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	705.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60347	0.7
53.83696	0.6
55.01886	0.8
57.03436	1.6
58.00603	0.9
59.01381	14.9
61.26958	0.7
67.01894	0.7
67.67409	0.6
69.03469	1.0
70.77222	1.8
71.01376	7.5
71.05018	2.6
71.16196	0.7
72.83989	0.6
73.02937	1.8
79.95733	3.2
81.03435	0.7
83.01376	1.5
83.05019	1.4
85.02947	2.9
86.47110	0.6
87.00877	2.6
89.02438	4.8
93.03468	2.1
95.01392	0.9
95.04998	1.0
96.96006	100.0
97.02927	2.9
97.06600	2.5
98.20656	0.6
99.00877	12.9
101.02426	5.0
106.06622	0.8
108.04514	0.7
109.06577	1.1
110.03799	0.6
113.02449	3.7
119.03489	1.0
123.08172	1.7
125.02459	0.7
125.09710	5.7
127.11205	0.9
135.08153	1.4
143.03517	0.7
151.00354	3.9
153.12793	0.9
161.02353	0.8
161.04567	0.9
161.09714	1.7
163.11278	6.8
164.11609	0.8
165.12849	0.7
171.10252	3.1
173.04517	2.4
178.99826	1.8
179.05614	1.0
179.10837	1.8
181.12335	12.1
182.12642	0.9
186.03255	0.8
191.05623	7.2
197.11826	14.0
197.33205	0.6
199.03986	1.6
199.13417	6.7
201.11328	6.1
207.10255	21.4
208.10600	1.0
209.11833	12.9
214.02715	1.8
215.03378	0.7
225.11301	31.8
226.02647	0.9
226.11717	1.7
227.03461	1.6
227.12732	1.1
235.08179	0.9
239.79155	0.6
241.01350	2.3
241.10628	0.7
242.02213	3.9
243.02975	2.4
243.12344	19.3
244.12718	1.2
245.00873	1.3
253.09355	2.3
255.02992	3.7
270.01755	3.5
271.02466	7.7
272.02826	0.9
284.03186	0.8
285.03854	0.9
299.01950	26.0
300.02594	9.8
301.03384	3.3
304.29858	0.7
307.19131	1.5
397.09354	1.4
397.13620	1.2
461.20511	1.5
463.08865	2.5
468.33264	0.6
479.21399	4.4
509.69162	0.7
607.12512	1.7
608.13782	18.5
609.13336	3.1
629.22388	2.8
660.36005	0.7
661.35901	6.1
662.37299	0.9
663.35541	1.1
687.21161	1.1
687.32092	15.1
688.32532	2.9
705.21301	5.9
705.33252	80.6
706.21967	0.8
706.33496	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	705.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90663	6.0
56.06659	7.2
59.01384	43.1
61.58749	7.0
61.98819	58.3
63.60693	6.1
69.47193	45.3
71.01365	29.4
78.95890	25.8
80.96516	9.4
85.02940	12.9
86.94508	6.3
87.00859	10.4
89.02444	8.7
93.03445	15.1
96.95982	26.8
97.02933	8.5
105.38648	6.3
109.06573	28.6
113.02447	8.3
152.99593	9.3
163.11270	17.2
171.10196	14.0
173.04559	12.3
191.05647	39.5
201.11250	7.7
207.10211	87.8
208.10597	6.7
209.11873	44.8
211.13310	7.9
223.09785	8.0
225.11314	64.0
227.12910	8.2
253.09254	15.3
397.19766	10.2
461.20105	16.6
522.91241	7.8
538.03711	7.6
607.27759	20.9
625.28589	43.3
633.29016	18.2
651.30048	100.0
652.30426	14.7
653.84509	7.0
669.31110	58.5
705.29132	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03784	0.7
57.03453	3.3
59.01374	5.6
59.77037	0.5
60.15649	0.6
63.02400	8.4
65.00321	10.2
71.01367	2.5
73.02918	1.2
83.01385	10.2
85.02940	1.7
88.47137	0.6
89.02431	1.5
93.03440	1.2
95.01382	1.5
96.96011	6.0
99.00854	1.8
99.04550	0.7
101.02405	1.7
107.01378	21.8
109.02933	0.8
111.00837	0.7
113.02397	0.9
119.47281	0.7
123.00880	0.7
124.01662	7.1
125.02435	13.1
137.02393	0.8
139.00392	0.8
142.48177	0.6
145.08682	2.0
151.00359	74.8
152.01158	18.4
153.01932	5.1
159.04491	1.1
161.02374	0.6
163.00357	0.8
165.01894	0.8
169.01390	4.6
172.05278	0.9
173.04503	1.5
173.06015	3.0
177.01921	1.7
178.99841	71.8
180.00151	3.3
181.01381	1.2
184.93216	0.7
187.03946	1.7
187.07610	2.1
187.09581	1.0
188.04774	1.4
189.01938	0.9
189.05560	3.7
190.02545	1.0
191.05606	3.1
199.07611	1.6
200.04803	3.1
200.06328	0.8
201.05466	1.8
203.03426	1.0
209.06186	0.9
215.07106	23.0
216.07549	1.9
217.08658	3.6
225.05588	1.3
225.09145	0.6
227.07024	3.9
232.03630	1.1
239.07182	1.1
241.01106	0.7
241.04924	2.7
242.05777	1.7
243.02901	1.6
243.06552	3.4
253.05002	5.6
254.05605	1.8
255.02982	2.5
255.06200	0.7
265.08603	1.4
267.06378	0.8
270.05466	1.0
271.02756	5.2
271.05878	6.2
277.08652	0.7
278.05670	0.8
281.09363	0.8
288.32333	0.8
289.08508	0.8
291.06812	0.9
293.08206	2.3
296.03326	1.2
298.01105	0.6
299.01913	3.9
300.02713	8.2
301.03165	1.4
305.08057	1.5
306.05215	0.9
309.08679	3.4
311.01920	1.6
311.09421	1.4
321.03909	1.7
322.04733	1.1
325.07080	1.7
333.07547	5.6
334.08054	1.6
335.09174	1.0
336.06284	2.2
350.04349	0.8
351.08627	1.4
353.07089	2.3
361.07257	3.2
378.07272	1.3
379.08182	12.1
380.08350	1.1
397.09213	27.3
398.09433	2.3
421.84818	0.8
431.09753	1.2
543.02820	0.8
563.01514	0.8
579.17010	1.8
597.23926	0.8
608.13824	0.9
618.51172	0.6
629.26038	2.1
661.30560	1.9
673.24567	2.5
674.26514	0.8
705.20142	100.0
706.20465	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	704.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03428	2.2
58.00571	0.8
59.01375	79.7
60.01710	1.2
61.98813	2.3
64.72575	0.7
65.00302	1.6
69.03448	1.4
71.01379	21.9
71.05007	1.7
71.63539	1.1
72.99297	1.6
73.02940	11.7
79.95702	1.2
83.01389	3.5
83.05006	1.1
85.02944	8.1
87.00859	4.6
89.02438	11.3
93.03448	3.2
95.01376	1.7
96.96003	19.0
96.96935	0.8
97.02961	1.0
98.95556	1.0
99.00858	2.4
101.02433	16.1
107.01369	1.9
109.02932	0.9
109.06544	0.9
111.04504	1.1
113.02447	9.8
115.07623	3.6
119.03524	3.9
119.08630	0.9
121.06613	0.8
125.02441	1.6
135.04491	1.1
139.37242	0.8
140.10774	1.1
143.03505	1.7
145.02911	0.8
149.04576	1.2
151.00357	6.7
155.03583	0.7
156.10280	2.8
157.02988	0.8
158.03664	0.9
158.11873	6.2
161.02441	0.9
161.04555	4.3
168.13922	0.9
171.04520	1.0
173.04497	4.6
178.99828	3.0
179.05614	1.8
181.12431	1.0
183.04498	2.1
183.10251	0.7
186.03204	1.3
187.04024	1.1
189.01891	1.0
191.05606	11.5
197.11763	2.2
198.03152	0.9
199.03975	4.4
201.01920	0.8
201.11174	1.0
203.03506	0.9
207.10068	1.2
209.11749	2.6
214.02663	4.1
215.03514	1.4
225.11220	2.4
227.03452	4.7
241.01346	6.1
242.02167	10.1
243.02954	9.1
243.12453	0.8
245.00850	5.1
253.09360	1.3
255.02982	7.4
256.03668	0.9
270.01682	11.1
271.02432	17.0
271.10754	1.1
285.04016	1.7
289.18082	1.1
298.01175	3.8
299.01926	67.5
300.02737	15.1
301.03470	7.0
302.16000	1.9
313.03363	2.0
314.04376	1.5
320.17252	1.4
339.04935	0.8
396.08270	1.7
397.09143	5.5
463.08725	6.6
540.31677	2.4
568.56128	0.8
600.32935	1.6
607.12982	4.9
608.13739	53.2
618.33752	3.2
642.34705	2.4
645.35004	2.8
660.35895	100.0
661.36572	21.0
663.36041	1.8
687.32190	2.3
704.32196	1.9
705.20605	13.4
705.33813	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	704.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60420	0.2
59.01374	6.7
60.01703	0.5
60.44995	0.2
61.01811	0.3
61.98825	100.0
78.95936	0.2
95.60149	0.2
96.38280	0.2
152.99622	0.3
229.22943	0.3
276.23715	0.3
279.23245	0.3
407.67047	0.3
439.90091	0.2
482.15469	0.3
483.15329	0.8
484.15305	1.4
497.17267	0.3
498.17261	0.7
499.17834	0.4
542.16345	0.4
543.17023	0.5
556.18921	0.4
557.18896	1.5
558.18964	3.7
574.15790	0.3
575.15924	1.0
589.17261	0.3
643.22882	0.5
644.22736	1.8
645.72528	0.2
703.24347	0.3
704.24585	6.9
705.24292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67228	12.9
59.01381	14.4
61.98833	100.0
62.89030	11.1
65.70979	12.3
71.46819	27.1
78.95895	15.5
79.92441	12.9
125.02444	22.8
158.27133	13.0
160.49789	13.2
171.10265	27.5
184.60266	13.4
203.23137	11.6
207.10307	24.8
231.65227	12.3
255.23341	15.2
277.21634	56.6
298.64670	12.6
650.24213	14.6
703.40344	20.3
704.43414	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85100	0.7
55.01883	0.7
56.67122	0.7
57.58257	0.6
59.01374	12.5
61.98820	2.3
62.35423	0.7
67.55659	0.5
67.61246	0.6
71.01379	6.6
71.63404	0.7
73.02953	1.7
78.95918	1.2
80.02666	2.2
81.03449	3.5
83.01360	0.9
83.05016	8.6
84.02153	1.0
85.02952	2.6
87.00876	1.8
89.02434	3.8
93.03455	1.4
95.01380	1.1
95.05040	1.4
96.96011	3.6
97.02932	5.4
99.00871	2.0
101.02424	5.2
107.05038	1.1
109.06582	23.2
110.06925	1.0
111.04530	0.8
113.02454	3.6
119.03492	1.6
121.06603	0.8
125.06080	0.7
125.09718	1.1
133.06488	0.8
135.08182	3.4
136.05226	0.8
137.02365	0.8
139.04024	0.8
142.02681	1.3
145.10234	0.9
149.04678	0.8
161.04553	1.9
161.09680	1.1
163.11267	17.3
164.11595	1.0
165.12828	2.8
171.10237	2.6
173.04482	1.8
181.12321	4.8
185.11810	2.0
189.09212	1.8
191.05583	2.6
191.10823	1.2
197.11897	0.7
200.54855	0.8
207.10249	57.8
208.10626	4.2
209.11813	100.0
210.12141	5.8
211.13551	0.9
225.11313	26.6
226.11644	1.2
227.12881	14.0
228.13158	1.0
231.10333	1.2
235.08221	2.7
247.13374	0.9
249.11250	1.1
253.09230	10.4
263.12772	1.0
299.15268	0.8
310.39478	0.7
342.85751	0.7
355.22934	0.7
399.21747	4.0
400.21844	0.8
417.22647	4.4
443.19061	2.7
445.20767	1.0
461.20230	9.0
462.20621	0.8
483.33945	0.7
491.26443	0.7
635.30640	16.9
636.30872	2.4
653.21436	1.3
653.31842	16.7
654.31915	3.4
671.32764	25.6
672.33020	4.7
691.15649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83863	0.9
53.02651	0.7
55.01859	0.9
57.03435	1.9
59.01377	14.2
61.98814	2.6
67.01880	0.9
69.03445	2.5
70.82239	1.6
71.01376	7.6
71.05016	3.6
72.99301	1.4
73.02932	3.0
82.77489	0.8
83.01382	1.3
83.05010	1.4
85.02944	3.7
87.00858	2.4
89.02425	4.8
93.03452	1.8
95.05019	1.4
96.95995	8.7
97.02940	3.3
97.06582	2.9
99.00877	13.1
101.02446	6.6
101.03094	1.0
106.06565	0.9
109.06575	2.1
111.00858	0.9
111.04496	1.2
113.02434	3.4
119.03489	1.9
123.08147	1.9
125.02417	0.8
125.08920	0.9
125.09713	5.8
126.95333	0.8
127.04029	1.3
139.04019	5.5
142.02689	1.2
150.05620	1.4
151.11220	1.2
153.12851	1.5
161.04564	1.4
161.09743	1.3
162.95554	0.8
163.11281	7.3
171.10262	1.4
173.04547	4.0
177.38165	0.8
179.10725	4.1
181.12317	9.4
191.05539	7.5
197.11810	34.6
198.12102	1.8
199.13339	7.0
207.10243	18.0
208.10545	1.8
209.11772	5.9
225.11296	26.7
226.11682	1.3
227.12950	0.9
241.10764	2.2
243.12332	10.4
251.08182	1.1
253.09332	1.8
267.11334	1.2
287.16425	1.5
289.12210	0.8
305.17587	3.5
311.10440	1.2
449.14514	1.0
468.17999	0.9
479.21460	2.3
503.10062	0.9
583.21564	1.0
627.21808	2.9
659.32495	2.5
660.35791	3.6
671.20380	2.3
672.20709	1.2
685.30756	3.2
686.31860	0.9
703.31763	100.0
704.32159	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	703.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54568	0.1
59.01376	0.6
60.98971	0.1
69.26418	1.1
71.01366	0.3
73.02946	0.2
79.95733	3.3
85.30352	0.1
89.02446	0.2
93.03443	0.1
96.96003	100.0
97.95952	0.5
98.95596	0.4
99.00887	0.1
116.92896	0.2
189.12857	0.2
191.05641	0.5
207.13849	0.2
209.11873	0.3
305.79053	0.1
313.49786	0.1
361.59839	0.1
561.25476	1.5
562.25763	0.4
600.92853	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	701.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20278	0.5
59.01374	100.0
61.98836	0.7
70.69737	1.6
151.73827	0.5
259.45212	0.6
274.33868	0.6
437.12546	1.1
438.13330	3.7
439.13535	0.8
452.14651	2.2
455.09647	0.6
480.14212	0.9
481.15137	30.1
482.15457	7.5
495.16699	12.0
496.17197	2.8
497.18317	6.2
498.18713	0.7
514.14941	1.8
539.15637	2.2
540.16211	8.0
541.16736	2.4
553.17621	0.9
554.18115	3.1
555.18805	55.1
556.19086	15.2
567.18475	0.9
572.15387	13.7
572.29315	0.7
573.15503	4.8
586.17114	6.0
587.17700	1.1
609.19501	1.6
617.14307	0.7
627.20996	1.3
641.22455	29.7
642.22693	9.0
701.24579	78.4
702.24878	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06753	0.3
61.98826	100.0
62.26915	0.3
62.91552	0.3
69.68666	0.8
69.69067	1.4
98.20568	0.6
101.06083	1.3
209.11887	1.1
238.74792	0.4
239.53856	0.3
253.21936	0.6
255.23383	1.0
340.19543	0.3
351.07285	0.7
367.20065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55684	0.1
58.67621	0.1
59.01372	1.3
63.55532	0.1
67.05903	0.1
71.01380	0.7
71.62878	0.2
73.02943	0.2
78.95895	0.2
79.95728	3.1
85.02927	0.2
89.02441	0.4
90.84423	0.1
96.96001	100.0
97.95942	0.3
99.00861	0.4
101.02438	0.3
107.83128	0.1
113.02418	0.3
134.06068	0.3
153.09187	0.3
165.96368	0.1
173.04527	0.2
179.03377	0.2
180.30815	0.1
191.05592	0.8
192.06628	0.4
205.12309	0.4
229.82799	0.1
266.99564	0.1
335.01785	0.4
339.13553	0.2
345.09833	0.2
392.38831	0.1
519.19720	0.5
559.23871	2.1
560.24243	0.4
626.23816	0.2
670.22107	0.2
702.25232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.5
61.98811	1.9
67.09199	0.9
70.41436	3.2
71.01374	5.1
73.02953	4.3
75.00894	1.3
77.84382	0.9
79.95723	1.0
83.01397	1.2
85.02942	2.7
89.02428	2.4
93.03460	3.0
96.96008	23.9
99.00880	1.5
101.02428	4.5
109.02945	0.9
112.98828	1.5
113.02450	3.3
121.02979	4.5
123.00822	1.1
123.04433	1.6
125.02483	1.1
131.05161	0.9
135.04567	4.2
137.02498	2.2
145.02946	1.2
145.08644	2.6
146.03755	1.8
147.04509	7.0
148.05217	1.0
149.02458	2.1
150.03212	5.5
151.03966	1.8
155.95763	0.9
158.03737	3.7
159.04509	10.4
160.05283	21.4
161.06050	13.2
162.03299	1.1
163.03984	6.3
164.04787	7.9
173.04517	4.6
173.06047	4.8
174.01730	1.3
175.07616	12.6
176.04805	1.1
176.07993	1.7
177.05594	7.0
178.06375	5.4
179.07178	1.3
191.05597	9.0
191.07159	2.0
193.08575	1.2
200.78458	0.9
209.06000	0.9
225.05557	1.6
226.06288	2.0
238.06285	4.0
239.07208	4.1
240.04352	1.0
241.08696	1.2
249.05450	1.1
251.07072	2.1
253.05104	1.7
253.08690	1.4
254.05832	6.3
255.06473	6.7
264.07779	1.4
265.05408	1.3
265.08698	3.2
266.05811	8.8
267.06570	16.1
268.07147	3.4
269.08160	17.0
270.08926	5.0
281.08157	24.0
282.08838	7.6
283.09726	2.4
284.10400	3.3
293.08182	1.1
295.09650	2.0
296.06885	2.8
296.10376	2.3
302.07993	2.4
314.07831	4.5
316.09396	3.2
328.09567	1.9
371.14926	1.9
417.13235	1.0
429.13287	4.4
432.15656	2.8
433.16037	1.1
433.73676	0.9
444.15866	7.2
445.15930	1.3
447.18097	9.5
448.18387	2.4
459.18359	8.5
462.16870	3.0
474.16849	6.3
477.19138	77.9
478.19470	14.5
489.19177	100.0
490.19452	15.1
507.20157	59.6
508.20334	9.3
519.20221	45.1
520.20343	8.3
537.21191	8.8
538.21454	1.7
595.33276	2.3
613.34064	1.8
699.25092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	37.3
61.98820	30.4
62.50847	7.4
70.29546	27.4
71.01388	15.3
78.95895	12.6
82.75883	6.4
89.02441	15.2
101.02452	20.6
119.03445	7.1
127.42431	6.5
171.10234	7.9
173.04570	10.5
191.05629	14.5
199.09766	7.3
209.11710	8.8
215.04591	7.6
263.20135	33.4
269.42853	7.6
274.81723	6.8
333.54498	7.1
397.13495	100.0
415.14322	29.2
551.90991	7.7
568.19629	8.0
697.32080	58.9
698.32874	19.2
728.04449	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	697.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16657	0.4
59.01377	100.0
60.01713	1.4
61.98831	1.9
62.86479	0.3
66.08205	0.3
69.28922	3.6
71.01380	0.8
73.02937	0.7
78.95901	0.5
93.03465	0.9
96.95988	3.6
116.92871	0.5
121.02978	2.3
125.58880	0.4
135.04549	1.0
138.63095	0.4
152.99590	0.8
159.58400	0.5
162.06801	0.4
171.10307	1.0
173.04535	0.4
177.09212	0.5
191.03540	0.8
191.05484	0.4
203.76904	0.4
209.04561	1.9
226.70248	0.4
374.06531	0.5
390.91690	0.4
393.80396	0.5
472.03183	1.6
480.79901	0.5
544.04492	0.4
593.13251	1.1
601.82574	0.5
637.38928	0.5
655.40906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23498	0.3
53.65000	0.3
54.89243	0.3
59.01375	12.1
63.91121	0.3
68.99833	0.4
69.03461	3.3
70.81709	0.7
71.01377	4.8
73.02921	0.5
81.03438	0.5
83.01389	1.0
85.02943	1.2
89.02443	4.5
93.03474	0.6
95.01402	1.4
96.96008	1.0
97.02946	15.3
98.03311	0.4
100.81363	0.3
101.02430	3.3
103.85946	0.3
107.01370	0.4
111.04460	0.3
113.02409	1.3
117.03460	0.4
119.03470	2.0
121.02945	0.6
123.04536	0.7
125.02438	100.0
126.02782	3.6
133.02956	1.9
135.04472	0.6
137.02423	0.6
143.03444	0.4
151.03992	0.8
152.04803	3.6
153.05525	0.3
161.02437	41.6
162.02769	2.2
167.07112	0.5
173.04523	1.1
179.03445	1.3
191.05594	7.4
192.06007	0.4
193.04977	0.5
196.03807	0.8
200.45210	0.3
203.05621	1.2
211.06070	4.0
212.06476	0.4
302.51526	0.3
323.13480	14.6
324.13803	0.8
329.08679	4.2
330.09100	0.5
353.08875	1.0
373.11325	4.7
374.11554	0.4
574.20129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.1
59.01376	18.5
60.99302	20.9
69.03407	0.6
70.46203	2.1
71.01373	7.6
73.02942	3.7
79.95730	1.1
83.01400	1.7
85.02954	3.3
88.98798	100.0
89.02446	3.6
89.99142	1.1
93.03447	2.4
96.96006	18.5
99.00883	3.2
101.02439	4.7
106.56081	0.6
113.02443	3.9
119.03506	1.3
123.08147	2.2
125.02379	0.9
133.02951	0.9
135.04517	2.1
149.04594	0.9
151.00363	1.3
161.02454	1.2
161.04568	1.9
163.11255	2.1
164.86775	0.6
173.04552	4.7
183.60846	0.7
189.12834	3.3
190.02135	0.6
191.05614	11.5
192.05945	1.0
193.01587	1.0
198.25064	0.6
207.13876	6.2
225.14793	1.0
234.99367	1.1
309.09628	0.8
327.92416	0.7
387.00900	0.8
397.13541	0.8
417.78366	0.7
429.21313	2.1
475.97583	0.7
501.23270	1.1
519.24329	5.6
520.24756	1.2
541.09290	0.8
551.17242	0.8
561.25427	69.9
562.25848	12.2
659.27856	0.9
695.17432	1.2
696.12390	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	693.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70761	2.4
52.88432	1.7
59.01368	9.3
60.99299	2.1
67.01875	5.6
69.40089	3.0
69.40503	13.5
71.01370	5.1
76.49081	1.9
81.03465	2.3
85.02952	8.6
87.00869	7.8
89.02437	2.3
93.03447	43.1
94.03783	2.4
96.95998	8.0
98.19928	5.0
101.02398	2.5
108.04557	5.2
109.02956	4.2
110.06120	2.5
111.04494	6.1
121.05337	3.5
122.06092	15.0
127.04096	2.3
132.02126	3.2
133.02992	13.3
134.06113	19.6
135.04503	11.9
135.06891	5.8
136.07710	7.5
138.05577	3.9
140.07173	24.6
146.06059	3.1
149.04790	6.5
150.05559	5.2
152.07129	4.2
153.04332	2.3
160.01675	12.2
160.90460	2.2
161.02429	3.3
161.04774	5.7
162.05577	14.4
164.03508	7.1
164.07129	13.7
166.05074	6.4
167.05833	5.0
168.06604	2.3
172.04008	4.2
173.04590	19.0
177.01913	7.0
178.02577	2.5
179.03352	5.5
184.06067	2.5
185.02385	3.3
191.05583	71.2
191.07310	4.3
192.05902	2.5
193.04950	4.2
204.06647	8.8
211.08730	5.0
212.05890	12.7
215.05533	3.3
215.11673	2.7
225.06653	6.3
225.10214	3.8
227.11743	2.9
237.10258	9.0
239.08177	16.3
239.11737	3.4
240.08971	4.9
243.11330	6.6
251.08253	2.9
251.11845	5.0
252.09038	6.7
252.10411	2.8
252.12686	5.7
253.06165	17.3
253.09763	16.9
254.06599	3.1
255.11310	7.3
261.12308	5.8
265.06183	4.4
266.06863	8.4
267.07730	20.9
267.11130	13.1
268.08578	12.6
268.12000	8.4
269.12729	2.2
273.12335	15.5
279.07632	9.5
279.11050	3.5
280.08447	29.0
281.09244	33.0
282.09674	2.5
283.10770	3.0
285.08908	4.2
285.12314	3.5
286.00876	2.0
295.10861	100.0
296.11533	34.9
297.12317	23.3
299.10278	6.8
300.11099	2.4
301.11899	9.8
303.13440	47.8
304.13748	4.2
311.10242	2.9
313.11923	4.1
319.12924	2.5
321.14590	3.1
327.13422	27.7
328.10394	3.1
328.13855	2.7
339.05267	4.2
339.09592	25.8
340.10626	7.8
341.11377	9.2
351.07266	13.6
371.12439	31.5
372.13016	7.1
373.13907	6.0
390.14355	4.0
404.15927	3.8
407.14642	3.6
420.15070	2.8
479.16455	2.4
501.13831	10.8
511.19516	7.4
513.13708	16.3
557.23877	4.8
599.25238	18.1
601.22913	26.5
602.23541	5.9
617.26019	5.4
633.25519	18.9
634.25702	4.2
643.24011	78.6
644.24255	15.0
661.25146	63.4
662.25476	12.6
675.26599	47.1
676.27356	13.4
693.19843	24.8
693.28528	16.8
694.19501	6.2
694.29431	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.1
68.88165	1.0
71.01379	3.1
71.62581	1.3
77.57825	0.9
79.05430	1.0
79.95735	2.5
85.02950	2.9
85.08589	0.9
89.02440	2.5
93.03448	3.3
96.96000	38.8
97.95932	1.1
98.61747	1.0
98.95583	19.9
98.96423	2.8
101.02427	2.0
121.05305	1.3
122.06091	5.9
133.02943	1.4
134.06126	6.2
135.04480	1.7
135.06841	0.9
136.07645	1.6
140.07141	5.0
144.04613	1.1
146.06071	1.8
149.04773	4.2
150.05508	1.3
152.07191	1.0
161.04770	4.6
162.05563	3.1
162.93146	1.1
164.03531	1.3
164.07106	3.1
166.05128	1.3
172.04025	1.4
173.04596	7.6
174.05493	2.9
184.90802	1.0
191.05589	12.3
204.06548	6.0
207.01414	1.0
209.11769	8.8
211.05132	1.4
211.08707	1.4
212.05862	8.9
212.09406	1.4
225.06755	2.3
227.12758	1.9
229.09679	1.4
236.09439	1.3
237.10284	7.0
238.07483	2.2
239.08241	7.8
240.08965	3.6
241.09711	1.6
243.11340	2.7
251.08241	1.5
251.11772	2.0
252.10442	1.7
252.12585	6.7
253.06235	7.0
253.09782	8.7
253.13353	1.9
255.11324	5.3
259.10681	1.2
266.06924	4.7
267.07739	14.4
267.11316	6.7
268.08496	7.6
268.11993	7.9
270.09946	1.3
271.10745	2.1
273.12427	3.4
279.07794	2.8
279.11435	1.7
280.08508	10.8
281.09280	20.9
282.09735	2.0
283.10794	2.3
285.08786	3.7
285.12250	1.6
295.10812	30.3
296.11554	22.0
297.09027	2.1
297.12228	11.2
298.09787	1.2
298.12756	1.5
299.10342	8.7
300.02600	1.0
300.11142	3.3
301.11832	3.4
303.13382	6.7
306.08789	1.4
311.10266	1.9
313.11902	4.7
326.71231	1.5
327.13351	5.9
328.14117	1.9
339.09329	5.2
340.10541	4.1
341.11230	3.4
351.07333	2.1
360.03854	1.1
371.12369	6.5
372.13153	4.9
373.13962	9.4
390.14572	4.6
397.13428	13.2
404.16205	2.3
406.13919	1.5
407.14761	1.6
415.14417	4.3
420.15436	2.8
434.13437	2.5
435.17993	2.1
436.18921	1.4
438.16751	1.7
452.17975	1.7
466.16266	4.3
466.92426	1.2
479.16937	1.7
480.17599	2.6
511.19504	16.9
512.19733	5.2
607.26166	3.7
633.25647	23.9
634.26044	3.8
643.23883	7.4
644.25116	1.5
675.26593	100.0
676.26917	23.4
693.16113	2.4
693.27722	49.7
693.39722	2.4
694.28101	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	693.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
59.40207	0.3
61.98830	0.6
67.51105	0.3
69.51649	0.5
69.51974	2.3
70.55505	0.3
71.01377	3.9
71.07885	0.3
72.99307	1.0
73.02952	1.0
75.63990	0.3
80.49212	0.3
83.01374	0.4
85.02947	1.9
87.00912	0.3
89.02443	2.4
89.03973	1.8
93.03468	1.2
96.96008	5.3
99.00874	2.3
101.02446	1.7
108.04546	0.4
111.00913	0.4
111.04526	0.5
113.02441	3.1
116.92841	0.5
117.03458	4.5
119.03532	0.5
131.03485	0.6
132.02141	2.3
133.02977	0.4
133.80356	0.3
134.03731	77.5
135.04028	3.1
136.07664	0.3
137.02434	1.2
139.04048	0.5
147.04669	0.4
149.04602	1.1
149.06065	6.4
152.08398	0.6
153.09210	1.2
154.31442	0.3
155.03546	0.4
157.08659	1.9
160.01643	7.8
161.01988	0.3
161.04553	0.9
173.04503	2.1
175.03989	13.6
176.04343	0.7
178.02681	4.3
191.05623	3.7
192.05963	0.3
193.05037	100.0
194.05399	5.0
199.09796	0.7
205.12318	5.3
209.11740	0.9
210.58748	0.3
227.12991	0.4
300.72116	0.3
385.18762	0.3
475.90091	0.3
489.38055	0.3
499.21851	4.3
500.21912	0.6
517.22809	1.9
518.23834	0.4
560.63983	0.4
589.31885	0.4
693.27441	10.7
694.28156	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	693.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	16.2
69.34795	21.8
71.01380	15.7
83.04994	3.8
85.02959	4.5
87.00861	4.1
89.02427	15.9
93.03445	6.8
96.95982	8.6
101.02417	9.1
113.02429	5.0
125.02377	4.6
173.04532	9.3
191.05620	19.4
209.09827	4.9
209.11818	85.0
210.12283	3.2
227.12883	20.5
235.08112	7.7
271.02469	2.7
274.09259	2.7
300.02649	3.1
397.13504	87.0
398.13641	7.3
415.14490	32.8
416.14932	4.7
431.98706	2.9
607.25891	33.1
608.26459	4.1
625.27850	4.5
634.25726	3.0
693.27356	100.0
694.28162	16.4
717.96448	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	693.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.4
64.34912	0.2
67.01879	0.4
69.02981	0.2
69.03454	0.2
71.01379	1.2
71.01701	0.2
73.02950	0.4
81.03446	0.4
83.05016	0.2
85.02946	6.2
87.00861	1.5
89.02436	0.2
93.03448	4.1
96.96011	2.9
99.04510	0.3
101.02433	0.5
109.02947	0.7
111.04517	1.1
113.02449	0.3
117.03467	0.2
119.05029	0.9
121.02916	0.2
127.04011	1.6
132.08893	0.2
133.02927	0.6
135.04533	1.2
137.02350	0.3
145.02956	1.0
161.02531	0.2
163.04018	1.2
171.03041	0.4
173.04549	2.1
177.01889	0.5
179.03453	0.6
191.05603	100.0
192.05960	3.6
220.04643	0.2
221.55347	0.2
269.08118	0.2
303.09195	0.4
305.10721	0.7
313.07324	0.3
337.09247	23.2
338.09607	2.4
351.07373	0.3
353.08795	0.2
359.07443	0.5
487.12311	0.5
519.25146	0.2
661.25085	0.2
693.17084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.3
70.37368	3.2
71.01374	0.6
78.95896	43.1
80.02687	2.0
81.03457	1.9
83.05018	7.5
84.02151	1.6
95.05024	1.0
96.96935	3.8
100.31248	0.8
101.24446	0.8
104.05427	0.8
109.56028	0.7
141.17809	0.7
152.99582	62.3
163.11276	5.9
165.12820	3.4
165.67937	0.8
171.00618	6.1
173.20325	0.7
181.12309	1.7
191.10773	1.8
194.82182	0.7
209.11810	100.0
210.12143	5.9
214.15413	0.7
225.11353	1.1
227.03284	4.2
227.12820	8.1
228.13223	0.9
234.66328	0.8
245.04305	1.4
253.21666	20.9
254.22089	1.8
255.23270	1.7
277.21808	1.1
305.82233	0.9
363.12115	7.3
364.72189	0.8
414.44427	0.7
437.15775	6.3
455.16794	92.9
456.17181	9.1
483.26611	0.9
691.38171	92.0
692.38525	19.4
692.49835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04603	0.2
57.03447	0.4
59.01374	4.1
60.71984	0.2
61.98819	0.3
67.01917	0.3
71.01381	2.5
71.05033	0.3
71.34176	0.4
72.99304	0.3
73.02930	1.0
80.02663	0.9
81.03445	1.1
83.01357	0.5
83.05016	4.4
84.02137	0.5
85.02950	1.4
86.89376	0.2
87.00859	0.6
88.65994	0.2
89.02441	1.8
93.03431	1.5
94.06621	0.3
95.05022	0.6
96.96004	3.3
97.02951	0.4
99.00861	0.7
101.02445	2.3
106.14166	0.2
109.02945	0.3
111.04517	0.4
113.02437	1.0
117.03425	0.3
117.85509	0.2
119.03510	0.7
119.05027	1.9
122.06120	0.6
125.06067	0.3
125.09724	1.2
127.11292	1.1
135.08136	0.9
136.07715	0.2
137.02399	0.4
137.09729	0.2
143.03462	0.4
145.02878	0.6
155.10802	0.4
161.04567	0.9
163.03979	3.7
163.11279	2.9
164.11534	0.4
165.09184	0.4
165.12808	2.3
166.32652	0.2
171.10220	1.3
173.04559	2.4
173.05890	0.5
179.05618	0.4
181.12335	0.7
184.07890	0.3
190.05080	0.5
191.05595	3.9
191.10773	0.7
199.09778	0.3
201.11307	21.9
202.11687	1.3
209.11810	100.0
210.12129	6.9
213.10385	0.4
225.11385	0.3
227.12874	14.4
228.13176	0.8
235.08156	2.9
241.10039	0.3
247.13405	0.4
253.09276	7.6
254.09607	0.6
271.10818	0.5
281.09354	0.3
285.08792	1.0
301.12015	0.3
365.23364	0.2
375.21631	0.6
393.22791	0.4
419.24142	0.3
437.20038	1.1
445.20657	2.6
446.20889	0.3
467.20935	0.4
473.25351	0.3
496.55643	0.3
499.23462	0.8
507.28134	0.2
529.13263	0.3
597.23383	0.3
611.30585	0.5
637.22699	0.4
637.32367	0.6
641.22577	0.4
655.23926	0.8
655.34070	0.4
659.23395	0.4
673.25330	1.0
691.26764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43972	0.2
55.01866	0.6
57.03440	0.4
58.00581	0.6
59.01377	17.0
69.03449	0.8
70.62981	0.6
71.01378	12.0
72.01698	0.3
72.99291	0.9
73.02946	2.1
75.00858	0.3
78.83369	0.2
81.03454	0.6
83.01378	0.8
85.02945	2.7
86.00112	0.2
87.00875	2.8
89.02438	11.6
89.96597	0.2
91.04024	0.2
93.03463	0.3
95.01382	1.0
95.05002	0.2
97.02955	2.0
99.00861	0.7
101.02440	9.2
102.02797	0.3
111.04537	0.5
111.08118	0.4
111.60133	0.2
113.02441	4.8
113.09677	0.3
119.03497	3.2
121.02955	0.2
125.02448	3.2
131.03499	0.7
134.53375	0.2
139.04004	0.3
143.03487	1.8
149.04549	0.4
161.04541	2.0
167.03456	0.2
173.04510	0.3
179.05576	2.7
179.14355	0.8
181.12338	0.3
191.05573	0.7
195.13889	7.6
196.14539	1.2
205.12305	0.7
205.15973	0.5
211.13420	0.5
221.06664	0.8
223.13370	5.4
224.13814	0.2
225.14775	0.3
228.13509	0.6
231.21182	0.4
235.08189	3.6
245.06435	0.2
249.22179	0.4
253.09299	1.2
256.13138	0.7
262.45404	0.2
263.07629	0.5
265.21774	0.3
275.20129	4.0
276.20358	0.3
287.07693	0.7
293.21194	100.0
294.21509	9.5
305.08734	0.9
323.09634	0.5
397.13455	23.6
398.13815	2.1
415.14526	26.7
416.14929	2.7
654.27234	0.7
691.35150	0.9
692.35669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08292	0.1
71.01396	0.2
71.62962	0.1
71.63335	0.1
79.95729	3.0
96.96001	100.0
97.95934	0.3
135.04521	0.3
173.04520	0.3
191.05598	0.2
208.48259	0.1
211.98947	0.1
227.03429	0.2
255.02954	0.5
284.03238	0.9
285.03784	0.5
550.07764	0.1
593.15051	1.0
637.08600	0.1
673.24884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
66.26672	0.1
69.03429	0.1
71.01366	0.3
71.63246	0.2
79.95735	3.4
85.02927	0.5
87.00836	0.2
89.02493	0.2
93.03453	0.5
96.96004	100.0
97.95937	0.3
99.00922	0.2
101.02448	0.3
109.02943	0.2
111.04522	0.2
115.11071	0.1
127.04040	0.1
133.02940	0.2
134.03786	0.1
135.04521	0.4
137.02408	0.1
137.71109	0.1
151.00240	0.1
161.02449	1.7
162.02916	0.1
173.04561	0.5
175.04015	0.3
179.03467	0.4
191.05591	5.5
192.05901	0.2
196.48155	0.1
227.03525	0.1
255.02948	0.4
284.03284	0.5
285.04001	0.6
295.10938	0.2
301.11893	0.1
319.13254	0.1
499.12497	1.4
500.12927	0.2
593.15234	0.9
632.92731	0.1
641.21875	0.2
659.23438	0.2
691.17798	0.8
691.29083	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	689.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	17.4
61.98833	64.5
71.01356	8.4
71.63362	8.3
71.63764	9.6
78.95853	12.4
82.47363	7.7
100.76602	9.2
100.97803	7.6
118.90041	8.2
125.02453	9.6
152.28194	7.6
159.98657	7.6
166.21469	7.9
169.71988	8.2
191.05531	12.2
209.11720	10.9
211.29077	8.5
214.40123	8.1
226.58192	7.5
242.32829	7.4
255.23198	41.0
340.81479	8.8
397.13452	100.0
398.13800	9.3
415.14349	29.2
474.13297	7.7
547.64508	8.3
653.37244	17.6
689.35321	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	689.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90538	3.8
57.29613	3.8
59.01378	25.4
61.98824	25.2
63.26126	3.1
66.50727	3.8
70.11768	14.7
71.01377	16.3
73.03709	3.6
74.81481	3.2
77.79375	3.4
78.95905	45.5
85.02879	3.6
87.00865	3.9
89.02447	17.1
93.66195	3.1
96.96008	29.9
96.96942	6.1
98.19921	4.4
101.02425	12.2
111.53883	3.3
113.02436	4.6
119.03495	5.3
121.99795	3.6
125.02405	5.2
151.29610	3.2
152.99573	31.0
156.93370	3.5
179.05476	4.0
209.11732	19.1
235.08138	8.4
238.38593	3.4
253.09358	4.3
255.23335	32.8
256.23657	4.8
257.17270	3.2
267.20682	3.4
293.21213	26.4
294.21417	4.2
327.12292	3.8
397.13437	85.8
398.13620	11.5
415.14575	23.1
427.27060	4.2
429.20486	13.6
447.21661	4.4
653.37463	13.0
657.33838	21.4
658.33173	4.5
689.35211	100.0
690.35657	22.7
705.39813	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	689.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03442	2.0
57.07540	0.4
58.00588	0.9
59.01375	22.3
61.98814	1.6
69.03450	1.2
69.82243	1.7
71.01379	20.3
71.05012	0.8
72.99300	1.5
73.02940	2.7
75.00879	0.5
78.95901	1.0
79.95740	0.5
80.96511	2.9
81.03442	1.0
83.01380	2.2
83.05019	1.3
83.34935	0.5
85.02934	3.7
86.35232	0.4
87.00883	3.6
89.02438	15.0
91.49867	0.4
93.03455	1.0
94.98099	0.7
95.01371	1.7
95.04990	0.8
96.96020	1.9
97.02962	2.8
98.20628	0.5
99.00858	1.5
101.02435	15.3
104.59693	0.4
109.02973	0.5
109.06538	1.1
111.08147	8.3
113.02438	7.1
119.03493	4.7
120.88857	0.4
125.02436	5.1
127.04021	0.4
131.03499	1.0
137.09682	1.0
141.01759	0.8
143.03499	2.8
149.04608	0.5
149.09711	0.5
161.04552	2.7
163.11214	0.7
167.10722	2.0
171.10167	2.3
173.04552	1.2
177.12843	2.4
179.05608	2.8
179.10733	1.8
185.04498	0.6
185.11794	0.5
191.05577	1.5
195.13866	6.3
197.11827	1.1
201.11288	0.7
203.14305	0.4
207.10258	1.3
209.11821	6.1
210.12187	0.5
211.13422	1.0
221.06598	1.4
225.00697	1.2
225.11298	1.7
227.12868	1.3
235.08159	5.0
247.20631	3.3
253.09293	1.7
263.07755	1.2
273.18530	1.0
287.07813	1.0
291.19623	100.0
292.19952	9.2
299.04459	0.6
305.08676	1.5
323.09799	0.8
379.12067	0.5
387.35971	0.5
397.13443	46.4
398.13870	3.6
415.14505	25.4
416.14700	2.4
607.24152	5.4
608.24658	1.0
629.37000	1.3
647.37885	0.6
689.33252	5.4
690.33923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.30731	0.6
56.00277	0.6
57.03435	2.0
57.36225	0.6
58.00585	0.6
59.01084	1.0
59.01371	13.6
61.98809	1.6
67.01902	0.9
68.99809	0.7
69.03435	1.3
69.96041	2.9
71.01375	49.4
71.05029	1.0
72.99317	1.0
73.02942	5.4
78.95875	1.0
80.02676	0.9
81.03446	2.4
83.01389	1.8
83.05015	6.9
84.02168	1.2
85.02947	3.8
87.00867	2.7
89.02414	3.7
93.03442	3.1
95.01423	1.0
95.05015	2.0
96.95998	11.3
97.02941	2.3
97.06573	1.2
99.00871	3.7
101.02435	6.3
109.02952	0.8
109.06571	6.7
111.04509	0.9
113.02437	5.3
119.03501	1.2
123.08123	0.7
125.02402	1.2
125.06046	1.0
125.09703	3.3
127.11277	1.6
135.04517	1.7
135.08139	1.6
139.07611	0.7
143.03461	1.3
151.00275	0.8
151.11299	1.1
161.04572	2.3
161.09610	1.0
163.11276	9.0
165.12819	2.4
169.12302	0.9
171.10255	26.2
172.10669	1.5
173.04533	3.9
178.99867	1.1
179.05537	0.7
179.10805	0.8
181.12335	4.4
183.10384	0.8
183.13815	1.4
185.11789	2.8
189.09148	0.8
191.05620	6.5
191.10744	1.0
197.11819	4.0
199.09671	1.0
199.13365	3.2
201.11282	14.9
207.10236	22.2
208.10559	1.0
209.11804	100.0
210.12154	5.8
211.13342	0.9
215.12862	2.0
221.11725	0.9
225.11288	31.6
226.11647	2.3
227.12880	11.6
228.13138	0.7
231.10347	0.8
235.08185	4.3
238.30838	0.6
243.12270	3.5
251.12852	1.7
253.09285	9.0
263.12909	0.7
291.19553	2.4
352.03900	0.6
354.96844	0.7
397.13446	1.8
399.21851	1.5
415.14716	0.8
417.22876	1.7
443.18979	1.3
461.20279	6.7
462.20450	1.0
479.21356	1.0
501.87848	0.7
516.68176	0.6
603.33832	0.8
635.31360	0.9
645.36682	5.1
653.32086	3.6
657.21655	0.8
657.31726	0.9
671.32806	3.5
672.33252	1.2
689.33856	16.8
690.34460	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	689.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.7
59.18692	1.8
68.99801	5.0
69.53295	14.7
71.01370	4.8
75.46487	1.8
85.02943	3.1
93.03432	6.4
94.06602	25.3
96.04555	12.4
96.95997	37.0
98.95580	4.8
106.06615	7.8
108.04518	6.3
116.05032	2.4
118.06606	2.7
120.99586	2.0
121.05314	5.8
122.02425	3.8
122.06096	8.3
124.04034	48.2
124.07666	17.0
130.02979	2.6
132.04546	5.3
134.06087	6.9
136.04033	4.1
136.07671	43.7
136.08717	2.4
137.08015	2.6
138.65453	1.9
141.09358	1.8
141.65479	1.8
148.04022	11.2
148.07663	2.7
158.02467	21.4
160.03998	8.5
162.05522	3.2
164.07130	7.3
166.07324	4.4
166.08717	75.7
173.04572	3.0
174.05602	2.7
176.03508	3.2
190.05078	91.6
191.05574	18.3
192.06589	8.9
194.08150	9.2
202.05067	2.7
206.08211	2.0
215.08389	1.9
215.11852	8.1
223.08859	3.4
235.08719	2.2
237.10236	6.1
239.62544	2.0
241.09787	4.1
243.11292	2.3
248.09338	2.5
249.10254	4.7
251.11818	2.4
255.11362	2.5
263.08112	2.6
265.09836	7.1
267.11343	6.6
273.12381	5.0
276.09137	1.9
277.09787	19.2
278.10226	2.3
281.09366	4.7
283.10828	4.3
291.07593	2.0
295.10846	6.5
297.12473	12.3
298.13074	3.0
299.13925	2.4
307.10840	4.6
309.12381	8.5
310.12595	2.3
311.14008	2.2
323.10312	3.4
324.10724	3.3
327.13492	30.7
328.14026	7.6
329.14981	3.8
330.16089	3.1
337.11862	3.4
339.13467	23.0
340.14023	2.6
369.14432	25.6
374.14935	4.9
397.13925	50.1
398.14569	6.9
404.16800	2.2
414.18164	6.7
415.18765	4.4
424.19141	2.2
444.15533	5.5
446.20700	8.1
469.22385	7.3
470.22980	2.3
476.18198	9.2
488.21933	28.6
489.22110	5.4
494.19452	4.2
508.24139	3.8
511.23337	12.9
512.23926	3.3
536.24109	2.9
543.26263	21.7
544.26447	3.3
552.23724	15.4
563.23138	4.5
580.22589	5.4
581.24023	16.9
595.25549	21.5
596.25684	2.4
613.26624	100.0
614.27130	20.3
625.22388	2.4
627.28827	4.0
645.29211	40.9
646.29663	10.4
657.25629	4.8
671.27454	2.7
689.28247	72.4
690.28748	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	689.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98029	1.2
59.01376	8.3
60.41071	1.1
61.18027	1.1
61.98819	1.3
68.99807	6.3
71.01366	2.5
71.63543	1.6
72.99297	1.6
78.95892	2.7
80.05040	1.4
85.02913	2.3
93.03440	4.4
94.02982	1.5
94.06620	26.1
96.04550	15.7
96.96008	36.5
98.95576	8.9
98.96429	1.8
99.00845	1.7
101.02454	1.9
104.05074	1.2
106.06609	7.7
108.04553	4.3
114.33702	1.1
116.92850	3.4
118.06596	2.1
120.04521	2.3
120.99612	3.4
121.05335	8.4
122.02466	3.4
122.06132	11.6
124.04036	54.4
124.07671	20.3
125.04370	1.4
130.02951	5.1
132.04549	5.9
133.53618	1.2
134.06113	4.5
135.06830	1.2
136.04031	4.2
136.07672	40.9
137.07991	1.6
138.05606	1.5
145.08667	1.3
146.06171	1.2
148.04044	11.0
148.07664	3.3
150.09212	2.5
153.04306	3.5
157.24171	1.1
158.02467	23.8
160.04056	10.0
161.04651	1.6
162.05556	3.6
164.07161	9.5
166.08720	78.0
167.09052	3.7
173.04489	6.3
174.05586	4.6
176.03520	4.1
176.07173	2.0
190.05095	91.9
191.05551	18.7
192.06718	12.4
194.08217	10.6
202.04976	2.4
204.06581	3.3
205.07358	1.4
206.08235	2.2
209.11829	2.7
213.10294	3.7
215.11850	8.0
221.10941	1.4
223.08791	2.6
225.10362	1.4
229.13466	1.5
232.11903	1.3
237.10329	7.1
239.11836	3.5
241.09810	4.5
243.11203	2.0
248.09491	2.8
249.06639	1.4
249.10287	5.7
251.11870	1.9
253.09692	2.4
255.11398	2.7
256.12033	1.7
261.10419	1.4
262.07291	1.6
263.08078	1.6
265.09763	7.2
266.10202	1.3
267.07724	2.9
267.11398	4.2
273.12408	5.7
276.09058	1.5
277.09790	19.0
278.10364	3.0
279.07645	1.4
279.11356	3.6
281.09250	4.9
282.09991	1.6
283.10837	4.4
285.12469	3.3
287.10391	1.9
289.09607	1.9
290.10596	1.5
291.11380	2.5
293.09317	1.6
295.10803	7.7
296.11533	1.8
297.12418	12.2
298.13034	1.9
299.13666	1.8
306.16290	1.4
307.10776	4.9
309.12360	10.3
310.12976	1.8
311.14154	2.4
313.11719	2.3
323.10303	6.0
324.11032	1.4
325.11960	1.8
327.13440	35.5
328.14124	7.6
329.14868	2.5
330.16104	5.1
332.14032	1.7
337.11938	2.8
339.13449	20.0
340.14001	3.2
348.64426	1.4
351.13312	1.7
365.11490	2.9
367.13052	3.3
369.14520	29.8
370.14902	4.5
374.14786	6.4
374.19153	2.2
397.13989	46.4
398.14502	8.3
399.15433	3.1
404.16919	1.5
414.18222	5.0
415.18774	3.7
430.13358	1.7
442.17673	2.6
443.24432	3.5
444.15686	3.0
446.20688	7.8
447.21588	1.8
456.19208	2.3
469.22357	7.0
470.23065	3.2
476.17996	7.1
477.18225	2.1
488.22000	28.9
489.22067	5.1
490.18546	1.6
494.19388	4.0
508.24368	3.8
511.23386	15.2
512.23999	1.9
516.21661	2.7
520.20703	2.0
536.23950	2.3
543.26160	23.8
544.26282	5.4
552.23401	14.9
553.23950	2.6
563.22839	3.0
580.23041	6.4
581.23981	15.3
582.24567	5.1
595.25586	21.5
596.25787	5.1
613.26605	100.0
614.26862	18.8
625.22705	3.3
627.28253	4.1
628.28851	1.5
639.24005	2.6
645.29242	39.8
646.29254	9.6
657.25494	5.9
658.26379	1.7
671.26886	5.2
689.28168	76.1
690.28534	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	689.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03428	0.9
58.00588	0.8
59.01376	14.9
60.22419	0.7
61.98806	2.9
63.02398	0.8
63.48410	0.7
69.03425	0.9
69.51022	5.2
71.01376	11.6
73.34461	0.7
78.17284	0.8
78.38026	0.8
78.63876	0.7
79.95699	0.9
81.03458	1.7
83.01359	1.7
83.05013	3.1
85.02956	5.4
87.00873	1.8
89.02445	5.4
93.03452	6.5
95.05009	0.7
96.96004	31.9
97.02933	2.1
97.06597	1.0
98.95557	1.1
99.00867	5.9
101.02452	4.3
107.01371	1.8
109.02962	1.7
109.06586	7.7
110.35841	0.7
111.04493	0.9
113.02476	4.7
119.03462	1.2
123.08163	1.0
124.01685	0.7
125.02396	1.7
125.09710	2.3
127.11271	1.9
135.00868	1.1
135.04495	1.6
135.08118	1.3
135.98398	0.9
137.02419	1.6
143.52356	0.9
151.00331	3.0
155.03561	1.0
159.04555	1.1
161.04535	1.6
163.00334	1.8
163.11285	6.5
164.11754	0.8
165.12775	1.6
171.10265	12.9
173.04549	6.8
178.99809	1.5
181.05092	1.4
181.12323	4.5
183.04488	1.2
185.06085	1.0
185.11731	1.3
187.03914	1.1
191.05603	18.6
192.05901	1.8
197.11841	1.2
199.09692	3.1
199.13358	1.7
201.11285	12.7
207.10248	23.3
208.10527	0.9
209.11813	48.8
210.12135	3.0
211.03973	2.1
225.11310	20.9
227.03474	64.6
227.12871	7.4
228.03839	4.4
229.05008	4.7
234.37352	0.8
235.08214	2.2
239.03423	1.4
243.12256	2.5
251.08131	1.1
251.12900	1.1
253.09232	6.2
255.02960	90.7
256.03513	11.4
257.04471	2.7
267.11328	1.3
284.03238	83.2
285.03983	68.1
286.04303	4.3
291.19623	2.2
293.09152	1.1
311.10156	1.0
327.05023	1.4
355.09216	1.3
397.13367	1.1
399.21976	0.9
443.19168	1.2
445.20258	0.9
461.20389	3.9
595.21344	0.8
609.29285	1.7
627.29993	2.7
629.35913	1.3
635.30981	3.7
639.20563	1.3
645.30713	6.5
646.31384	1.3
647.36658	1.2
653.32007	4.4
654.31763	1.0
657.21826	100.0
658.22241	17.7
671.22906	1.1
671.32843	6.9
689.24249	14.1
689.34259	8.8
690.24774	1.6
690.35303	1.2
696.76953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20741	0.3
54.44038	0.4
57.03431	1.0
59.01090	0.8
59.01375	13.3
60.99282	1.3
67.01884	3.5
69.03453	1.2
71.01380	3.0
71.62958	0.7
73.02927	0.6
78.95900	0.5
79.95747	0.6
81.03454	0.8
83.05015	1.1
85.02945	5.2
87.00874	6.3
93.03449	29.0
94.03794	0.9
96.96008	2.8
99.00851	0.7
99.04484	0.5
101.02425	1.9
109.02924	0.5
111.00919	0.5
111.04503	4.3
113.02470	0.9
117.03474	1.1
127.04026	1.2
129.01932	1.0
134.03734	10.0
137.02415	1.0
149.06006	0.7
151.00365	0.7
155.03479	1.0
173.04530	18.4
174.04832	0.6
175.03970	0.6
191.05595	100.0
192.05972	3.5
193.05031	6.1
198.27406	0.4
209.11794	0.5
235.11902	2.5
271.02625	0.4
272.09879	0.4
277.12869	1.3
301.03339	0.9
303.09198	1.4
323.05511	0.6
354.09457	0.5
367.10281	35.0
368.10709	3.5
497.10492	0.5
553.86035	0.4
689.10675	1.5
689.32782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.9
59.01374	69.7
60.01718	0.9
61.98821	3.0
63.27914	0.8
71.01378	21.7
72.01724	1.2
72.99292	1.4
73.02947	10.8
78.95181	0.7
78.95905	1.1
83.01369	3.0
85.02940	6.6
87.00852	1.8
89.02435	7.3
93.03446	2.8
95.01390	1.6
96.96003	6.6
98.19844	1.7
101.02440	11.7
113.02428	6.8
114.09268	1.0
115.07627	2.5
119.03505	2.0
125.02445	1.1
125.09677	0.9
147.39191	0.8
151.00404	1.4
156.10309	2.4
158.11856	6.4
161.04509	2.1
163.11299	2.0
165.12781	1.7
171.10223	3.4
173.04546	3.9
178.99736	1.3
183.13907	3.9
185.11850	1.3
191.05598	6.5
197.11780	2.6
207.10190	3.7
209.11810	14.6
210.09854	0.8
210.12129	3.0
223.09749	1.8
223.13499	1.0
225.11261	3.7
227.12775	2.4
228.16000	2.3
253.09210	1.5
291.19647	1.4
302.16144	1.2
320.17126	1.6
401.04218	1.0
584.33636	1.1
602.34985	1.9
626.35071	2.4
644.36462	100.0
645.36670	20.7
657.31543	1.0
670.31189	1.0
688.22131	1.1
688.33099	2.0
689.26843	1.0
704.49823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03427	2.0
58.00576	1.8
59.01377	37.7
59.96437	0.6
60.13959	0.7
61.98814	2.4
69.03441	1.1
69.97731	3.1
71.01379	36.5
71.05009	1.6
72.99284	1.8
73.02946	10.6
81.03452	1.5
83.01382	3.6
83.05005	4.0
84.02144	1.1
85.02943	7.8
85.06625	0.7
86.68887	0.6
87.00856	4.5
89.02458	7.7
93.03452	2.1
95.01367	2.2
95.05016	1.2
96.95995	6.4
97.02929	2.5
97.06558	0.9
98.20527	1.0
99.00863	2.8
101.02438	16.8
107.05046	0.7
109.06599	4.0
111.00870	0.7
111.04483	1.2
111.08096	1.9
113.02441	8.1
115.07648	1.0
117.63334	0.6
119.03490	2.7
124.86215	0.7
125.02480	1.3
125.09740	1.2
125.15507	0.6
126.07389	0.6
127.11265	1.1
135.04495	2.8
135.08115	1.0
137.02441	1.0
143.03516	1.2
151.00308	0.6
151.11288	0.8
156.10255	1.2
158.11768	3.0
161.04541	2.6
163.11250	4.5
165.12827	6.9
171.10243	12.6
171.46533	0.7
173.04520	3.8
178.99799	0.8
179.03493	0.8
181.12321	1.6
183.13860	2.2
191.05597	11.0
194.15451	1.2
197.11781	2.5
199.13397	1.1
201.11327	6.8
207.10248	9.8
208.10493	0.9
209.11812	44.5
210.12103	1.8
211.13263	0.8
224.16524	0.8
225.11285	11.4
227.12869	16.2
228.12537	2.4
235.08199	1.1
237.22102	1.2
239.16580	0.8
241.10742	0.7
243.12248	1.1
245.13913	1.0
253.09258	4.5
270.17087	5.6
281.17792	1.1
281.21219	2.8
288.18182	3.8
289.18314	1.0
291.19427	0.9
324.21909	0.9
422.29056	0.6
432.22308	3.1
443.19284	0.9
450.23248	4.8
451.23651	0.8
461.20221	2.0
492.24182	2.0
546.28876	1.2
584.34296	2.8
602.35364	2.5
603.35260	1.3
628.37622	1.6
644.36450	100.0
645.36792	20.8
653.32538	1.0
671.33093	0.8
688.32697	6.4
689.33942	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	688.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03440	0.8
59.01374	71.9
60.01702	0.8
61.98811	1.9
69.46629	4.5
71.01378	19.0
72.99277	0.9
73.02939	8.9
78.95905	0.9
83.01363	2.8
83.05025	0.9
85.02934	6.5
87.00874	1.7
89.02435	6.7
93.03448	2.0
95.01369	1.1
96.95988	3.2
97.02950	0.7
97.17458	0.6
99.00864	1.4
101.02440	10.2
109.06569	1.1
111.04517	0.9
113.02428	6.5
114.09207	1.4
115.07632	3.0
119.03476	2.8
125.02400	0.9
137.02385	0.8
141.01674	0.9
143.03442	0.8
151.00351	0.9
155.03525	1.1
156.10265	2.4
158.11855	6.1
161.04544	2.2
163.11299	1.1
165.12820	1.7
169.12280	0.7
169.96179	0.5
171.10252	3.8
172.10548	1.2
173.04535	2.5
178.99789	1.1
183.13847	4.4
185.11815	1.6
190.06740	0.7
191.05595	4.4
194.15501	1.2
197.11800	1.9
201.11307	2.0
207.10225	2.3
209.11813	11.0
210.12114	2.3
211.13457	0.7
223.09698	0.8
225.11331	3.0
227.12819	2.0
228.16040	1.3
237.22168	1.9
239.20035	0.6
253.09143	1.2
273.64032	0.6
302.15958	1.1
320.17130	2.0
524.32397	1.2
546.29340	1.2
584.33960	1.2
602.35010	1.7
624.78888	0.6
626.35406	3.7
644.36438	100.0
645.36786	19.1
670.31512	1.0
681.82007	0.8
688.22565	1.4
688.32556	2.0
689.34015	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	688.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03438	1.8
58.00581	0.8
59.01374	40.0
61.98818	1.0
69.03445	1.1
69.33141	2.0
69.33562	2.8
71.00985	1.1
71.01376	22.6
71.05003	1.3
72.99283	1.1
73.02942	13.4
83.01375	4.0
83.04987	1.4
85.02934	5.5
87.00860	2.5
89.02435	7.6
93.03436	2.0
95.01357	1.4
96.96004	12.9
97.02937	0.7
97.06567	1.8
97.91898	0.5
99.00887	1.8
99.04533	0.5
99.08182	0.7
101.02437	14.1
107.11899	0.5
109.06581	1.5
111.08155	1.0
113.02428	8.8
114.09219	1.0
115.07661	2.6
119.03454	1.9
125.02412	1.1
131.03493	1.0
135.04515	1.2
140.10811	0.6
143.03497	0.9
144.56427	0.6
155.03436	0.6
156.10292	2.8
158.11874	7.7
163.11276	1.3
165.12840	4.6
171.10266	3.7
172.10547	0.7
173.04544	2.7
181.12337	1.0
182.12639	0.6
183.13867	1.9
191.05592	7.7
197.11806	1.2
198.12125	0.6
199.13365	1.0
201.11281	1.5
207.10173	2.8
208.10590	1.1
209.11816	10.3
210.12160	1.8
221.62167	0.5
225.11316	3.7
226.11664	1.1
227.12869	9.5
237.18500	0.9
237.22177	1.2
239.16542	2.1
243.12338	1.2
253.09265	0.9
257.17532	0.6
281.17560	3.6
281.21143	2.7
302.16238	0.7
320.17108	1.3
324.21609	1.7
440.29886	0.7
546.29260	1.2
584.34399	0.9
602.35419	3.8
603.35522	0.7
644.36450	100.0
645.36841	19.0
647.36572	0.8
670.31323	1.1
671.32587	0.6
688.32281	6.5
689.33667	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	687.3953
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
51.04290	0.3
57.03418	0.4
59.01375	4.2
69.40958	1.0
69.41384	1.7
71.01389	1.8
73.02916	0.4
85.02934	1.5
87.00861	0.7
87.04519	0.4
89.02435	1.2
96.96008	2.8
98.95573	0.8
101.02434	1.2
104.77794	0.3
113.02447	0.9
116.30917	0.4
116.92840	0.6
118.76982	0.3
120.99687	0.4
123.08140	0.7
128.94507	0.3
135.08153	0.7
136.05284	0.4
137.09694	0.7
149.06065	3.5
150.06847	33.5
151.07199	1.2
153.09164	0.5
161.09702	0.7
162.06879	0.6
163.07626	8.1
164.08401	7.6
165.08850	0.4
171.61827	0.3
176.08394	0.7
177.09142	1.1
178.09984	2.7
179.05560	0.6
179.10762	17.9
180.11084	1.2
191.05598	0.8
193.08553	0.4
231.11732	0.4
279.78720	0.3
343.24896	1.3
345.22751	4.4
416.12662	0.4
446.30499	0.6
456.52515	0.4
461.32504	0.7
462.32990	0.5
464.31458	5.4
464.37775	0.6
465.32037	0.7
478.32932	0.7
479.33655	8.1
480.33911	1.1
499.98187	0.4
506.32449	1.1
507.33047	2.5
524.33710	2.6
525.34265	23.5
526.34607	4.4
583.30841	0.5
601.32166	0.8
609.12604	0.3
684.22791	0.3
687.39490	100.0
688.39819	21.8
688.52069	0.4
688.57684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21390	0.3
57.03429	0.5
59.01369	1.5
70.63425	1.1
71.01374	1.2
75.04683	0.3
79.50910	0.4
83.64080	0.4
85.02934	2.9
87.00872	1.1
87.04475	0.5
91.03158	0.4
93.25797	0.4
96.95982	1.1
101.02443	0.5
113.02418	0.6
120.99634	0.6
123.08109	0.5
127.00945	0.4
127.11276	0.4
130.41385	0.3
135.08156	1.0
136.05298	0.6
137.09702	1.1
143.10800	0.4
148.05249	0.6
149.06036	2.3
149.09692	0.7
150.06862	19.5
151.07306	0.8
155.10732	0.6
160.83591	0.4
162.06815	0.5
163.07643	12.2
164.08418	4.4
171.10249	0.6
173.04564	0.6
176.08397	0.6
177.09071	0.9
178.09987	0.8
179.10757	11.1
180.11095	0.6
191.05568	1.4
201.11263	0.6
209.11760	0.6
255.10716	0.4
301.20206	0.9
304.34354	0.4
343.24759	2.8
345.22784	3.1
346.23602	0.4
350.20923	0.8
461.32413	0.6
464.31201	2.2
467.82333	0.4
478.32800	3.5
479.33655	5.3
480.33960	0.9
506.32474	4.9
507.32968	2.0
524.33398	8.9
525.34253	22.4
526.34583	2.9
611.25433	0.5
687.39539	100.0
688.39929	19.8
688.52057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03426	2.8
57.20134	1.4
57.78238	1.4
59.01090	1.9
59.01373	28.0
61.98811	4.8
68.68403	1.2
69.03434	4.0
70.60123	1.3
71.01381	18.8
71.05021	1.9
71.62870	2.1
72.99288	1.7
73.02935	5.6
77.42999	1.3
79.96603	1.2
80.02676	1.9
81.03442	2.1
82.94626	1.4
83.01362	1.9
83.05002	5.1
84.40833	1.3
85.02961	6.7
85.03378	1.3
87.00853	4.0
88.26443	1.3
89.02078	1.0
89.02452	9.7
93.03433	5.6
96.95999	10.8
97.02959	2.8
97.06596	1.6
98.95554	1.3
99.00864	4.5
101.02431	9.8
109.06567	5.1
111.04497	3.4
113.02414	5.7
115.99568	1.3
119.03500	2.0
121.02967	1.4
123.08136	2.0
124.01665	1.4
125.02462	3.1
125.09713	4.3
131.03557	1.4
135.04509	1.8
135.08144	2.1
140.37592	1.3
151.00322	6.2
151.11240	2.3
153.12811	1.8
161.04526	1.6
161.09680	3.8
163.11298	4.7
165.12755	1.3
171.10249	16.2
173.04544	6.5
178.99796	1.9
179.05634	1.3
179.10707	7.4
181.12265	4.2
191.05617	15.9
197.11812	58.2
198.12117	4.1
199.09697	2.2
199.13376	2.3
201.11266	2.9
205.08653	1.9
207.10233	14.9
209.11818	50.4
210.12085	3.4
213.11162	1.7
223.09676	6.9
225.11269	14.2
227.12891	4.1
241.10817	4.2
243.12387	2.3
253.09360	8.3
267.11340	1.6
279.07596	1.7
295.10797	3.2
321.08655	2.4
382.28220	1.4
429.08670	1.5
443.18954	1.6
450.06720	1.5
459.18484	2.3
461.20496	2.7
507.16562	1.7
583.32068	2.7
611.21448	2.5
615.30212	2.7
622.73358	1.8
625.01727	1.7
644.36804	7.2
645.33789	1.6
649.14911	2.0
651.30176	1.8
655.20551	7.2
669.31384	7.6
687.32172	100.0
688.32666	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	687.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01371	15.5
61.98817	4.1
68.99810	3.8
69.03447	2.1
70.77271	1.7
70.77608	2.0
71.01386	15.4
72.99315	2.1
73.02949	2.7
80.84441	1.1
81.03445	3.2
83.01383	2.7
83.05020	8.5
84.05350	1.2
85.02945	4.5
87.00871	3.0
89.02454	3.9
89.94853	1.2
93.03480	2.0
94.42452	1.0
94.72390	1.0
95.01411	1.1
95.05002	2.5
96.95980	5.8
97.02925	2.8
97.06612	2.1
97.47784	1.1
99.00871	1.7
101.02450	7.0
108.02147	1.1
109.02933	1.2
109.06596	3.4
110.03712	2.3
111.04532	8.4
113.02439	5.0
119.03504	1.2
123.04496	2.1
123.08168	2.2
125.02486	1.2
125.09725	4.0
127.04028	1.8
135.08199	2.4
137.09642	1.4
139.03969	3.4
151.00343	2.4
151.11224	2.3
153.09265	2.3
161.04562	2.7
161.09717	3.8
163.11247	7.0
165.12831	3.5
169.51443	1.1
171.10260	39.8
173.04565	2.0
177.09177	3.2
179.10760	7.4
185.11836	3.4
187.09692	1.6
191.05597	3.4
191.10809	1.3
197.11798	4.7
201.11305	1.5
205.08658	11.9
207.10274	7.9
208.10660	1.2
209.11816	100.0
210.10356	1.4
210.12137	8.2
213.11325	4.8
219.10031	1.1
223.09743	29.4
223.13388	3.7
224.10036	1.8
225.11307	9.3
227.12903	18.8
235.08179	3.9
241.10765	3.4
241.14536	1.2
244.74110	1.2
253.09291	9.5
258.40817	1.1
299.01920	1.1
407.18961	1.6
415.21240	2.1
441.17612	1.7
459.18860	6.2
477.19757	1.7
625.29443	1.4
643.29388	1.7
645.58386	1.4
651.30194	6.8
669.31055	7.6
670.31415	1.5
687.22473	3.0
687.32159	25.9
688.32336	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	687.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72082	1.3
50.96999	1.3
54.46381	1.3
55.01882	2.0
57.03463	1.5
58.00583	2.2
59.01378	77.7
61.98822	5.8
69.03437	1.8
71.01378	48.3
71.62969	1.7
71.63406	2.8
72.99306	3.9
73.02941	35.0
73.03342	2.5
74.03216	1.3
75.19965	1.4
78.32426	1.3
79.95719	3.5
81.03447	2.2
83.01382	4.3
85.02950	13.3
87.00882	4.4
87.04514	5.2
89.02435	41.8
91.28922	1.3
93.03445	3.4
95.01374	2.8
96.96001	87.7
97.02923	1.7
98.95602	3.4
99.00873	100.0
99.04536	1.8
100.01204	1.9
101.02439	22.4
101.83419	1.4
113.02440	26.6
119.03504	7.2
125.02431	5.9
127.03973	3.2
131.03479	16.6
143.03473	4.9
149.04541	62.1
155.03503	5.1
161.04559	8.0
168.07880	20.6
173.04524	4.4
191.05598	59.4
192.05937	1.4
192.82661	1.3
193.05055	1.8
201.09247	3.9
203.05589	24.6
233.06674	14.6
233.65762	1.5
271.16965	3.9
293.08545	1.9
324.68991	1.5
335.09824	5.0
353.10916	1.9
407.04077	1.4
415.47330	1.8
429.66330	1.6
433.21906	1.8
434.23370	1.6
451.23126	2.5
461.18246	1.7
475.21738	2.7
493.24490	5.4
555.23950	1.7
565.26727	6.1
583.27283	15.8
584.27576	3.1
601.28387	3.6
613.28314	1.9
625.28644	76.6
626.28949	11.0
643.29529	16.7
644.30048	2.6
687.29669	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	2.1
59.01373	48.5
61.01830	1.6
61.98800	4.9
64.74512	1.5
67.55436	1.5
68.99783	1.7
69.03426	2.3
71.01376	34.5
71.63253	2.0
72.99258	2.6
73.02941	8.8
75.00812	1.8
76.74376	1.8
81.03415	2.4
82.85548	1.8
83.01352	5.7
83.04976	2.7
85.02932	11.9
87.00822	5.0
89.02005	1.5
89.02438	19.3
93.03419	3.7
94.06578	5.2
95.01347	2.3
96.04503	2.6
96.96007	28.5
97.02911	2.5
97.06528	1.8
101.01868	1.6
101.02439	18.7
108.04437	2.0
109.02955	2.3
109.06537	5.9
111.04464	3.8
113.02451	15.1
119.03423	7.3
120.99648	10.6
122.06084	2.9
123.04483	3.2
123.08096	3.0
124.04017	9.6
125.05994	2.2
125.09706	2.1
131.27089	1.6
135.04434	2.4
136.07605	7.3
137.02307	2.8
143.03409	4.1
147.08009	1.6
148.03949	2.9
149.04367	2.1
151.07533	1.8
152.04750	1.8
161.02388	1.9
161.04448	5.4
161.09671	2.9
163.11195	7.6
164.06987	2.7
166.08641	7.1
167.07103	9.0
169.12262	2.0
171.10263	23.4
173.04536	14.0
179.05504	6.3
191.05586	22.1
197.11678	7.2
201.11128	2.1
205.08556	2.2
207.10278	14.3
209.11827	26.7
221.06561	1.8
223.09570	6.3
225.11302	15.2
227.12906	4.4
235.08200	4.2
241.09912	3.1
250.07315	2.4
253.09155	6.9
263.08160	3.9
265.09637	5.5
267.11328	2.4
277.09677	4.1
278.07004	2.4
278.10245	2.8
279.07623	2.9
291.07516	2.8
292.08008	1.9
293.09280	19.3
294.09726	3.4
295.10782	2.1
305.09088	3.1
306.10007	2.6
307.10596	3.6
309.12292	2.8
321.08636	1.8
356.13974	1.8
370.11331	1.7
370.15463	2.9
372.13223	2.9
384.13077	5.9
385.13824	2.3
398.14923	4.3
399.15601	3.8
426.14276	2.1
429.16504	4.8
444.19006	3.3
452.15588	3.1
461.20065	3.8
471.17990	9.0
472.18250	2.2
473.16138	11.0
474.16473	2.1
482.16940	2.6
486.20120	2.8
488.18698	1.9
500.57922	1.9
509.21570	2.9
515.16754	6.0
530.18945	4.3
531.19476	2.8
549.20190	2.3
558.18884	8.7
561.21472	3.3
562.21436	6.6
579.21942	7.1
583.30768	4.7
585.23169	2.6
590.20789	7.6
593.22815	2.2
601.31885	5.7
611.24060	6.5
615.29541	4.7
623.20801	3.7
637.23236	14.5
651.29303	3.8
655.24115	52.7
656.24457	13.2
669.24231	3.0
687.26080	100.0
688.26434	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	687.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
71.01382	0.4
73.02936	0.2
78.92397	0.1
78.95892	0.2
79.95729	3.3
80.04008	0.1
85.02936	0.1
89.02436	0.2
93.03397	0.1
96.95999	100.0
97.95964	0.3
98.20563	0.1
99.00880	0.5
101.02436	0.2
113.02479	0.2
114.93370	0.1
131.03499	0.1
149.04547	0.2
161.04536	0.1
191.05606	0.4
203.05669	0.1
225.22910	0.1
271.04742	0.1
445.33792	0.1
503.24973	0.1
545.26019	1.3
546.26257	0.2
555.52637	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	687.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45662	0.1
59.01381	1.0
71.01378	0.4
73.02967	0.2
79.95736	3.0
85.02921	0.2
89.02451	0.2
93.03431	0.1
96.96004	100.0
97.95935	0.4
101.02431	0.4
102.23093	0.1
113.02430	0.3
124.22192	0.1
139.07947	0.1
161.04587	0.1
191.05594	0.3
209.15315	0.1
265.91940	0.1
371.20605	0.2
390.58597	0.1
503.25119	0.2
545.25995	2.0
546.26434	0.3
586.81158	0.1
590.91980	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	685.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01372	3.5
61.98838	1.5
63.29516	0.3
69.34676	2.6
71.01374	2.2
73.02927	1.1
83.01384	0.3
85.02944	1.3
87.00854	1.5
87.12316	0.3
89.02422	0.8
93.03464	0.3
96.96011	3.9
97.06581	0.4
98.19894	0.5
99.04493	0.6
101.02441	1.2
111.08181	0.3
113.02460	0.7
119.05003	0.5
123.08178	0.6
127.11281	0.8
135.08086	0.4
136.05269	0.5
137.06059	0.5
137.09732	0.5
141.09158	0.3
149.04808	0.3
149.06047	1.4
149.09697	0.3
150.06850	29.6
151.00351	0.3
151.07292	1.5
155.10748	0.7
157.08578	0.4
161.09698	0.6
162.06859	0.7
163.03986	0.9
163.07651	5.4
164.08408	6.4
165.08899	0.5
171.10268	0.5
173.04553	0.6
176.08426	0.5
177.09175	0.8
178.09964	1.9
179.10756	18.5
180.11084	1.1
184.11067	0.4
191.05519	0.8
201.11290	0.3
242.40466	0.3
271.15625	0.3
278.18854	0.4
279.19284	0.4
288.17297	0.3
299.18600	0.5
306.18369	1.4
321.20563	1.0
341.23291	0.9
343.21219	4.7
344.21497	0.4
350.21078	0.4
459.30862	0.6
462.29745	2.0
463.30228	0.5
471.11307	0.3
476.31161	0.5
477.32068	7.7
478.32449	1.1
504.30743	0.8
505.31546	2.1
519.33380	0.3
522.31757	2.6
523.32642	25.0
524.33008	3.8
609.23676	1.0
610.23328	0.5
685.37958	100.0
686.38287	20.7
686.50391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55783	0.4
57.03418	0.6
58.00634	0.5
59.01377	3.1
61.98822	1.3
63.02532	0.5
65.60935	0.5
71.01375	1.2
71.39256	0.5
71.39619	0.8
73.02946	0.8
85.02944	1.9
87.00878	2.0
88.15551	0.5
89.02388	0.5
89.89282	0.5
93.68316	0.5
96.96001	8.2
99.04542	0.5
101.02435	1.0
106.44224	0.5
111.08202	0.6
113.02428	0.6
123.08078	0.5
136.05240	0.6
149.06062	1.2
150.06851	17.8
163.07626	7.5
164.08435	3.5
171.10201	0.8
176.08339	0.8
178.10011	0.9
179.10762	10.2
191.05528	1.2
201.11325	0.7
209.02057	0.5
257.13882	1.0
321.20615	1.2
341.23230	1.8
343.21255	4.3
344.21661	0.5
462.29767	1.6
476.31250	1.5
477.32248	4.9
478.32709	0.8
504.30804	2.6
505.31616	1.6
522.31873	7.0
523.32690	17.7
524.32953	3.1
627.25586	0.6
685.37939	100.0
686.38269	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	685.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13143	0.1
58.00589	0.1
58.90994	0.1
59.01371	2.1
65.52975	0.1
67.21826	0.1
69.69875	0.8
71.01376	2.0
73.02946	0.6
78.95886	0.2
79.95734	3.0
85.02945	0.6
87.00865	0.2
89.02437	1.6
93.03448	0.2
94.33527	0.1
95.01408	0.1
96.96004	100.0
97.02934	0.1
97.95940	0.3
99.00875	1.6
101.02445	0.8
113.02450	0.5
114.93369	0.2
119.03507	0.3
130.84389	0.1
131.03474	0.3
135.04512	0.1
137.02383	0.2
143.03510	0.2
149.04555	1.9
150.36121	0.1
161.04550	0.2
173.04556	0.3
191.05591	1.4
203.05598	0.3
221.04539	0.1
229.88918	0.1
233.06694	0.6
267.61392	0.1
305.90982	0.1
335.09921	0.4
353.11105	0.1
361.29404	0.3
523.34967	0.5
571.74786	0.1
685.40082	2.7
686.41016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80407	0.1
59.01374	0.9
61.98824	0.2
71.01382	0.5
71.35198	0.1
73.02955	0.3
79.45839	0.1
79.95734	3.0
80.84242	0.1
83.01398	0.1
85.02941	0.1
89.02451	0.8
96.96006	100.0
97.95917	0.3
98.20635	0.2
99.00874	1.0
101.02432	0.3
113.02446	0.2
113.05305	0.1
114.93409	0.1
119.26297	0.1
125.02488	0.1
131.03493	0.3
136.65852	0.1
147.62279	0.1
149.04570	1.0
191.05653	0.6
203.05562	0.3
233.06709	0.5
282.82556	0.1
335.09775	0.2
353.10995	0.2
363.05859	0.1
569.45013	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	685.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85116	0.1
54.86729	0.1
59.01375	1.5
71.01373	1.2
71.63382	0.1
73.02940	0.6
78.95890	0.3
79.95736	3.0
83.01397	0.1
85.02943	0.2
89.02436	1.1
90.37510	0.1
93.03434	0.1
96.96005	100.0
97.95943	0.2
99.00875	1.3
101.02438	0.6
113.02440	0.4
131.03476	0.2
135.04425	0.1
136.88480	0.1
143.03513	0.2
149.04539	1.4
173.04587	0.3
177.55708	0.1
191.05586	1.2
191.14665	0.1
203.05591	0.4
233.06670	0.4
335.09866	0.3
336.10266	0.1
353.10904	0.2
361.29532	0.2
523.34760	0.3
685.40271	1.3
686.39996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
60.99304	17.3
66.08469	0.5
69.34451	4.6
73.12774	0.5
76.14880	0.5
85.02950	0.8
88.98801	100.0
89.23957	0.5
89.99155	1.3
93.03441	1.2
98.19831	0.8
101.02469	0.6
104.00401	0.5
109.06567	0.7
133.03043	0.6
135.04507	1.5
137.02390	0.6
140.53741	0.5
143.77583	0.5
151.00351	0.9
161.02449	0.6
164.95480	0.5
173.04491	1.1
179.03448	1.3
191.05589	9.8
191.07272	0.5
198.57556	0.5
207.10130	1.3
225.07715	0.7
225.11285	1.2
227.03474	7.5
229.04991	0.9
232.80641	0.5
255.00526	0.3
255.02931	14.6
256.03427	1.8
284.03241	29.6
285.03955	13.1
353.08701	2.6
381.51169	0.5
389.15939	0.9
415.14774	0.6
593.15051	57.3
594.15417	9.5
623.25403	0.9
625.54877	0.6
683.18152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76764	0.8
57.03445	1.4
58.00586	1.2
59.01376	33.3
61.98832	1.6
69.03403	5.0
69.44485	5.2
69.44888	1.8
71.01377	26.0
71.05038	1.1
72.99308	2.2
73.02947	4.3
75.00876	1.0
81.03474	2.2
83.01393	2.0
83.05025	0.8
85.02950	6.8
85.06596	1.0
87.00871	5.1
89.02438	24.7
93.03422	4.4
95.01375	2.0
96.95998	6.8
97.02937	3.8
98.00719	0.9
98.95625	0.9
99.00855	4.5
101.02436	18.3
109.02962	0.9
109.06597	1.5
113.02437	9.7
116.92874	1.5
119.03490	7.2
125.02439	6.7
134.03746	1.1
135.04469	1.5
137.02390	1.0
143.03497	2.9
149.04510	2.2
153.05533	2.0
153.09082	0.8
161.04536	4.4
163.04129	0.9
167.10776	3.8
173.04590	5.1
177.12891	0.9
179.05643	4.2
179.10727	1.7
179.14415	3.8
191.05576	13.3
192.05988	1.2
195.13860	11.3
205.12305	11.6
211.00520	0.8
221.06682	2.2
223.13361	100.0
224.13766	7.2
235.08224	7.6
253.09143	1.6
263.07611	1.3
287.07581	1.7
305.08813	2.5
323.09821	1.0
397.13452	70.7
398.13782	4.8
415.14511	32.7
416.14914	2.7
590.91077	0.9
595.33435	1.2
621.27582	28.8
622.27954	4.4
630.18750	0.9
637.32562	1.1
639.36407	1.0
681.36401	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	681.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37309	0.2
54.84075	0.2
57.03437	0.7
59.01376	2.2
60.99288	0.5
61.48944	0.3
67.01884	3.3
69.03462	0.5
70.77827	0.6
70.78188	0.4
71.01373	4.1
72.01711	0.3
73.02958	0.7
81.03455	1.0
83.05022	0.6
85.02947	0.8
86.50385	0.2
87.00873	0.5
89.02437	1.9
93.03454	20.0
94.03791	0.4
95.01341	0.3
96.96008	0.4
99.00869	2.6
101.02433	0.7
109.02978	0.5
111.00880	0.7
111.04501	3.7
113.02444	1.3
121.02944	18.6
122.03331	0.4
127.03998	0.4
131.03497	0.2
136.01666	1.2
137.02438	3.7
139.84337	0.2
149.04565	2.1
151.03998	2.5
153.01883	0.2
155.03497	3.4
161.04488	0.4
173.04532	100.0
174.04881	4.0
189.12813	0.3
191.05614	2.3
233.06702	0.6
271.02432	0.2
293.08807	0.5
295.08209	36.8
296.08493	2.7
299.01877	0.3
357.13385	2.2
358.13715	0.2
504.13312	0.3
519.25275	0.3
637.15112	0.3
681.29437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85764	0.3
59.01377	1.9
61.98816	0.3
69.99330	0.3
71.01382	0.9
71.62550	0.4
73.87282	0.3
85.02946	0.3
87.00881	0.4
93.03463	1.1
96.96002	3.6
101.02465	0.5
119.05018	96.9
120.05347	4.4
135.04536	0.4
158.45293	0.3
161.04570	0.4
163.03995	100.0
164.04330	4.9
173.04572	1.5
176.01082	1.2
191.03479	0.8
191.05580	2.9
193.04999	0.4
196.03781	0.3
251.13177	0.3
265.12985	0.3
305.33951	0.2
325.09235	9.2
326.09604	0.8
337.09286	0.4
496.51318	0.3
499.40814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01371	1.0
69.73157	1.0
71.01375	3.2
73.02946	1.0
83.01391	0.3
84.02184	0.2
85.02946	1.7
89.02438	0.5
93.03442	0.8
95.01385	0.5
96.96005	0.6
97.02953	0.3
98.66093	0.2
99.00860	0.5
101.02428	1.4
108.02150	0.8
109.02958	0.4
113.02438	1.2
119.33660	0.2
119.36885	0.2
121.02941	3.3
122.03733	1.8
123.00840	0.4
124.01685	0.3
125.02364	0.2
134.03729	0.7
135.04520	0.3
136.01648	52.3
137.02202	1.6
145.06630	0.3
149.04581	0.3
149.06061	0.4
151.03992	88.4
152.04340	4.0
154.02733	0.3
159.02965	0.5
159.04506	0.7
160.05241	1.1
161.02480	0.3
161.04538	3.9
161.05855	0.3
162.03201	0.7
163.04015	1.0
173.04631	0.3
175.04022	0.6
175.07637	1.5
177.05632	0.9
179.03433	0.3
189.05550	0.3
190.06378	0.3
191.05580	1.6
203.07193	0.3
241.04990	0.3
282.09192	0.2
296.10620	0.3
303.09073	0.3
311.12997	0.6
314.34128	0.2
340.01001	0.2
342.11020	4.8
343.11160	0.4
357.13385	100.0
358.13736	9.6
519.18665	2.7
520.19128	0.3
681.29474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29892	0.1
51.96396	0.1
53.99371	0.1
59.01374	2.1
60.99303	0.4
71.01373	1.5
71.62834	0.2
73.02934	0.3
80.05058	0.3
81.03453	7.4
82.03782	0.2
83.01374	0.2
83.05021	18.8
84.05335	0.4
85.02953	0.5
87.00851	0.2
88.98795	1.8
89.02443	1.6
93.03461	0.4
93.73760	0.1
95.01476	0.2
96.95993	0.7
99.00872	1.1
100.07674	0.3
100.72446	0.1
101.02433	0.6
107.06139	0.5
108.04547	0.6
109.58091	0.1
113.02444	0.6
116.16725	0.2
122.67306	0.1
125.02395	0.2
125.07222	1.3
125.08086	0.2
126.05611	0.5
131.03493	0.5
143.03448	0.2
143.08241	0.6
149.04538	1.7
157.13470	0.2
161.04518	0.2
173.04532	0.7
191.05600	1.7
203.05650	0.4
207.15045	1.3
219.32919	0.2
224.17657	2.7
225.16071	13.7
226.16341	0.6
233.06543	0.4
242.18709	1.0
250.15538	0.2
290.22202	0.2
295.11032	0.2
309.21860	0.8
324.26508	0.6
333.22806	0.9
341.29218	1.0
367.27097	1.0
407.33862	0.3
433.31842	1.2
434.32025	0.2
450.34464	1.5
451.32861	6.0
452.33264	0.8
550.43250	0.9
551.43243	0.2
559.39850	0.4
565.44220	0.3
593.43524	0.4
633.22430	0.2
659.48608	1.4
660.48706	0.3
677.49609	100.0
678.49945	20.3
678.62000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03424	0.8
57.63317	0.3
58.00585	1.6
59.01376	34.3
59.07783	0.3
60.01711	0.3
62.51601	0.3
62.88723	0.3
65.45335	0.3
67.01876	0.4
68.43051	0.3
68.99803	0.5
69.03446	2.1
70.67537	1.1
71.01379	33.4
72.99308	3.0
73.02942	6.2
75.00873	1.0
79.95734	0.6
80.96107	0.4
80.96512	4.0
81.03460	2.2
83.01387	4.3
85.02947	6.5
86.00086	0.4
87.00376	0.6
87.00867	7.4
89.02440	30.2
91.04003	0.9
92.34116	0.3
92.49019	0.3
93.03444	0.4
94.98064	0.5
95.01379	2.6
96.96043	0.3
97.02944	5.5
99.00858	2.0
99.04542	0.6
99.92570	1.0
101.02437	28.2
102.02803	0.4
102.70293	0.3
109.02926	0.8
111.00821	0.5
111.04475	1.1
112.01644	0.4
113.02438	13.4
114.02766	0.6
115.03996	1.0
115.92075	1.9
116.92853	2.7
119.03500	9.0
121.02969	0.5
123.00904	0.6
123.04447	0.4
124.01653	0.6
125.02440	11.5
127.03982	0.5
131.03545	1.6
131.04311	0.3
133.05035	1.0
139.03984	1.0
141.01924	0.8
143.03500	5.3
149.02559	0.3
149.04541	1.3
156.95940	0.7
159.03055	0.4
161.04546	6.9
162.04814	0.4
164.98576	0.4
166.32472	0.3
167.03456	0.6
169.05067	0.5
179.05615	6.7
185.04553	0.4
199.06085	0.4
217.07115	1.0
219.04918	0.4
221.06667	2.9
225.00734	0.8
235.08195	13.1
236.08484	0.7
245.06583	0.7
246.04494	0.3
253.09308	2.8
261.22153	0.3
263.07675	2.0
277.09201	0.9
277.21661	0.5
279.23257	100.0
280.23596	8.2
280.26654	0.5
287.07684	3.9
293.25052	0.4
305.08789	3.8
323.09790	1.2
361.11343	0.6
379.12445	1.0
397.13467	87.7
398.13782	6.2
415.14545	35.1
416.14777	2.8
577.26947	2.0
579.26880	2.5
632.69733	0.3
677.19586	1.6
677.36707	0.5
678.37994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
58.00608	0.4
59.01373	6.1
61.69730	0.3
61.98831	1.3
69.03478	0.4
69.39203	1.0
69.39636	1.9
71.01381	6.3
71.63905	0.3
71.70881	0.4
72.27017	0.3
72.99312	0.7
73.02937	2.8
76.95169	0.3
77.07404	0.3
77.44180	0.3
78.84803	0.3
78.95892	0.3
79.95729	0.6
80.96514	0.5
83.01400	0.7
83.05052	0.3
84.02213	0.4
85.02944	4.2
87.00883	1.1
88.98821	0.6
89.02439	4.1
89.03947	2.5
93.03449	2.1
95.01405	1.3
96.96003	7.3
98.95578	1.2
98.96517	0.4
99.00875	6.9
99.04510	0.5
100.71853	0.3
101.02444	3.2
106.04259	0.6
111.00852	0.7
111.04511	0.4
113.02439	8.5
116.92856	0.7
117.03455	7.7
119.03540	0.4
125.02423	0.6
131.03488	1.0
132.02132	2.4
133.02940	0.7
134.03729	100.0
135.04039	3.3
136.01689	0.3
137.02428	1.2
139.03972	0.7
142.36432	0.3
143.03520	0.9
149.04558	1.9
149.06068	9.3
150.06429	0.4
151.03928	0.4
155.03578	0.6
159.04434	0.5
160.01643	8.8
161.02258	0.5
161.04543	3.1
171.10289	0.5
173.04521	3.5
173.05862	0.6
174.04982	0.3
175.03973	11.4
176.04480	0.4
177.01878	0.4
178.02704	3.0
191.05591	8.2
191.07130	0.5
192.05919	0.4
193.05040	99.6
194.05357	4.3
205.08484	0.4
206.05856	0.6
209.11874	0.7
215.05579	1.2
217.05116	0.5
221.08153	2.4
227.12880	0.4
233.06425	0.6
235.06084	10.5
236.06267	0.7
265.07156	22.6
266.07489	1.6
307.08218	5.8
325.09265	10.7
326.09531	0.9
367.10309	19.6
368.10593	1.6
409.11310	2.5
441.22821	0.7
467.20834	0.8
469.13361	1.9
633.25336	0.6
659.26141	0.6
677.26849	1.2
677.34509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04218	0.2
53.62200	0.2
55.01882	1.0
57.03452	1.1
58.00587	2.0
59.01374	41.5
59.35298	0.2
60.01714	0.3
61.98818	1.0
67.01895	0.5
68.99802	0.4
69.03452	2.7
69.37489	0.2
71.01376	41.0
72.01719	0.6
72.99300	3.1
73.02940	6.7
75.00866	0.8
78.95897	2.8
81.03455	1.8
83.01375	4.1
83.05019	0.5
85.02425	0.4
85.02944	9.1
86.00102	0.3
87.00866	9.8
87.04497	0.2
89.02435	35.9
90.02771	0.3
90.13061	0.2
91.04006	0.7
92.88111	0.2
93.03442	0.6
95.01369	2.9
95.05014	0.3
96.96956	0.3
97.02940	6.6
98.19852	0.6
99.00867	3.0
99.04523	0.6
101.02435	34.1
102.02776	0.6
103.00348	0.3
103.03986	0.4
107.03519	0.2
109.02905	0.9
111.00861	0.7
111.04517	1.2
112.01639	0.3
113.02439	16.5
114.02739	0.3
115.03967	1.0
119.03489	9.9
120.03861	0.2
121.02946	0.6
123.00867	0.3
123.04492	0.3
124.01606	0.6
125.02428	14.2
126.02798	0.5
127.03986	0.7
129.01947	0.4
131.03477	1.9
133.05054	1.1
135.04506	0.6
137.02428	0.4
139.03996	1.2
139.04962	0.2
141.01900	0.6
141.05569	0.3
143.03482	6.4
145.04976	0.2
149.04555	1.3
151.04044	0.3
152.99562	2.4
155.03528	0.2
157.05083	0.2
159.02971	0.2
161.04535	7.7
167.03526	1.0
169.05057	0.4
171.03036	0.3
173.04546	0.5
179.03374	0.4
179.05600	6.8
179.07166	0.4
181.05016	0.3
185.04561	0.6
191.05577	1.4
199.06096	0.7
203.05562	0.4
209.11790	0.4
217.07124	0.9
219.04956	0.5
221.06636	2.7
233.22701	0.5
235.08194	15.3
236.08545	0.7
241.01170	0.4
245.06549	0.9
253.09235	3.6
259.20584	0.7
263.07623	1.5
275.20248	0.4
277.09631	1.3
277.21674	100.0
278.22021	9.2
287.07675	3.9
288.07913	0.2
291.23108	0.5
293.20990	0.3
305.08725	4.6
306.09079	0.3
323.06006	0.3
323.09671	1.9
351.07199	0.2
361.11337	0.7
379.12476	1.2
397.13437	89.0
398.13770	7.2
415.14508	37.4
416.14798	3.0
593.27209	2.1
594.27203	0.3
657.33636	0.4
675.35895	0.9
676.36035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
56.99818	0.2
57.03452	1.1
58.00592	2.5
59.01376	50.5
60.01711	0.5
61.98832	0.2
67.01902	0.2
68.99815	0.5
69.03457	2.4
71.01377	40.7
72.01725	0.6
72.99307	2.7
73.02941	7.3
75.00865	1.1
78.95895	0.2
79.45232	0.2
81.03452	2.0
83.01385	4.8
83.05019	0.5
84.02156	0.2
85.02943	9.1
86.00082	0.3
86.03288	0.2
87.00869	10.7
87.04511	0.4
89.02437	37.4
90.02769	0.6
91.04014	0.8
93.03443	0.4
95.01383	2.7
95.05016	0.5
97.02313	0.4
97.02942	6.8
99.00870	2.8
99.04505	0.6
101.02435	34.8
102.02782	0.5
103.00346	0.4
103.04009	0.5
109.02948	0.8
111.00883	0.6
111.04510	1.1
113.02440	16.0
113.06035	0.3
114.02792	0.3
115.04000	0.6
116.62243	0.1
119.03497	11.8
121.02944	0.8
123.00872	0.4
123.04513	0.4
124.01633	0.5
125.02437	13.9
126.02779	0.4
127.03979	0.4
127.07603	0.2
129.01909	0.5
131.03506	1.9
133.05063	1.4
135.04491	0.2
137.02443	0.5
139.03992	1.2
141.01917	0.8
143.03494	6.9
149.02429	0.3
149.04517	1.0
151.03978	0.2
153.88947	0.2
155.03505	0.4
155.10663	0.2
157.05054	0.4
161.04546	7.9
162.04921	0.3
167.03465	0.7
169.05049	0.4
171.02965	0.4
173.04582	0.2
179.05597	7.2
185.04539	0.6
199.06151	0.8
203.05594	0.6
217.07111	1.1
219.05016	0.5
221.06621	2.8
233.22765	0.5
235.08192	16.4
236.08571	0.7
245.06564	1.2
253.09264	4.1
259.08176	0.3
259.20654	0.5
263.07626	1.7
275.20078	0.6
277.09558	1.4
277.21683	100.0
278.22040	9.4
287.07730	4.1
291.23227	0.4
305.08740	4.8
306.08868	0.4
319.22861	0.3
323.09711	2.0
361.11224	0.7
379.12457	1.3
397.13452	93.0
398.13763	8.1
415.14523	37.4
416.14786	2.8
547.80548	0.2
675.35870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2668
Annotation	11-epi-Azadirachtin D
Peak:m/z	Relative Intensity
50.15986	0.8
52.60806	0.9
57.03426	1.4
59.01374	17.2
60.98431	0.9
66.49908	0.9
68.99801	2.1
71.01389	6.4
73.02932	2.7
78.08295	1.0
80.05048	3.2
82.95397	2.8
83.01353	1.2
84.95107	12.7
85.02929	3.0
89.02438	3.6
93.03434	3.2
94.06609	16.1
96.04556	5.4
96.96000	13.8
99.00853	2.7
101.02431	3.6
104.05041	15.5
106.06593	4.3
107.83469	0.9
108.04557	2.3
110.06104	1.7
113.02423	3.7
118.06595	1.4
120.04511	1.2
120.08179	6.0
121.05302	3.2
122.02512	1.6
122.06096	4.2
124.04029	16.7
124.07670	11.4
131.03426	1.1
134.06099	3.7
136.07674	27.3
143.03442	1.2
148.04027	8.5
148.07668	4.7
149.04501	2.1
153.04297	2.3
160.03970	1.8
161.04582	1.4
162.05435	1.1
164.07166	2.5
166.08711	41.8
167.08981	1.2
173.04526	3.7
174.01859	1.3
176.07263	1.4
180.06647	1.1
190.05089	1.8
191.05568	5.1
194.08203	1.8
215.11922	2.4
237.10338	2.0
239.11929	2.7
241.09747	2.7
241.13440	3.4
243.11259	5.3
251.11850	4.7
253.09772	5.2
253.13272	1.6
254.10573	8.4
255.11221	6.6
261.12369	1.9
266.10571	1.4
267.11237	7.1
277.09729	1.4
278.10837	1.1
279.10995	1.1
285.12320	11.4
298.09604	1.5
300.11151	1.2
317.15265	1.2
327.13419	3.0
332.13898	1.6
348.17435	2.0
355.12778	3.4
360.17288	2.0
361.17865	4.6
362.14792	1.3
374.18839	1.8
388.20422	2.2
390.17886	1.1
391.19031	13.0
392.19623	2.5
403.19028	4.7
413.21945	1.4
414.18106	1.3
415.18924	1.8
420.19244	1.3
430.21481	1.8
432.19388	1.5
433.20013	11.4
434.20474	3.9
435.17947	2.1
440.23102	1.2
459.18576	1.5
474.20303	3.9
477.19046	5.9
478.19250	1.9
485.24796	2.9
487.23413	12.3
505.24185	1.3
518.18903	2.4
527.24438	2.2
529.24280	3.7
531.22522	5.0
537.25177	1.4
545.25665	1.6
550.21710	2.5
555.25995	2.2
557.24005	2.0
571.22815	3.4
573.23212	2.4
575.25146	4.3
581.24042	5.8
587.69971	1.2
589.23590	2.6
599.24951	25.3
600.25293	5.1
601.22955	43.7
602.23206	7.8
625.22473	5.6
643.23981	100.0
644.24286	20.3
657.25610	2.9
675.26648	35.3
676.26843	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	675.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13366	1.7
54.54043	1.6
59.01373	18.4
67.01902	1.6
68.99808	3.4
70.33001	4.8
71.01383	4.8
79.95718	2.2
80.05061	5.5
82.95396	3.0
84.95102	4.6
85.02927	4.3
87.77036	1.9
89.02419	4.9
93.03448	5.5
94.06615	28.9
96.04530	9.0
96.95435	2.9
96.96002	34.1
98.19891	2.0
99.00903	3.7
101.02409	3.6
106.06612	4.9
108.04521	10.7
113.02416	3.2
118.06575	2.7
121.05307	5.4
122.02437	2.2
122.06106	15.1
124.04015	32.7
124.04829	2.8
124.07668	43.1
125.07961	1.8
130.02956	4.7
130.06567	2.2
132.04570	11.1
134.06100	7.5
136.07664	90.9
137.07974	4.1
146.06117	2.5
148.04036	10.8
148.07619	3.9
149.04532	2.1
153.04280	4.3
158.02441	23.4
160.04047	11.8
162.05585	6.5
164.07135	6.3
166.08705	75.8
166.10100	3.7
167.08987	2.9
168.06667	15.9
172.03981	2.2
173.04506	7.8
174.05678	2.9
176.03494	5.7
176.07217	3.5
180.06627	7.3
188.07111	8.8
190.05060	100.0
191.05537	16.6
192.06694	13.3
194.08159	11.3
202.05168	4.0
204.06612	3.0
211.08687	2.3
215.11913	4.4
217.09772	13.2
218.11838	2.9
223.08743	2.6
224.09305	3.3
225.10248	3.8
227.11818	3.5
237.10291	6.1
239.11867	8.7
243.11450	1.9
245.09132	2.1
249.10265	2.9
251.08266	4.6
251.11784	4.7
252.08864	3.2
253.09758	7.7
255.11281	3.1
257.13007	4.2
262.10727	3.3
263.08328	2.5
265.09790	8.1
267.07755	1.9
267.11380	10.1
273.12405	4.1
275.10379	2.7
276.11121	6.8
277.11899	7.8
279.07767	5.1
279.11414	6.3
280.08038	1.9
281.09177	2.1
283.10837	6.7
285.12463	3.8
292.08469	3.3
293.09329	4.9
294.09998	4.2
295.10834	23.6
296.11279	3.2
297.12302	7.7
299.36322	1.9
304.10553	4.4
305.11441	6.1
307.10748	13.3
309.12497	2.0
313.11877	3.3
321.08603	3.9
327.13403	51.8
328.13867	7.8
329.15067	4.6
337.11819	2.9
339.09680	5.5
339.13467	4.6
351.09628	3.1
365.11237	2.6
367.12854	3.2
369.14429	23.3
370.15085	2.6
370.19336	2.0
372.17139	3.3
376.20010	2.7
390.17984	4.4
397.13934	62.9
398.14517	10.5
399.15762	4.1
414.18375	3.4
420.18933	2.8
432.19305	18.9
433.19528	2.4
440.15637	8.6
458.17090	15.3
459.18005	2.1
476.18195	60.1
477.18460	7.7
478.18945	2.1
488.18326	3.1
496.21085	2.2
506.19275	8.0
508.20715	8.3
509.20944	2.8
518.19257	7.1
538.21851	22.4
546.18744	41.1
547.19208	5.7
550.21960	2.9
566.21002	4.9
573.23438	9.9
578.12964	3.4
578.21387	37.0
579.21729	7.5
581.24017	5.7
605.26190	16.6
606.26703	4.4
625.22888	61.0
626.23700	10.2
643.24017	50.6
643.34650	3.4
644.24872	7.5
657.25513	24.7
658.25824	6.2
675.26642	90.0
676.26868	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68159	1.4
59.01380	9.7
65.93711	1.5
68.14383	1.8
68.54336	1.5
68.99802	4.8
70.18127	4.2
72.99395	1.5
85.02950	1.6
85.38033	1.7
94.06618	22.3
96.04556	7.0
96.95989	11.3
101.02435	2.0
106.06600	3.1
108.04543	7.0
110.06116	3.4
113.24554	1.6
116.05070	1.8
118.06625	2.5
120.04483	1.6
121.05335	3.9
122.06136	12.7
124.04042	21.6
124.06850	2.3
124.07681	31.3
125.07933	1.6
130.02986	4.9
132.04565	9.8
134.06129	5.3
135.04359	1.5
136.04077	2.1
136.07678	71.5
137.07973	3.0
148.04042	5.5
148.07768	1.6
153.04265	3.4
158.02478	22.9
160.02794	2.1
160.04002	12.7
162.05556	7.0
164.07121	4.1
165.20291	1.6
166.08730	61.2
167.09013	2.3
168.06651	14.2
172.04013	3.1
173.04581	1.8
174.05556	3.3
176.03468	4.9
176.07179	3.0
180.06642	5.7
190.05089	100.0
191.05511	8.3
192.06673	21.3
194.08168	10.7
202.05037	5.1
204.06612	3.8
206.07887	1.7
215.11906	2.3
217.09763	12.0
223.08643	1.5
224.09584	2.0
226.69781	1.8
231.11380	4.5
233.13113	1.6
237.10220	4.7
239.11815	6.2
241.09842	1.7
243.11288	2.2
245.09209	1.9
251.11839	1.9
257.13037	2.1
259.10855	2.5
265.09766	6.6
267.11285	2.0
269.12759	2.7
275.10376	3.0
276.11057	6.4
277.11887	6.1
283.11041	8.6
285.12439	3.6
295.10873	5.9
297.12497	9.9
298.12973	2.9
305.11417	3.3
307.10953	1.7
313.11832	4.3
323.10287	2.0
327.09692	2.9
327.13443	45.8
328.13852	5.7
329.15152	9.8
337.11752	2.6
339.13425	9.1
367.12653	4.0
369.14468	12.3
370.14774	1.8
397.08923	3.5
397.14008	68.1
398.14474	10.7
399.15549	10.5
420.19260	2.1
476.17972	5.6
494.18964	1.8
506.19214	8.6
538.22034	11.7
561.26898	3.8
566.21106	5.8
573.23383	7.8
581.23785	6.5
595.25220	1.8
599.24976	3.0
605.26233	17.5
606.26477	3.4
613.26752	13.4
614.28021	2.2
625.23096	9.3
631.27661	18.8
643.23907	26.5
644.24615	5.9
657.25665	13.8
675.26593	71.7
676.26953	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
61.98826	1.6
69.59963	0.6
69.60391	0.8
71.01367	0.4
78.95906	2.0
79.95736	3.6
85.02937	0.3
93.03463	0.5
96.96004	100.0
96.96993	2.5
97.95969	0.2
106.13770	0.2
130.41907	0.2
131.81696	0.2
141.01700	0.3
152.99597	0.3
161.02444	0.2
171.10155	0.3
173.04607	0.7
191.05595	0.8
209.11926	0.3
530.49060	0.2
593.26349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
57.03429	4.0
58.00592	1.4
59.01377	100.0
69.03436	5.2
71.01378	31.3
72.99295	5.5
73.02939	8.5
79.95742	2.0
81.03465	2.6
83.01392	6.8
85.02948	28.4
87.00863	8.9
89.02446	9.1
91.43666	1.1
93.03436	4.4
95.01378	4.9
96.96008	46.2
97.02956	8.3
98.95583	1.6
99.00877	8.3
101.02438	17.0
108.02135	1.8
109.02943	6.4
109.18037	1.1
111.00866	3.7
111.04515	2.2
113.02447	36.8
119.03536	1.4
121.02956	1.3
122.06087	1.5
124.06365	1.3
125.02454	9.3
127.03997	2.8
129.01952	1.7
135.04483	2.0
136.07646	1.8
137.02432	4.2
137.09705	2.0
137.42860	1.2
139.03967	2.3
141.01854	1.8
143.03481	5.1
149.04477	1.5
150.63840	1.1
151.00325	3.3
153.01926	3.5
155.03459	1.6
157.05133	1.1
161.04599	6.1
166.08722	1.4
173.04552	8.0
178.99831	2.7
185.04529	1.9
191.05597	10.5
203.05768	1.6
209.15446	8.7
255.25192	1.0
353.19485	1.5
371.20670	4.5
413.21756	4.0
414.21490	1.4
447.08856	1.3
455.23157	2.3
485.23883	86.6
486.24274	10.8
503.24878	4.1
527.24939	63.1
528.25372	6.7
545.25958	48.4
546.26471	8.0
576.77332	1.3
587.26874	1.7
599.24457	1.7
601.23218	1.6
629.28839	1.2
643.23682	3.3
658.19885	1.9
674.38031	2.8
675.26764	3.3
675.38348	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	673.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	16.9
67.05492	7.4
78.26456	7.4
78.95897	47.8
116.07162	42.2
129.10324	6.1
144.10306	24.7
152.99577	36.5
163.11360	5.6
182.10597	12.8
186.06718	5.9
194.11795	8.3
209.11824	39.4
225.16061	96.5
226.16417	6.6
229.34531	6.4
277.21606	16.1
311.19974	6.2
325.21265	100.0
326.21750	11.0
329.20764	8.3
343.22296	12.1
363.12015	10.7
395.14478	6.4
442.29132	73.1
443.29562	10.8
637.41760	20.8
641.34399	19.6
673.37390	8.1
674.38403	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	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24031	0.1
59.01372	2.0
61.67071	0.1
69.26257	1.0
71.01373	1.6
71.05030	0.1
72.23627	0.1
73.02935	0.3
74.35376	0.1
80.02660	1.0
81.03444	1.0
81.27505	0.1
83.01362	0.4
83.05016	4.7
84.02161	0.8
84.35072	0.1
85.02966	0.6
87.00857	0.2
89.02431	1.0
93.03434	0.4
95.05014	0.7
96.95980	0.2
97.02906	0.2
97.06576	0.2
98.19718	0.2
100.10942	0.1
101.02429	1.7
109.06581	0.4
113.02457	1.1
119.03481	0.4
125.06045	0.6
125.09711	0.4
134.03717	0.2
135.08133	0.5
143.03494	0.2
144.65900	0.1
145.05003	0.2
161.04535	0.7
161.09732	0.1
163.11264	3.2
164.11620	0.1
165.12827	2.4
171.10248	1.8
173.04495	0.3
179.05531	0.2
181.12309	0.5
185.11938	0.1
191.05551	0.6
191.10760	0.7
209.11800	100.0
210.12134	5.9
221.11794	0.2
227.12856	13.2
228.13196	0.7
235.08167	1.6
247.13396	0.9
253.09244	5.4
254.09790	0.2
265.14471	0.4
278.33105	0.1
281.81943	0.1
284.03436	0.2
299.01938	0.4
300.02701	0.2
401.23074	0.2
419.24258	0.2
445.20807	0.9
457.21155	0.1
463.21683	0.3
504.08017	0.1
611.30847	0.2
637.32336	0.6
655.33478	0.3
673.33087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17208	0.1
55.01866	0.2
57.03428	0.2
59.01371	2.0
61.98816	0.5
69.03436	0.2
69.34951	0.4
69.35378	0.6
71.01368	1.9
71.05045	0.1
72.99291	0.1
73.02939	0.5
78.03768	0.1
80.02679	0.9
80.25490	0.1
81.03442	0.9
83.01369	0.4
83.05019	4.6
84.02165	1.0
84.05327	0.1
85.02947	0.5
87.00871	0.5
88.04796	0.1
89.02441	1.2
93.03442	0.7
95.05020	0.6
96.96014	0.6
97.02950	0.2
97.06574	0.1
99.00864	0.1
101.02432	1.5
109.06597	0.3
111.00841	0.1
111.08128	0.2
113.02444	1.0
119.03484	0.4
125.06072	0.5
125.09704	0.2
135.04491	0.2
135.08139	0.6
143.03468	0.1
145.05022	0.2
147.11769	0.3
149.09700	0.1
150.06912	0.2
161.04619	0.7
163.10002	0.1
163.11259	4.0
164.11646	0.2
165.12822	2.1
166.13158	0.1
171.10260	1.6
173.04555	0.8
174.17513	0.1
179.05544	0.3
181.12344	0.4
191.05608	1.4
191.10738	0.9
199.03839	0.2
199.13362	0.5
207.10315	0.2
209.11810	100.0
210.12144	6.4
211.13326	0.1
221.11839	0.3
227.12860	14.2
228.13142	0.7
235.08234	1.7
247.13359	0.7
253.09262	5.5
254.09660	0.2
255.02927	0.2
265.14432	0.4
271.02505	0.3
285.03976	0.2
299.01971	0.5
300.02631	0.2
305.39487	0.1
401.23465	0.2
419.24637	0.2
437.24469	0.1
445.20850	1.1
463.21594	0.2
611.30292	0.3
637.31915	0.8
645.95715	0.1
655.33594	0.3
673.42322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39955	1.1
57.03443	2.6
58.00597	1.7
59.01376	73.8
61.98820	4.4
69.03442	2.3
69.28167	10.2
71.01377	40.9
71.01760	2.5
72.99301	3.0
73.02944	24.5
78.95898	2.6
79.95736	3.2
80.96513	3.2
81.03446	2.5
83.01391	5.3
83.05019	6.6
85.02939	15.9
87.00855	5.6
89.02439	35.2
93.03449	8.1
95.01375	2.9
95.05019	1.7
96.96006	26.9
97.02959	1.5
99.00878	47.9
101.02435	24.6
102.02773	1.6
107.01379	1.1
111.00896	1.9
111.04464	1.2
113.02450	23.2
119.03497	7.7
125.02433	4.7
126.53519	1.4
127.03986	1.7
131.03491	5.1
134.03763	1.5
135.04497	2.4
137.02441	2.9
143.03508	3.5
149.04536	24.1
151.00368	2.5
155.03535	2.4
161.04539	6.4
163.11290	4.9
165.12827	3.0
171.10187	3.5
173.04593	8.7
178.99847	1.9
179.05569	2.0
181.12280	2.0
183.13826	2.1
191.05585	45.7
191.10605	1.2
192.05934	2.5
193.05009	2.2
199.13396	7.6
203.05626	7.7
203.07167	1.1
207.10190	1.6
209.11806	100.0
210.12097	4.2
211.13417	6.3
213.46944	1.2
214.03174	1.2
215.07086	1.8
227.03513	1.4
227.12865	34.9
228.13127	2.4
233.06639	5.4
235.08247	2.8
243.02986	1.7
253.09113	7.0
255.02997	2.8
261.59686	1.2
271.02261	6.3
284.03485	1.6
285.04099	1.9
293.08783	1.5
300.02676	9.1
301.03397	4.3
401.23544	1.5
437.25317	3.6
445.20724	1.8
447.22168	2.0
455.26413	4.9
463.21667	3.3
471.15356	3.3
497.27530	3.3
569.29626	36.6
570.29968	4.2
587.30640	34.8
588.30927	4.8
611.30353	2.5
629.31738	58.9
630.32056	9.7
637.31909	3.2
655.21436	2.6
655.32880	2.3
673.21063	8.9
673.42285	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	673.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19252	0.6
57.03443	0.9
58.00593	0.7
59.01373	10.3
61.98815	1.5
65.50601	0.6
67.01894	0.8
68.99815	1.6
69.75109	3.9
71.01377	5.7
72.99307	0.8
73.02930	2.1
79.95722	0.7
80.02663	1.0
80.96497	1.3
81.03452	0.9
82.95370	1.5
83.01360	1.1
83.05009	3.9
85.02933	3.2
87.00887	1.2
89.02442	3.0
93.03439	2.5
94.06623	0.6
95.04993	1.0
95.56264	0.7
96.04546	4.6
96.96004	7.9
98.19957	1.3
99.00857	2.2
101.02438	3.8
106.06635	5.2
108.04538	2.3
108.08176	13.5
109.22630	0.7
113.02441	3.5
122.02497	1.2
122.06100	4.2
124.04031	14.9
125.06085	0.9
130.02974	0.9
132.04526	1.8
132.08218	0.6
133.03003	0.8
135.04506	1.4
137.02431	1.0
148.03979	4.6
148.07657	6.3
150.09229	28.9
151.00357	1.3
151.09576	0.9
155.03522	0.7
158.02455	4.3
160.04036	3.2
161.04599	1.6
163.11276	4.1
165.12811	2.1
171.10289	2.1
173.04562	3.9
176.03546	1.4
176.07220	0.9
178.08707	2.4
178.99887	1.6
190.05072	19.0
191.05551	9.6
192.06677	3.2
199.13412	2.5
209.11801	100.0
210.12183	5.3
211.12263	0.9
213.10579	0.7
215.11922	2.5
222.47162	0.7
227.12866	23.3
228.13129	1.4
235.08347	2.0
237.10355	1.2
239.11894	0.8
241.09772	0.9
249.10355	0.8
251.11960	1.6
253.09291	6.4
253.13412	0.9
257.12964	1.6
262.06992	0.8
263.08331	0.8
265.09619	0.9
267.11365	2.0
269.12744	1.0
271.02432	1.8
277.09814	5.2
278.10645	1.0
279.10931	1.2
281.09335	1.1
283.10760	0.9
289.09909	1.0
291.11328	0.8
293.09271	0.8
295.10910	1.8
300.02576	1.5
309.08780	1.1
309.12521	2.1
311.13980	7.6
312.14539	1.6
320.65564	0.7
321.12384	0.9
323.10336	0.7
330.15897	0.8
353.15030	5.4
358.19232	1.3
374.15152	1.6
381.14520	10.0
382.15146	1.5
398.18738	2.1
399.19205	1.0
400.20370	0.8
415.16089	1.1
419.23941	0.9
426.18121	1.1
427.25024	2.1
430.21384	2.6
453.22940	2.5
454.23489	1.6
460.18793	2.6
463.21756	1.6
472.22604	7.3
473.22931	1.1
492.24890	0.9
495.23993	6.8
496.24338	0.9
527.26477	10.4
528.26831	1.4
529.55072	0.7
536.24261	2.5
537.24927	1.0
547.23322	1.8
556.22894	0.7
564.23676	1.4
565.24487	6.2
566.24902	1.5
569.29266	3.4
579.26093	9.1
580.27026	1.6
587.30664	2.9
597.27179	34.5
598.27490	6.5
611.29163	2.0
629.30286	10.6
630.30359	1.6
637.32324	1.5
641.22925	2.2
655.24701	1.3
673.28735	7.9
674.29297	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	673.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89148	0.8
53.82869	0.9
59.01376	7.7
59.74400	0.8
68.99811	1.6
69.03425	1.0
71.01365	1.5
71.63039	1.6
73.63779	0.8
79.95725	1.3
85.02914	1.8
93.03426	2.1
94.06615	10.5
96.04571	1.6
96.95994	12.1
101.02442	1.5
108.02145	1.3
108.04485	1.0
109.02966	1.1
120.04538	1.5
121.05307	1.9
122.06099	5.3
124.04012	1.8
124.07662	9.4
130.02942	3.1
132.04512	1.2
134.06050	1.5
135.04433	0.9
136.07661	15.6
141.74875	0.9
148.07776	1.0
152.01161	1.6
153.04315	1.1
154.48276	0.9
158.02455	14.0
160.03990	4.1
166.08714	19.6
172.07672	1.5
173.04526	3.1
176.03452	1.1
178.99763	0.9
184.19763	0.9
188.10765	10.4
190.05070	60.3
191.05566	8.9
192.06567	1.3
194.08195	5.6
202.05042	3.4
203.08350	4.4
206.08144	1.4
213.10266	1.1
214.12358	2.8
215.08174	7.3
216.10309	1.8
227.08235	1.2
229.09770	4.8
230.11790	1.2
231.11346	14.8
232.11691	1.0
241.09837	5.0
242.10516	3.7
243.07445	0.9
244.08408	1.7
255.11270	6.1
257.12894	21.4
258.13306	1.8
259.10822	3.6
267.07816	1.7
275.10352	34.9
276.10571	1.7
281.09265	2.0
283.10806	3.0
295.10931	1.1
297.12387	3.0
301.11859	1.7
303.09836	41.5
304.09976	2.5
306.77045	1.0
307.10867	1.2
325.11697	1.2
327.10110	1.4
327.13419	33.3
328.13678	2.0
397.13971	100.0
398.14334	11.6
437.46060	1.0
579.22614	8.5
580.23010	1.4
611.25037	3.7
623.21259	12.4
624.22162	1.6
641.22638	4.5
655.23981	29.8
656.24384	5.0
673.25024	13.5
674.25244	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	673.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84308	0.7
59.01384	7.2
61.98825	1.1
67.01888	1.2
68.99805	1.4
71.01376	2.3
82.95418	0.8
85.02921	0.9
91.16688	0.8
93.03435	2.3
94.06618	12.8
96.04518	1.7
96.96004	12.6
101.02426	1.0
108.04545	1.1
110.06130	1.2
116.05006	1.3
116.63297	0.8
118.98050	0.8
120.04492	1.3
121.05324	2.4
122.02477	2.0
122.06119	6.2
124.03989	1.7
124.07668	9.2
130.02957	2.7
132.04556	1.2
134.06128	2.3
135.04524	1.4
136.06708	1.6
136.07677	17.5
137.08025	1.0
145.10287	1.0
148.03993	1.6
148.07550	1.1
149.04659	0.8
152.01102	1.8
153.04349	1.1
158.02460	15.7
160.04025	3.8
164.07117	1.5
166.08707	21.9
172.07639	1.3
173.04524	3.8
174.05646	1.1
176.03508	1.9
188.10764	8.4
190.05078	60.5
191.05554	8.9
192.06581	1.7
194.08224	6.4
198.09213	1.0
202.05099	2.8
203.08267	4.4
214.12276	4.2
215.08217	6.0
216.10373	1.4
227.08171	1.3
229.06059	1.4
229.09743	4.7
231.11334	15.2
232.11746	1.0
241.09863	5.6
242.10609	4.2
243.07730	1.0
244.08392	2.1
248.20714	0.8
255.11449	4.0
257.12967	18.2
258.13351	1.0
259.10916	4.8
265.09711	2.4
267.11279	1.3
275.10364	37.2
276.10684	2.0
281.09225	2.1
283.10825	2.1
291.07498	0.9
293.09335	1.3
295.10794	1.5
297.12332	2.0
303.09830	36.7
304.10287	1.9
307.10760	1.3
327.09991	1.2
327.13440	29.9
328.13782	1.9
339.13477	2.1
369.14716	1.4
397.13998	100.0
398.14334	12.1
510.66470	0.9
535.23090	1.3
579.22461	8.0
580.21960	1.5
597.23724	1.4
611.25146	4.2
612.24695	1.4
623.21387	14.2
624.21863	2.8
629.25818	1.5
634.01294	0.9
641.21924	4.4
652.14148	0.9
655.24036	25.5
656.23969	5.2
673.24908	13.2
674.25348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88031	0.7
55.01877	3.8
57.03438	1.2
59.01374	100.0
60.01694	1.3
61.98827	1.3
67.01852	0.9
67.40306	0.8
69.03447	7.8
70.03756	0.7
71.01377	34.1
72.99303	1.6
73.02944	12.1
75.00880	1.6
76.68803	0.7
79.95722	1.5
81.03461	1.3
82.95390	4.8
83.01361	6.4
85.02943	16.0
87.00861	1.7
89.02438	17.9
93.03436	1.8
95.01366	2.4
96.96006	18.3
97.02937	4.1
98.95576	1.2
99.00877	8.5
101.02435	38.8
102.02745	1.0
109.02918	1.5
111.00861	1.1
113.02435	20.6
119.03524	1.3
125.02428	6.9
131.03490	26.8
140.40456	0.9
143.03493	4.9
149.04517	5.1
149.05630	0.8
151.00345	1.9
155.03462	3.2
161.04503	3.9
168.26172	0.9
173.04515	3.6
178.99803	2.2
191.05600	30.4
192.05980	1.6
203.05602	8.1
233.06638	10.3
275.07605	2.0
293.09113	0.9
304.93933	0.8
317.08719	1.0
337.03461	1.3
359.14658	0.9
407.16974	1.2
425.18115	3.8
451.22882	0.9
569.22357	34.0
570.22839	6.1
587.23352	24.3
587.32831	1.2
588.23785	3.7
629.24170	2.5
641.21930	1.7
673.22339	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	673.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51556	1.2
55.01878	3.8
57.03433	2.7
59.01374	100.0
60.40465	1.1
61.98840	1.5
67.01899	2.0
67.53944	1.3
69.03448	7.2
71.01377	45.6
71.62979	1.5
71.84387	1.3
72.99302	2.9
73.02940	15.3
73.43702	1.1
75.00856	1.6
79.95727	3.4
82.95411	16.9
83.01390	8.0
85.02945	19.0
87.00867	3.1
88.98811	1.5
89.02438	22.7
93.03458	3.2
95.01382	3.7
96.96000	36.4
97.02930	4.7
99.00876	12.6
101.02433	49.2
111.00845	3.5
113.02440	27.2
119.03481	3.7
119.32976	1.1
125.02416	6.7
131.02519	1.9
131.03490	27.4
143.03496	7.9
149.04520	6.4
151.00357	3.3
155.03465	3.6
161.04478	6.6
165.44623	1.3
173.04523	6.3
178.99776	3.4
179.05568	1.5
191.05591	35.9
192.06075	2.0
203.05556	8.7
209.11699	2.1
233.06668	9.3
275.07645	2.6
307.55136	1.3
309.03992	1.2
337.03601	2.2
407.16986	3.0
425.18231	7.8
451.23331	1.6
451.50919	1.6
481.14774	2.0
545.25641	2.0
569.22284	61.5
570.22821	8.8
587.23346	45.0
588.23541	5.3
629.23956	4.5
641.22614	1.6
673.22913	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	672.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
61.98829	10.8
65.00340	0.7
71.01375	0.4
71.62482	0.6
81.03448	0.4
85.02936	1.2
87.00848	0.5
93.03440	1.5
96.96004	5.8
97.06981	0.5
107.01379	1.4
109.02959	0.8
121.02949	1.2
124.75927	0.4
149.02393	0.5
151.00359	5.6
161.02403	0.6
161.08115	0.6
169.01418	0.5
171.04628	0.4
173.04558	2.2
175.00266	1.0
178.99811	1.6
179.52257	0.4
191.05620	4.6
193.05095	0.5
199.04092	0.7
201.01921	0.5
209.11862	0.6
215.03485	0.6
227.03441	1.6
229.05162	0.7
243.02939	2.2
255.02982	1.5
271.02451	27.3
272.02847	1.7
283.02405	1.0
285.04044	1.0
297.04141	0.5
299.01944	49.1
300.02527	10.1
301.03491	45.3
302.03879	3.1
305.10770	1.3
313.03558	0.6
331.13837	0.7
343.04572	0.9
447.09286	4.7
462.07965	14.4
463.08649	7.2
464.08929	0.8
609.14539	100.0
610.14856	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	672.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34332	0.9
59.37969	0.8
61.98809	1.3
70.62630	0.9
70.62987	1.9
77.90291	0.8
89.98089	0.8
93.03436	0.8
96.96016	1.4
107.01363	1.9
110.90475	0.8
119.81673	0.7
121.02955	1.2
139.73601	0.8
151.00342	8.8
163.00325	1.4
173.04611	1.2
175.64078	0.8
178.99861	4.9
191.05553	1.8
227.03374	2.2
243.02917	6.6
244.03610	1.4
254.02103	2.1
255.02930	20.5
256.03412	2.0
271.02435	45.0
272.02911	4.3
283.02417	1.0
285.04819	0.8
299.01938	0.9
300.02704	87.6
301.03409	26.0
302.03818	1.7
609.14526	100.0
610.05634	1.3
610.14789	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4006
Annotation	Guineamide D
Peak:m/z	Relative Intensity
54.47250	0.4
57.03444	0.6
57.45427	0.4
59.01383	3.1
61.98816	1.2
63.44029	0.4
69.34818	1.3
69.35241	2.1
71.01370	1.3
73.02939	1.0
83.05036	0.7
85.02944	1.4
87.00880	0.8
88.98830	0.5
89.02411	0.7
91.31626	0.4
93.03454	1.2
95.82634	0.4
96.96000	1.4
98.19833	0.8
99.00823	0.5
99.04521	0.5
101.02401	0.9
109.06582	1.2
111.59218	0.4
113.02420	0.9
118.30067	0.5
121.06640	0.5
135.04443	0.4
135.08145	1.2
136.05269	0.6
137.06056	0.5
137.09639	0.5
145.24574	0.4
149.06071	4.8
150.06851	36.6
151.07381	1.6
155.10759	0.8
161.09663	0.5
162.06822	0.7
163.07639	9.8
163.11320	0.9
164.08400	5.8
171.10258	1.0
173.04533	2.1
174.83559	0.4
176.08430	2.0
177.09189	0.7
178.09984	2.9
179.10757	11.8
179.47031	0.4
191.05614	4.6
207.10255	3.2
209.11816	5.3
225.11366	3.2
227.12921	1.2
253.09157	1.3
258.51529	0.4
271.02417	0.9
300.02795	1.1
327.25351	1.2
329.23279	5.7
445.33276	1.0
447.34537	0.5
448.31772	6.5
449.32288	1.1
461.20184	0.9
462.33511	1.3
463.34299	8.8
464.34689	1.6
478.21722	0.6
490.33249	2.2
491.33759	2.5
508.33749	3.0
509.34787	25.4
510.35312	3.9
653.31897	1.4
671.40125	100.0
672.40503	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	671.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01375	6.0
61.98818	2.5
65.00333	0.5
69.03479	0.6
69.45711	3.8
69.80632	0.5
71.01378	4.3
72.99312	0.9
73.02939	1.2
75.00844	0.7
79.95735	0.9
80.96519	0.7
83.01396	0.8
83.05013	0.9
85.02946	1.5
85.09687	0.5
87.00870	2.6
89.02450	1.2
93.03458	2.7
95.37041	0.5
96.96004	11.5
98.19823	0.9
99.00871	1.5
101.02420	2.5
109.02998	0.8
111.04525	1.1
113.02415	1.5
120.05820	0.6
121.06605	1.2
122.03716	1.0
123.08126	1.4
125.02441	0.7
126.90476	1.0
127.11257	0.5
135.04521	1.8
136.05290	24.9
137.02397	0.6
137.06006	0.5
137.09660	0.6
147.08109	0.8
148.05293	0.7
149.04608	0.9
149.06053	4.9
150.06892	3.6
151.00320	1.7
152.01105	0.7
155.10760	0.6
161.04599	0.7
162.06844	1.1
163.07645	0.9
164.08400	2.6
165.09190	25.3
166.09499	0.9
171.10197	1.1
173.04544	3.8
178.99825	1.4
179.10667	0.8
191.05615	9.3
192.05992	1.4
207.10202	1.0
209.11818	2.0
225.11264	0.8
227.12938	0.6
236.93678	0.5
265.09924	0.5
292.16724	1.3
299.01974	1.1
300.02707	0.6
307.19165	3.1
336.19357	0.6
343.21225	6.5
344.21735	0.6
350.57190	0.5
445.29303	1.3
463.30573	10.1
464.30804	1.5
465.32355	1.1
491.29825	2.7
508.30457	2.2
509.31140	26.7
510.31396	4.1
548.59241	0.7
567.28101	0.7
653.16455	0.5
671.36401	100.0
672.36743	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	671.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.14838	0.5
59.01378	10.8
61.64520	0.5
65.03963	0.5
68.57140	0.4
69.03452	0.7
69.72532	2.8
71.01376	6.5
72.00988	0.6
73.02945	1.2
76.91193	0.4
80.02680	1.8
81.03450	3.4
83.01392	2.0
83.05022	7.9
84.02165	1.4
85.02956	2.1
87.00856	1.4
89.02438	4.3
93.03423	2.6
95.01376	0.5
95.05036	1.4
96.96020	1.5
97.02934	6.2
97.06596	0.9
99.00880	2.0
101.02433	5.3
106.04224	0.5
107.01390	1.1
107.05035	1.1
109.06579	23.7
110.03755	1.6
110.06912	0.8
111.04523	1.1
113.02444	3.7
119.03538	1.0
121.06561	2.2
123.04504	0.5
123.08146	0.7
124.01640	0.8
125.02426	1.1
125.06106	0.6
125.09724	2.6
127.11419	0.5
135.08173	3.2
136.05307	2.1
136.71201	0.5
142.02666	1.4
145.05067	1.0
151.00366	5.3
152.01157	2.1
159.04417	0.6
161.04552	1.9
161.09715	1.6
163.11278	18.5
164.11456	0.8
165.12819	2.8
167.07146	0.7
169.01485	0.6
171.10275	3.1
173.04503	1.3
178.99821	4.4
179.05569	0.8
179.10785	0.7
181.12317	4.2
185.11815	2.2
187.09747	1.0
189.09158	1.4
191.05583	2.0
191.10776	1.0
199.13359	0.7
201.11290	0.9
207.10242	64.2
208.10570	3.9
209.11806	100.0
210.12144	6.3
211.13460	0.6
217.12648	0.5
221.11804	0.8
223.13374	1.0
225.11290	32.7
226.11633	2.0
227.12848	14.7
228.13113	1.1
229.84416	0.5
231.10284	0.8
235.08237	4.2
235.13390	0.8
239.97893	0.6
243.12225	0.8
245.11823	0.7
247.13293	1.5
249.11292	1.6
253.09253	11.1
263.12857	1.3
265.14490	1.1
281.13995	0.5
299.14984	0.9
311.43369	0.6
345.16888	0.5
355.22812	0.6
373.23584	0.7
389.23279	1.0
399.21783	5.6
400.22064	0.5
407.24097	0.6
417.22870	5.3
418.23190	0.6
435.23849	1.0
443.19150	3.4
444.19614	0.7
445.20959	1.0
461.20313	10.9
462.20346	1.1
485.20355	0.6
489.15594	1.7
491.25912	0.6
499.21378	0.8
507.16318	1.9
627.29919	0.8
635.30731	12.3
636.31256	2.5
653.31720	15.5
654.31873	3.1
671.32733	28.8
672.32977	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95228	0.6
55.98284	0.5
59.01374	13.1
60.99331	0.7
61.98841	2.2
69.03458	0.8
71.01376	6.8
71.63580	0.6
73.02982	1.9
75.00909	0.7
78.95903	6.6
80.02696	2.3
81.03467	3.0
81.15551	0.7
83.01389	1.0
83.05017	6.7
85.02973	2.9
87.00879	1.0
88.98824	2.0
89.02441	4.7
93.03449	3.6
95.01377	1.1
95.05040	2.2
96.96004	4.0
97.02950	6.0
97.06565	1.2
99.00887	2.7
100.36578	0.7
101.02451	4.8
101.06094	2.5
107.05001	0.7
109.03002	0.8
109.06580	14.5
109.07327	0.8
109.32095	0.6
109.33045	0.6
110.03760	1.0
111.04534	1.8
113.02448	3.2
119.03487	1.1
121.02987	0.8
121.06593	1.2
123.04550	1.0
123.08183	1.2
125.06100	0.8
125.09706	2.2
134.03717	0.9
135.04523	1.2
135.08170	2.6
136.05295	1.2
142.02701	1.8
147.63533	0.7
151.00357	0.7
151.07651	2.3
152.99590	3.3
155.23840	0.7
161.04567	1.9
163.11273	15.8
165.12805	3.3
167.07182	0.7
171.10272	5.3
173.04568	4.8
179.05611	1.4
181.12344	5.9
185.11882	1.6
189.09190	1.5
191.05594	9.0
191.10756	1.5
201.11334	2.1
207.10248	51.7
208.10591	3.0
209.11809	100.0
210.12152	6.4
223.13379	1.0
225.11296	39.0
226.11633	2.5
227.12874	15.5
228.13075	1.1
231.10292	0.9
235.08160	4.2
243.12325	3.0
247.13329	0.8
249.11224	1.4
253.09253	8.4
265.14389	0.7
281.13876	0.9
363.12097	1.3
373.23688	1.9
381.07748	0.8
391.25037	0.8
399.21646	3.4
405.17114	0.7
417.22815	3.6
435.23557	1.1
443.18872	2.7
445.20737	1.3
461.20154	10.6
462.20233	0.8
503.41476	0.7
591.30939	0.8
611.38367	1.5
625.31683	0.9
627.30383	0.8
635.30627	9.3
636.30493	1.9
653.31537	14.5
654.31299	2.2
671.32330	26.9
672.33069	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
57.03435	2.0
58.00581	1.9
59.01374	85.4
69.03458	1.3
71.01374	44.2
72.01711	1.2
72.99291	4.4
73.02940	28.6
75.00860	1.7
80.11956	0.8
81.03484	0.9
83.01374	6.0
85.02951	12.0
87.00876	3.5
87.29497	0.9
89.02436	35.5
93.03430	1.1
95.01394	2.9
96.96004	2.8
97.02930	2.0
98.19765	0.9
99.00872	70.6
101.02434	23.1
113.02432	24.8
119.03513	7.9
125.02442	3.6
131.03488	10.1
134.95409	0.8
135.04494	0.8
136.05295	2.1
137.02403	0.9
143.03476	3.8
143.64877	1.1
149.04549	40.1
149.05879	1.9
150.04852	1.0
151.07623	4.6
152.08408	29.3
152.09642	1.6
153.08708	1.4
155.03505	1.9
160.32774	1.0
160.34195	0.8
161.04530	10.7
164.08380	0.9
165.09161	2.6
173.04524	2.5
179.05580	1.8
191.05597	34.5
192.05992	0.9
203.05595	12.7
203.10793	4.2
209.11757	2.5
215.10745	1.6
217.12285	4.2
218.13078	2.4
225.11407	1.1
227.12738	1.0
233.06630	14.0
235.43188	0.9
249.65549	0.8
273.18533	4.3
291.19659	5.1
293.08749	2.4
301.16412	1.3
335.09732	2.7
415.19720	1.7
433.20847	6.6
434.22189	0.9
435.23752	14.7
436.24069	1.0
438.22580	1.3
447.35419	0.9
453.24796	18.8
454.25220	3.3
459.80942	1.1
475.21756	28.8
475.28558	1.4
476.22104	3.6
495.25961	13.8
496.26151	2.6
564.02576	1.1
567.28015	30.8
568.28461	4.5
585.29089	31.3
586.29272	5.6
627.30139	100.0
628.30469	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30910	1.5
55.01865	2.3
58.00576	1.8
59.01373	100.0
61.98829	10.5
69.03444	2.5
70.94832	4.1
71.01375	58.3
71.68298	1.6
72.01730	1.8
72.99298	6.5
73.02940	24.7
75.00864	2.8
79.95712	2.6
80.96532	3.2
82.58852	1.6
82.95399	10.1
83.01382	5.5
85.02951	18.3
86.03253	1.7
87.00854	5.9
89.02437	40.0
90.93612	1.5
93.03452	11.2
95.01387	4.7
96.96011	27.0
97.02932	3.0
99.00872	51.5
101.02431	27.3
109.02908	2.4
111.00863	1.7
113.02439	32.6
115.44843	2.0
119.03500	5.2
125.02403	6.5
128.98813	1.9
131.03497	10.2
135.04539	2.6
136.05260	4.3
137.02397	4.5
143.03479	5.2
149.04544	35.6
151.00334	2.4
151.07651	5.0
152.08406	48.7
155.03444	4.1
161.04559	13.3
165.09174	4.3
173.04546	16.1
174.01645	2.3
178.99826	2.7
179.03470	3.2
179.05586	2.9
179.07085	1.9
187.93135	2.1
191.05589	61.0
192.05872	2.8
203.05609	12.6
203.10826	2.4
207.10124	2.9
209.11812	6.4
225.11255	2.4
227.12816	2.0
233.06645	6.9
239.09273	1.9
269.13901	2.2
273.18555	3.9
291.19656	2.6
307.36359	1.6
310.07846	1.9
335.09711	2.1
344.11490	1.7
415.19815	3.6
433.20959	10.8
435.23959	9.3
453.25308	10.5
475.21771	40.6
476.22217	4.0
491.30814	1.8
495.25714	5.6
509.24121	3.1
509.30585	3.1
567.28058	49.8
568.28375	8.2
585.20789	3.3
585.29120	39.4
586.29260	7.3
615.74158	1.7
627.30219	65.1
628.30341	13.9
671.27301	1.8
671.36804	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	671.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01374	2.7
61.98815	1.2
63.02382	2.3
65.00311	6.2
69.35534	4.9
71.01379	1.7
83.01368	4.3
83.05016	0.8
88.64328	0.5
88.98756	0.6
93.03446	1.4
96.31475	0.6
96.96001	1.4
97.80784	0.5
98.19759	0.7
101.02424	0.8
107.01373	10.5
109.06544	1.3
111.04530	0.8
120.68238	0.6
124.01630	1.4
125.02419	1.9
135.04552	1.4
137.02457	0.8
140.10590	0.6
151.00354	37.7
152.01161	4.1
159.04544	1.0
161.02396	0.8
163.00337	1.6
163.11270	1.7
167.06981	0.7
169.01430	1.6
171.10275	1.1
173.04492	2.3
173.06027	1.5
178.99841	16.1
180.00090	0.6
187.04019	0.7
191.05551	1.7
192.00571	1.4
193.01324	1.8
201.05490	1.2
207.10196	4.3
208.10593	0.6
209.11801	7.2
213.05550	0.6
225.05867	0.5
225.11316	3.6
227.12961	1.6
230.60027	0.6
235.08095	0.8
241.01459	0.7
242.02213	1.1
243.03209	0.6
256.03720	0.8
257.04462	1.0
265.05026	0.7
269.04544	1.1
271.02411	2.6
281.04520	0.8
283.06076	0.8
285.03964	2.3
295.06070	1.3
297.03937	1.5
299.01807	0.6
300.02686	2.0
313.03461	5.7
314.04221	3.6
325.03455	1.1
335.05438	1.0
339.05042	0.6
340.05786	7.5
341.02777	3.0
342.03677	1.3
346.03299	3.4
353.02606	1.0
353.06635	14.2
354.07297	1.2
355.04559	0.8
367.04504	1.5
367.08279	1.9
381.06079	6.1
423.14288	1.6
495.16586	16.5
496.17017	6.1
497.18054	3.7
524.16833	12.7
525.17523	12.6
526.17804	2.0
578.40552	0.6
643.22937	0.7
653.31622	1.8
671.23358	100.0
672.23706	17.7
672.34747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08534	0.9
58.22130	0.9
59.01368	3.6
61.98824	8.3
63.02385	1.1
65.00340	1.3
69.79497	2.1
69.79904	4.1
71.01379	2.0
76.76834	1.0
83.01370	0.9
88.87735	1.1
91.80573	1.0
93.03407	0.9
96.96001	1.8
101.02454	1.3
107.01373	1.9
109.06607	2.4
113.02431	1.0
143.05075	1.4
143.12720	0.9
145.02922	1.7
151.00340	10.2
155.05019	1.7
157.02998	1.2
163.11282	2.2
171.04459	3.5
178.99718	1.1
183.04517	2.0
185.02400	1.0
186.03188	1.8
187.03947	1.9
191.05649	1.9
199.03993	9.0
201.01982	1.6
207.10223	5.4
209.11783	12.4
211.04001	1.5
214.02660	4.9
215.03404	3.0
225.11237	4.9
227.03461	5.7
227.12767	1.5
229.71371	1.2
241.01442	4.8
242.02142	9.5
243.02939	16.0
244.03319	1.5
245.00969	5.2
253.09395	1.7
255.02905	13.3
256.03174	1.7
270.01697	12.9
271.02454	40.0
272.02808	3.2
298.01016	5.8
299.01950	100.0
300.02597	25.9
301.03305	3.9
313.03528	2.2
314.04141	1.6
384.91891	0.9
398.38196	1.0
445.07654	17.8
446.08481	72.3
447.08786	6.7
461.20172	1.6
495.16373	1.6
524.16779	2.7
525.17670	1.6
671.23334	33.2
671.33282	3.9
672.23975	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	671.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88761	0.2
59.01371	2.7
67.01872	0.5
67.18536	0.2
70.17339	0.3
71.01369	1.4
71.62708	0.3
73.02916	0.3
81.03433	0.3
85.02948	5.2
87.00854	2.0
89.02453	0.3
93.03452	3.4
96.96001	2.6
99.04526	0.4
99.67638	0.3
103.93439	0.3
109.02945	0.6
111.04516	1.2
113.02482	0.3
119.05003	0.5
127.03983	1.8
136.01666	0.3
137.02457	0.6
145.02908	0.8
158.80142	0.2
163.04027	1.0
171.02974	0.3
173.04506	2.9
180.06238	0.3
191.05586	100.0
192.05914	3.3
211.12784	0.4
337.09250	24.2
338.09644	2.2
343.93274	0.3
509.20023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3852
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03437	1.4
59.01376	8.9
61.98817	3.3
68.26162	0.7
70.95514	1.5
71.01383	3.4
73.02943	0.8
77.83806	0.5
78.09864	0.6
78.95895	1.2
79.14925	0.6
80.96525	0.6
83.87041	0.7
85.02952	2.1
87.00871	1.8
87.59084	0.6
88.98773	1.0
89.02478	1.3
93.03448	2.0
96.95997	4.7
99.04526	2.0
101.02439	1.6
109.06562	2.0
113.02430	1.3
113.06085	0.7
121.06548	0.8
125.02426	0.7
125.09720	1.0
135.04504	1.1
136.05287	0.9
149.06079	4.8
150.06851	39.4
151.07506	1.5
161.02452	0.8
161.09659	1.2
163.07639	10.4
163.11227	1.2
163.23608	0.6
164.08426	6.1
171.10225	1.6
173.04520	2.4
176.08392	1.2
178.09962	2.0
179.03448	0.7
179.10756	9.7
180.11053	0.7
182.27577	0.6
191.05574	3.8
207.10269	2.4
209.11806	2.9
222.22958	0.6
225.11386	2.2
281.21100	1.0
325.23993	1.1
327.21744	5.9
428.29254	0.8
446.30252	6.8
447.30698	1.4
460.31726	1.4
461.32697	10.2
462.33337	1.3
488.31305	2.2
489.32214	2.3
506.32355	2.8
507.33197	26.1
508.33133	4.0
651.30243	2.8
669.38599	100.0
670.38965	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	669.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01376	8.9
61.98817	3.3
68.26162	0.7
70.95514	1.5
71.01383	3.4
73.02943	0.8
77.83806	0.5
78.09864	0.6
78.95895	1.2
79.14925	0.6
80.96525	0.6
83.87041	0.7
85.02952	2.1
87.00871	1.8
87.59084	0.6
88.98773	1.0
89.02478	1.3
93.03448	2.0
96.95997	4.7
99.04526	2.0
101.02439	1.6
109.06562	2.0
113.02430	1.3
113.06085	0.7
121.06548	0.8
125.02426	0.7
125.09720	1.0
135.04504	1.1
136.05287	0.9
149.06079	4.8
150.06851	39.4
151.07506	1.5
161.02452	0.8
161.09659	1.2
163.07639	10.4
163.11227	1.2
163.23608	0.6
164.08426	6.1
171.10225	1.6
173.04520	2.4
176.08392	1.2
178.09962	2.0
179.03448	0.7
179.10756	9.7
180.11053	0.7
182.27577	0.6
191.05574	3.8
207.10269	2.4
209.11806	2.9
222.22958	0.6
225.11386	2.2
281.21100	1.0
325.23993	1.1
327.21744	5.9
428.29254	0.8
446.30252	6.8
447.30698	1.4
460.31726	1.4
461.32697	10.2
462.33337	1.3
488.31305	2.2
489.32214	2.3
506.32355	2.8
507.33197	26.1
508.33133	4.0
651.30243	2.8
669.38599	100.0
670.38965	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	669.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03297	0.6
55.01880	1.7
57.03448	1.4
59.01376	100.0
60.01717	1.2
61.98823	0.8
69.03467	1.4
70.54424	1.6
70.54758	1.0
71.01380	24.8
72.99304	1.6
73.02942	7.6
81.03466	1.1
83.01376	5.2
85.02945	13.6
86.00128	1.3
87.00875	3.5
89.02462	2.5
91.61607	0.7
95.01389	4.8
96.96003	4.6
97.02973	4.3
98.40330	0.7
99.00867	4.0
101.01779	0.9
101.02441	18.5
111.00876	3.5
112.01684	2.5
113.02440	12.5
115.04056	0.9
123.00871	0.7
124.01649	4.3
125.02438	10.9
129.01942	1.1
143.03488	5.6
159.03004	1.5
161.04610	2.9
167.03574	0.8
171.13934	0.8
173.04568	3.0
178.99983	0.7
191.05595	8.3
193.88490	0.8
317.19571	5.0
335.20767	4.7
401.21936	0.8
413.21689	1.6
425.22064	1.5
443.23184	2.5
461.23871	34.0
462.24268	4.3
479.24924	72.7
480.25323	8.2
497.26044	21.2
498.26630	2.4
521.25897	18.1
521.33191	1.0
522.26434	1.6
539.27075	20.3
540.28040	2.0
552.83142	0.8
581.28503	2.3
596.09595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59695	0.3
55.01858	0.6
58.00576	0.4
59.01374	35.2
61.98826	27.1
62.34350	0.4
69.48976	1.8
69.49385	1.1
71.01376	13.4
72.99296	0.4
73.02944	6.6
83.01379	1.6
83.04972	0.4
85.02938	5.3
87.00846	0.6
89.02443	7.4
93.03432	0.7
95.01343	1.0
96.96001	3.1
97.02955	0.6
99.00871	7.4
101.02436	7.2
111.00893	0.5
112.01665	0.5
113.02442	6.7
119.03490	1.6
123.08160	5.7
124.08469	0.6
125.02402	1.2
131.03487	1.4
134.03720	0.9
137.09698	2.1
143.03467	1.2
149.04527	1.8
150.03241	2.1
159.02975	0.9
160.01643	1.5
161.04541	3.7
163.11264	5.9
164.11577	0.5
165.05539	1.1
173.04491	0.8
175.04018	2.3
179.05640	0.5
189.12828	7.7
190.13213	0.5
191.05592	3.7
193.05028	1.6
203.05588	0.5
207.13864	10.8
208.14211	0.8
225.14941	1.4
233.06503	0.5
234.66925	0.4
257.48224	0.4
355.42606	0.4
370.13522	0.4
387.20178	1.1
429.21219	2.0
473.16559	5.5
501.23300	1.1
519.24365	7.7
520.24689	1.5
561.25452	100.0
562.25818	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	667.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
58.00585	1.6
59.01374	37.7
70.31265	1.7
71.01377	21.6
72.99287	1.5
73.02943	0.5
83.01367	1.3
85.02945	4.6
87.00880	0.7
89.02437	22.7
90.02761	0.7
93.03436	1.8
95.01380	1.7
96.96001	3.3
101.02435	15.4
108.98727	0.4
109.02943	0.7
111.04544	0.4
113.02440	8.1
113.49900	0.4
119.03492	9.7
119.04969	3.1
121.02938	0.6
131.03477	0.8
131.63005	0.3
135.04521	3.8
137.06065	1.4
143.03464	0.7
149.04498	0.6
151.03987	0.4
153.38132	0.4
156.12961	0.4
161.04576	0.6
161.08134	0.9
163.04012	3.0
167.03488	0.5
172.83163	0.3
173.04514	6.2
174.04846	0.7
175.04999	0.7
179.03502	3.4
179.05568	1.2
181.05031	4.2
181.08638	0.4
191.05641	3.3
205.00064	0.4
267.02960	0.5
296.03299	0.6
323.13443	100.0
324.13803	8.9
325.09637	0.6
325.13980	1.7
341.08438	2.6
342.09137	0.8
343.10168	1.7
353.08850	0.7
568.75348	0.3
605.14746	0.5
649.14520	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	667.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96254	0.5
55.35768	0.5
59.01373	8.2
70.46881	1.0
70.47238	0.7
71.01369	5.4
72.31706	0.5
85.02959	1.0
89.02430	5.3
93.03464	0.8
96.96002	2.9
98.20021	0.5
101.02446	2.4
107.05029	0.8
113.02448	2.0
117.03458	0.7
119.03522	2.0
119.05014	15.6
120.05415	0.5
134.03740	1.9
135.04514	88.5
136.04828	3.5
142.01012	0.5
163.03993	15.2
164.04344	0.7
173.04518	1.1
177.02025	0.5
179.03487	100.0
180.03845	4.5
191.05569	1.7
274.97406	0.5
280.56204	0.5
323.13422	9.8
323.16998	0.8
324.13824	5.4
325.09296	2.9
325.13950	5.1
341.08655	37.8
342.09042	3.3
469.65448	0.5
646.75244	0.5
662.51062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74688	0.3
55.01883	0.4
58.00582	0.9
59.01375	33.0
71.01376	17.7
71.61395	0.4
71.61771	0.4
72.99295	1.4
73.02904	0.5
74.21358	0.3
83.01372	1.1
85.02950	3.6
87.00866	0.5
89.02440	21.9
95.01382	1.5
96.96004	0.7
101.02440	13.0
107.06857	0.3
113.02442	7.7
119.03487	10.0
125.32694	0.3
131.03474	0.6
135.04510	5.4
143.03513	0.5
143.07140	0.5
149.04518	0.7
153.53160	0.3
161.04594	0.7
161.08182	0.7
173.04582	0.4
179.03479	5.0
179.05612	0.7
191.05605	0.6
209.62520	0.4
231.81552	0.3
243.06511	0.4
306.13980	0.3
323.13431	100.0
324.13776	5.9
341.08633	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	665.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
70.52512	2.5
71.01379	6.1
71.20264	0.9
73.02930	1.4
84.59306	0.7
85.02940	3.3
89.02441	3.2
93.03442	2.8
96.96024	1.3
101.02436	3.1
102.16235	1.0
109.02971	1.7
113.02436	2.9
114.67905	0.8
123.00888	2.8
125.02412	1.0
131.33110	0.8
137.02444	11.2
143.57672	0.8
149.02455	1.6
151.00349	16.9
151.03989	1.5
152.01019	1.1
152.04788	1.9
161.02394	1.4
165.01810	1.0
166.02695	52.1
167.03337	2.2
173.04524	3.5
177.01945	3.5
181.05051	58.1
182.05411	2.8
184.03682	1.0
186.87396	0.9
189.05594	1.1
190.06328	1.7
191.04041	1.2
191.05606	7.4
193.05008	1.2
205.05096	1.0
207.06654	1.7
217.52736	0.9
264.04950	0.9
359.11176	1.4
387.10837	14.8
388.11011	1.9
397.42566	0.9
400.43958	1.0
402.12946	6.7
417.15515	100.0
418.15768	12.3
539.02002	1.2
561.28943	4.7
562.29095	1.2
579.30145	5.1
621.30811	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	664.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.3
61.98817	1.2
69.45389	1.1
69.45801	3.4
78.95900	10.2
85.06570	2.3
87.10114	0.6
92.05154	0.6
93.03409	0.6
96.05628	0.5
96.95992	0.9
114.43761	0.6
133.18835	0.5
135.04498	1.0
144.51089	0.5
152.99559	3.5
157.48016	0.5
168.04277	2.3
191.05630	0.9
199.13351	1.2
218.07536	0.5
224.06906	1.2
242.07953	3.2
261.18488	1.1
279.19592	17.7
280.19934	0.9
293.21201	0.5
334.44644	0.6
341.17734	0.5
347.25800	4.2
348.26080	1.0
352.59183	0.5
363.25372	0.9
365.26898	100.0
366.27246	10.7
379.28665	0.8
519.26917	2.2
534.26929	0.6
590.34558	69.6
591.34796	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31575	0.3
55.95961	0.5
58.00579	1.3
58.17338	0.4
59.01377	35.5
60.01695	0.5
61.98808	0.5
63.56572	0.4
71.01379	19.0
72.99284	1.8
75.56627	0.4
83.01392	1.2
85.02953	4.4
87.00861	0.8
89.02437	23.3
89.03941	1.3
93.03427	0.9
95.01377	1.7
96.96012	3.9
98.20725	0.6
101.02439	15.0
101.04344	0.5
102.02821	0.4
102.86990	0.4
105.03447	1.1
113.02449	8.3
119.03493	9.9
120.03745	0.4
125.02459	0.6
131.03494	0.9
133.02971	4.1
134.03560	0.4
137.02431	1.5
143.03467	0.9
149.02444	0.9
161.04575	0.6
161.08134	1.0
177.01913	72.3
178.02251	3.1
179.05605	0.8
191.05583	1.6
276.58313	0.5
323.13449	100.0
324.13849	6.1
339.07205	11.6
340.07513	0.6
464.09372	0.5
574.03778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.8
60.01711	0.5
66.59671	0.3
69.35556	1.1
69.35988	1.2
70.09208	0.3
71.01377	0.7
85.02975	0.5
88.88364	0.3
89.02469	0.4
93.03450	0.6
96.96008	0.7
99.08152	15.2
100.08469	0.4
101.02444	0.7
127.07649	10.9
128.07999	0.3
145.08702	100.0
146.09039	3.2
160.97565	0.3
173.04578	0.8
187.09756	43.8
188.10117	2.0
191.05663	1.1
227.03526	1.2
239.71646	0.3
255.02933	1.7
256.03943	0.3
284.03226	2.1
285.04022	2.2
298.67529	0.3
372.46793	0.3
431.09711	3.5
432.10107	0.4
663.29919	0.5
689.91602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72856	3.8
59.01371	19.8
61.98832	8.0
63.96206	5.0
71.01375	30.9
78.95902	10.3
78.98598	6.5
79.95734	8.9
80.96518	66.9
81.03469	4.5
82.96107	23.1
85.02977	7.4
87.00876	5.0
89.02458	20.9
94.98078	16.0
96.97670	7.1
101.02453	14.7
113.02445	13.9
119.03538	6.8
122.97569	7.4
144.13403	4.7
148.99106	5.3
164.98633	10.8
179.05620	9.9
216.89020	3.9
225.00761	20.2
226.01077	4.4
227.00327	8.6
277.21680	42.7
301.03979	5.2
323.09869	12.5
341.10751	23.4
403.68173	4.0
577.26843	81.5
578.26971	5.8
579.27002	100.0
580.26996	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	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10308	0.5
57.03448	1.6
59.01379	2.0
60.99298	2.1
61.98829	2.2
65.68912	0.6
67.01881	6.7
69.03458	2.2
71.01378	5.0
71.19450	1.4
72.35104	0.6
73.02937	1.1
73.04801	0.6
78.95907	0.6
79.95741	3.4
80.01405	0.6
80.96508	8.0
81.03451	1.9
83.01353	0.5
83.05018	1.3
85.02942	9.7
87.00860	6.8
93.03452	48.1
94.03802	1.4
94.98085	1.4
95.03049	0.6
95.05025	0.6
96.96008	5.3
97.02999	0.6
99.00874	1.2
99.04501	0.7
101.02442	1.2
105.03458	1.7
107.05015	1.1
108.02172	1.6
109.02954	2.3
111.00853	1.7
111.04526	7.3
121.02956	2.2
124.01661	4.2
125.02446	2.5
126.03202	1.3
127.03994	3.2
129.01970	1.0
132.02144	1.5
133.02950	9.9
134.03751	7.8
134.97511	0.7
135.04515	75.0
136.04832	3.3
137.02441	5.1
140.84584	0.6
143.03462	0.6
148.99142	0.8
150.03212	2.5
151.03989	6.7
152.98578	0.8
155.03450	3.2
160.01610	1.1
161.02414	6.0
164.98611	1.8
171.03029	0.9
171.10262	1.6
173.04530	58.8
174.03450	0.7
174.04889	2.3
177.01912	3.4
178.02698	4.0
179.03477	21.1
180.04111	1.2
189.05618	0.6
191.05592	100.0
192.05931	3.8
199.09776	0.6
201.11354	0.7
211.13351	1.0
215.05589	2.8
225.00743	3.8
247.20493	0.6
257.70422	0.6
269.11865	1.4
271.87396	0.6
290.07904	1.0
307.08279	3.9
308.09052	9.3
309.09515	1.0
309.20782	3.4
310.20984	0.6
351.07214	11.0
352.07913	10.2
353.08603	5.0
400.14999	1.1
425.23318	4.0
443.24429	8.0
444.24387	0.9
451.21585	2.7
469.22260	24.0
470.22607	3.4
471.15500	9.9
472.15729	1.6
487.23346	7.6
488.23502	1.1
643.26752	1.5
661.28497	51.7
662.28827	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05484	0.4
54.20364	0.3
55.65294	0.3
57.03429	0.4
59.01370	1.8
60.99286	0.6
61.98832	1.9
67.01891	2.6
69.03450	0.9
71.01382	2.5
71.22591	0.8
73.02943	1.0
78.95905	0.9
78.98620	0.5
79.95721	2.9
80.96507	5.7
81.03457	1.3
81.95300	0.7
82.95405	1.4
82.96082	1.1
83.05012	0.6
83.16042	0.4
85.02943	10.0
87.00876	3.3
87.04537	0.4
93.03448	18.9
94.03796	0.8
94.98082	1.7
95.05009	0.6
96.96008	2.1
99.04505	0.7
105.03459	0.6
108.02165	0.5
109.02977	1.9
111.00893	0.5
111.04505	3.4
112.06325	0.4
113.02403	0.6
121.02956	0.8
124.01607	0.5
125.02434	0.8
126.03200	0.4
127.03987	2.9
132.02147	1.9
133.02934	9.4
134.03748	3.5
134.97545	0.6
135.04515	26.0
136.04889	0.6
137.02454	3.6
139.03992	0.6
147.03082	0.3
148.99091	0.5
150.03189	0.7
151.03935	1.3
152.65059	0.5
152.98575	1.0
155.03473	1.8
158.03770	0.4
159.04532	0.4
160.01686	2.0
161.02431	15.9
162.02809	0.6
164.98576	1.0
170.64903	0.4
171.03020	0.8
171.10228	0.9
172.05284	0.6
173.04527	29.8
174.03197	2.0
174.04832	1.2
177.01907	2.1
178.02747	2.8
179.03474	7.4
183.04414	0.5
185.06152	0.5
187.03978	0.7
191.05585	100.0
192.05922	3.6
197.11852	0.6
199.03906	0.4
200.04718	0.4
206.99577	0.4
209.06146	0.5
211.03865	0.8
213.09430	0.4
215.05510	1.0
225.00731	1.9
227.00632	0.5
227.03453	1.1
253.05051	0.7
265.16000	0.4
269.11710	1.9
291.19708	0.5
307.08249	0.9
307.19113	0.9
308.08841	1.8
309.20660	3.9
351.07138	5.8
352.07742	2.0
353.08701	2.1
381.13327	1.4
382.14099	1.4
399.14276	2.8
400.15228	2.2
407.22324	0.7
425.23303	5.1
426.23779	0.7
443.24280	8.3
444.24753	1.4
451.21252	1.9
458.98825	0.4
469.22244	21.3
470.22620	2.8
471.15353	6.7
472.15720	1.6
473.15335	3.0
487.23358	2.4
488.23633	0.6
629.31470	1.1
643.26117	1.3
661.28339	23.5
662.28748	3.8
674.27289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05433	0.5
56.22861	0.6
57.03450	1.2
59.01378	3.0
60.99299	1.7
61.98823	2.9
67.01889	6.4
69.03434	1.3
69.41430	0.5
71.01369	5.0
71.20284	1.0
71.20628	0.7
77.51518	0.7
79.95730	1.8
80.96508	5.5
81.03448	1.7
82.95413	8.4
83.05033	1.2
83.91609	0.5
85.02949	9.9
87.00871	7.6
92.09356	0.6
93.03455	47.2
94.03789	1.1
94.98085	1.1
96.96024	3.4
99.00899	0.7
99.04520	1.2
101.02423	0.7
105.03469	1.5
107.05050	0.7
108.02149	2.3
109.02927	2.9
111.00861	1.2
111.04523	6.1
116.92864	1.5
119.05084	0.7
121.02980	1.5
123.04541	0.8
124.01630	4.4
125.02448	1.7
126.03230	0.8
127.03992	2.7
132.02185	1.4
133.02954	10.9
133.03879	1.1
134.03748	5.7
135.04520	74.8
136.04855	1.8
137.02438	6.6
150.03166	3.3
151.03987	6.8
155.03456	3.6
160.01614	1.3
161.02434	8.2
163.03981	1.1
164.98558	0.9
171.10277	1.1
173.04538	58.7
173.17302	0.6
174.03262	1.1
174.04857	1.6
177.01956	4.1
178.02692	3.8
179.03491	22.8
180.04022	1.2
191.05598	100.0
192.05928	2.9
193.56760	0.6
200.04726	0.7
215.05605	2.4
225.00662	1.1
269.11862	1.6
273.14890	0.6
279.84665	0.6
287.12885	1.4
290.07953	0.8
307.08255	4.1
308.08972	9.4
309.20782	2.8
320.02167	0.6
351.07208	9.7
352.07922	12.2
353.08759	5.0
381.13596	0.7
400.15253	1.1
407.22241	1.2
425.23260	4.6
443.24295	7.8
444.24634	0.7
451.21320	3.0
469.22260	23.4
470.22464	3.0
471.15466	7.6
472.15750	0.8
487.23343	7.8
601.34143	2.5
643.26526	1.4
661.28540	56.0
662.28900	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	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18526	0.4
53.15738	0.4
54.01968	0.4
55.01886	0.5
59.01088	0.7
59.01375	12.3
60.01685	0.5
61.98816	2.3
67.01883	1.0
69.03446	0.8
69.63995	0.5
70.56788	0.4
70.64034	0.5
70.95405	1.0
71.01369	4.4
73.02953	2.2
78.81569	0.4
78.95897	0.9
79.95729	1.0
82.43258	0.5
83.01379	1.0
83.05035	1.1
84.88435	0.4
85.02940	14.1
87.00880	3.0
89.02434	1.7
93.03449	8.1
96.95999	39.5
98.95580	1.7
99.00866	0.5
99.04521	1.3
101.02412	1.8
107.05059	0.4
109.02943	1.5
111.04521	2.9
113.02438	1.2
115.07580	0.4
116.92836	1.7
120.08106	0.4
125.02409	0.8
125.09634	0.5
127.04002	3.9
137.02411	1.2
152.99515	0.6
159.04488	1.9
161.02428	1.7
161.04535	0.6
171.02951	0.6
171.10225	1.6
172.05278	1.4
173.04523	8.3
173.05971	0.9
174.03192	1.1
177.01939	1.4
183.04485	2.2
185.06007	1.3
187.04071	2.3
189.01845	0.8
191.05585	100.0
192.05943	3.9
197.11848	1.2
199.04025	3.6
201.11136	0.6
209.11830	2.1
211.04031	1.1
212.04689	1.0
213.05507	1.4
215.12820	1.1
217.08434	0.4
222.06799	0.6
224.40366	0.5
227.03485	4.1
227.10725	3.3
227.12741	0.6
229.04965	0.9
229.08569	0.8
229.14473	0.8
240.04166	1.5
241.10759	0.6
249.44376	0.5
251.10846	0.6
253.04991	4.6
266.05844	1.4
267.10358	0.6
269.11810	0.7
271.09845	0.7
281.11890	0.7
331.02560	0.5
356.16422	0.6
359.14841	0.5
381.13391	6.1
382.14102	6.0
383.14828	0.5
395.14246	0.5
397.13132	1.4
399.14410	12.9
400.15198	16.6
401.15707	2.2
403.19562	0.5
407.22214	1.5
425.23303	3.2
426.23459	0.5
427.21396	0.8
443.24515	2.3
451.21179	2.4
469.22229	47.2
470.22571	6.1
473.15494	0.5
563.21149	0.6
564.21454	0.7
611.23688	0.7
617.26819	0.7
617.33893	8.4
618.34369	1.1
625.26563	0.6
640.24060	0.5
661.28369	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	661.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.6
61.98829	1.8
67.01883	1.1
68.37420	0.4
71.01372	5.9
71.63652	0.8
72.99293	0.7
73.02940	3.5
78.95898	1.0
79.95729	1.9
81.03475	0.7
82.95391	0.6
83.01385	1.0
83.05020	0.7
85.02949	12.3
85.03446	1.0
87.00887	3.0
89.02425	1.5
93.03446	8.8
96.96005	46.0
98.95572	1.8
99.04504	1.1
101.02424	2.6
109.02967	1.2
111.04532	3.2
113.02441	2.3
116.92831	1.4
119.03473	0.5
125.02389	0.7
125.34938	0.6
127.03998	2.0
128.72301	0.5
133.05046	0.9
135.04520	0.8
137.02446	1.3
143.03632	0.5
155.03519	0.9
155.10953	0.6
159.04504	2.2
161.02440	1.6
161.04504	0.5
171.03040	1.0
171.10155	1.0
172.05289	1.5
173.04549	8.6
174.03271	1.3
174.06888	0.5
177.01930	0.9
183.04504	1.3
185.06013	1.0
187.03999	2.0
191.05595	100.0
192.05914	3.6
197.11821	1.9
199.03938	2.7
201.05569	0.8
209.05986	0.5
209.11812	2.1
211.03995	0.9
213.05498	0.9
215.12804	1.4
222.06793	0.8
225.05385	0.8
227.03464	4.6
227.07042	0.7
227.10735	3.0
228.04086	0.8
229.04973	0.9
229.14331	1.0
238.06354	0.7
251.10684	0.8
253.05069	4.3
266.05972	0.8
269.11725	1.3
319.12701	0.6
323.01056	0.6
337.14557	0.6
356.16214	1.2
381.13342	3.8
382.14139	4.3
390.21649	0.5
399.14459	10.1
400.15192	16.4
401.15771	1.4
407.22498	1.5
425.23282	2.9
426.52124	0.6
443.24142	3.5
451.21307	1.5
456.32910	0.7
469.22244	43.7
470.22644	6.3
487.24268	0.6
617.25983	1.2
617.34009	8.5
618.33807	0.8
661.27802	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	660.324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
59.01374	77.8
59.97236	1.3
61.98823	9.3
68.99543	1.5
71.01376	19.1
71.05017	3.3
71.63111	2.5
73.02943	11.8
78.95920	3.8
79.95728	3.8
80.96521	1.8
82.95405	3.1
83.01392	3.5
84.16966	1.4
85.02966	10.3
87.00877	2.7
89.02409	7.5
93.03443	10.5
95.05074	1.5
96.96004	100.0
98.95579	4.3
99.00866	1.7
101.02435	14.3
111.04520	2.8
112.93783	1.3
113.02435	7.2
115.07643	5.6
116.92864	3.3
119.03506	2.9
123.39860	1.5
125.09766	2.0
135.04541	2.3
137.02432	2.3
138.05594	1.5
152.99622	2.4
155.03555	2.0
155.10753	2.2
156.10260	3.2
158.11816	6.8
161.02451	1.5
161.04550	3.4
169.12347	4.5
171.10245	2.4
173.04568	15.5
174.04871	2.2
174.27846	1.4
191.05605	28.7
192.06004	3.5
197.11807	2.8
209.11794	4.6
209.15399	1.6
209.18942	1.5
211.13332	5.5
229.14404	1.6
253.09219	2.1
302.16135	1.5
320.17053	1.6
406.60681	1.7
412.26880	15.5
413.27072	2.4
468.20853	3.0
486.30035	1.8
487.22736	1.8
574.32684	2.7
598.32257	4.4
616.33313	90.7
617.33673	14.2
628.24561	2.3
660.26428	3.7
660.36963	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	660.324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
59.01374	77.8
59.97236	1.3
61.98823	9.3
68.99543	1.5
71.01376	19.1
71.05017	3.3
71.63111	2.5
73.02943	11.8
78.95920	3.8
79.95728	3.8
80.96521	1.8
82.95405	3.1
83.01392	3.5
84.16966	1.4
85.02966	10.3
87.00877	2.7
89.02409	7.5
93.03443	10.5
95.05074	1.5
96.96004	100.0
98.95579	4.3
99.00866	1.7
101.02435	14.3
111.04520	2.8
112.93783	1.3
113.02435	7.2
115.07643	5.6
116.92864	3.3
119.03506	2.9
123.39860	1.5
125.09766	2.0
135.04541	2.3
137.02432	2.3
138.05594	1.5
152.99622	2.4
155.03555	2.0
155.10753	2.2
156.10260	3.2
158.11816	6.8
161.02451	1.5
161.04550	3.4
169.12347	4.5
171.10245	2.4
173.04568	15.5
174.04871	2.2
174.27846	1.4
191.05605	28.7
192.06004	3.5
197.11807	2.8
209.11794	4.6
209.15399	1.6
209.18942	1.5
211.13332	5.5
229.14404	1.6
253.09219	2.1
302.16135	1.5
320.17053	1.6
406.60681	1.7
412.26880	15.5
413.27072	2.4
468.20853	3.0
486.30035	1.8
487.22736	1.8
574.32684	2.7
598.32257	4.4
616.33313	90.7
617.33673	14.2
628.24561	2.3
660.26428	3.7
660.36963	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	659.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66334	0.4
59.01358	1.7
61.98815	1.0
63.96231	0.9
67.18878	0.6
71.01376	5.7
71.57990	0.7
71.58333	0.7
73.02937	0.7
78.69490	0.4
78.95895	12.7
78.98582	4.2
79.95723	6.1
80.96507	44.3
81.03453	1.1
85.02938	2.0
87.00859	1.9
94.98073	11.4
95.02480	0.5
95.99088	0.4
96.95989	0.7
96.96945	0.9
97.02967	0.8
101.02437	2.7
106.98080	1.8
122.97573	4.5
125.02438	2.8
127.04003	0.8
134.97548	3.3
136.51123	0.5
136.99110	1.0
148.99130	5.1
152.98570	4.2
152.99571	8.5
157.68805	0.5
162.95505	1.0
164.98599	10.2
165.98927	0.5
171.00630	6.1
172.13658	0.5
173.04491	0.8
179.00012	0.5
182.99635	1.8
191.05600	0.7
206.99721	2.6
207.87193	0.6
209.11865	0.7
225.00710	17.3
227.12158	0.5
243.01773	1.7
269.71747	0.6
277.21521	3.1
295.89102	0.5
299.04343	6.5
381.03323	1.3
431.21835	2.0
478.25873	0.5
517.65369	0.5
577.26788	100.0
578.27136	13.1
578.35992	0.7
599.24023	0.9
659.25720	3.7
659.42853	0.6
660.25415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03297	0.4
58.13681	0.4
59.01371	1.3
61.98814	1.6
63.96230	0.9
69.03445	0.7
71.01379	5.8
71.39598	0.8
73.02922	1.8
78.95897	5.1
78.98589	4.3
79.95730	7.2
80.96510	50.0
81.03444	0.8
83.01360	0.8
85.02921	2.0
87.00863	1.6
91.26013	0.4
94.98077	10.9
96.96028	1.0
97.02943	1.0
101.02435	2.8
106.98104	2.4
114.47108	0.4
122.97567	4.8
125.02453	2.7
134.97581	3.6
136.99129	1.1
148.99121	3.9
151.00404	0.5
152.98541	4.1
152.99716	2.0
162.95511	0.7
164.98621	9.9
171.00612	1.5
182.99715	2.2
183.01137	0.4
199.10049	0.4
205.96480	0.4
206.99634	2.9
210.53047	0.4
225.00719	17.6
226.01036	0.5
243.01746	1.7
277.21710	1.9
299.04388	5.9
317.04974	0.4
331.95703	0.4
381.03436	1.2
401.12717	0.5
407.20316	0.5
431.21844	0.8
561.88324	0.4
577.26801	100.0
578.27142	15.1
578.36310	0.8
599.23639	1.0
618.04022	0.6
658.80432	0.7
659.25903	1.8
659.35553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86506	1.4
55.01862	2.3
55.37968	1.5
57.03443	2.1
59.01377	98.5
61.98830	21.4
63.02384	1.7
67.01858	1.5
68.99555	3.7
69.03455	2.0
69.41956	13.5
71.01378	47.0
72.99293	3.4
73.02959	21.6
73.89150	1.5
78.95875	3.6
79.95708	2.0
80.96489	2.1
83.01385	6.0
84.24511	1.4
85.02940	16.5
87.00861	3.1
89.02432	36.7
93.03450	5.0
93.27959	1.5
95.01369	4.7
96.96011	31.7
97.02947	3.8
98.19769	3.0
99.00881	35.2
101.02428	24.5
107.01388	3.6
111.04520	2.1
112.98612	2.2
113.02455	22.1
119.03498	12.0
125.02407	6.0
125.81485	1.6
131.03491	6.7
135.04527	3.0
143.03471	3.5
149.04552	10.2
151.00343	20.8
152.01149	1.8
152.99567	4.6
155.03473	1.6
161.02496	2.0
161.04543	7.8
165.12933	1.9
170.88402	1.6
171.10248	4.9
173.04573	11.9
178.99855	16.9
179.05492	1.9
185.11821	2.3
191.05588	29.2
195.10144	1.7
199.03918	4.5
203.05553	3.9
207.10298	2.8
209.11823	21.5
210.12146	2.8
211.13464	13.8
225.11316	3.6
227.03435	3.8
227.12852	2.5
233.06656	3.8
233.15508	2.0
235.08282	2.0
241.01326	1.9
243.02898	4.8
253.09113	2.0
255.02902	5.4
262.10809	1.7
271.02463	16.2
299.01923	45.0
299.10153	1.9
300.02695	22.3
313.03320	2.6
314.04086	1.8
340.05807	1.8
353.06537	4.2
403.24744	2.6
445.07800	5.3
446.08450	20.7
451.57935	1.7
481.14996	2.8
481.27988	2.1
482.15628	3.3
511.15869	18.0
512.15979	3.4
535.29004	2.9
553.30182	5.7
571.31232	27.3
572.31348	5.1
581.24255	4.8
595.31061	5.6
613.32190	100.0
614.32379	13.6
657.21875	42.4
657.34052	6.5
658.22247	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	1.2
59.01374	16.0
69.03458	1.0
70.04858	2.9
71.01376	12.6
72.99294	1.5
73.02931	2.4
75.00856	0.7
80.02664	1.8
80.96508	0.9
81.03445	1.9
83.01385	2.6
83.05013	5.2
84.02168	0.8
85.02948	3.6
87.00873	3.5
89.02429	12.6
93.03481	1.0
95.05002	0.7
96.96008	3.2
97.02921	1.7
98.19900	0.8
99.00858	1.2
101.02435	9.2
111.00857	1.1
113.02444	5.6
117.71156	0.7
119.03474	3.1
125.02457	4.8
131.03584	0.9
133.06905	2.4
135.08138	0.8
143.03448	2.1
151.00383	1.1
161.04533	2.7
163.11256	4.5
165.12808	3.5
172.56937	0.7
173.04521	1.5
179.05605	3.2
191.05614	4.3
191.10760	2.0
209.11801	100.0
210.12099	6.3
217.81708	0.6
227.12857	20.1
228.13190	1.3
235.08240	6.5
236.08914	0.8
244.99538	0.7
253.09187	0.9
259.15533	3.7
265.26749	0.7
287.07712	1.0
305.08707	1.5
323.09961	0.8
397.13455	44.6
398.13861	3.4
412.42654	0.9
415.08920	1.2
415.14490	22.7
416.14862	1.9
597.27393	1.5
607.26459	1.7
615.28625	0.9
657.24683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86345	1.3
59.01364	7.5
59.20246	1.1
59.75675	1.0
61.98827	2.2
67.01876	1.7
71.01348	4.2
71.63242	1.2
78.95881	8.1
79.95701	1.5
80.05045	11.7
80.96522	1.4
85.02937	1.8
85.64614	1.0
89.02441	2.6
93.03434	4.9
94.02977	1.9
94.06595	4.4
96.04511	1.4
96.95998	18.0
96.96939	2.1
102.40575	1.3
104.05073	6.0
106.06570	2.9
108.04559	1.5
111.04485	1.8
113.90565	1.1
118.06577	1.7
121.02945	1.6
121.05306	4.8
122.02428	2.5
123.03156	1.2
124.04018	9.1
124.07604	2.0
125.02462	1.4
130.06592	1.6
134.03720	1.4
135.06303	1.2
136.04016	6.6
136.07674	34.6
137.02409	3.7
137.07957	1.8
148.04018	8.6
148.07643	4.7
151.00331	2.9
152.99583	7.5
153.04272	4.6
160.03986	4.1
162.04266	1.6
166.08711	53.2
170.98094	1.2
173.04549	8.4
174.05524	4.7
178.99802	2.4
183.13884	2.5
187.08664	2.4
188.10687	1.8
190.05046	5.8
191.05518	6.3
193.04947	1.6
198.08369	1.2
209.04585	1.2
213.10292	6.8
215.08276	10.6
215.11832	5.0
225.06693	1.8
227.08192	4.5
228.08841	3.3
239.08174	2.7
241.01172	3.0
241.09790	49.9
242.10080	3.7
243.11357	15.0
244.11539	1.3
251.08075	2.0
253.09689	4.0
255.11302	1.9
259.10828	3.0
259.14368	7.5
263.08258	1.8
265.09781	2.6
267.11307	2.2
275.10205	2.0
277.09689	1.4
278.10538	1.4
285.12259	3.5
287.10336	48.4
288.10638	4.2
295.10886	10.8
295.56189	1.3
296.11206	1.7
309.12225	1.4
313.13202	1.7
317.11642	1.6
327.13474	14.2
332.13910	2.0
334.15436	4.0
337.11630	1.4
339.13376	2.1
341.12869	1.6
341.23181	4.1
342.12445	2.0
345.11032	1.9
346.11734	3.7
355.07129	1.4
358.11621	1.7
358.15479	4.9
360.13562	8.4
367.10260	2.1
370.07883	2.0
370.15244	1.4
371.12216	1.3
372.09723	4.8
374.14917	4.4
381.14285	3.4
386.11176	5.3
387.12109	7.5
401.13687	3.1
402.09695	1.7
402.14529	28.7
403.14801	2.7
414.14441	4.6
456.19547	1.4
511.23215	2.2
513.24597	4.2
521.21991	1.4
537.24719	4.1
539.22833	4.2
581.23969	100.0
582.24268	16.9
584.22467	1.5
607.21722	1.6
613.26642	15.7
614.26685	2.8
625.22894	79.5
626.23169	12.7
639.24384	2.4
657.25714	79.8
658.26154	13.3
662.62195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.1
61.98823	2.8
63.60813	0.8
65.44891	0.8
68.99830	2.3
69.33923	8.8
71.01363	3.8
75.08440	0.8
79.95711	1.2
80.05051	10.9
80.96505	1.3
85.02950	2.0
86.83231	0.9
89.02435	1.5
93.03444	1.7
94.02986	1.8
94.06631	5.4
96.04517	1.7
96.96005	30.9
101.02430	2.0
104.05019	5.5
106.06599	2.4
108.04539	2.8
113.02463	1.5
120.08117	1.0
121.05314	4.9
122.02486	2.1
123.03268	1.1
124.04042	8.4
124.07655	3.8
130.06595	1.5
132.04524	1.8
134.06053	1.2
136.04036	7.3
136.07664	28.1
137.08028	1.1
146.06076	1.9
147.54205	1.0
148.04041	7.1
148.07718	5.0
149.04588	1.1
153.04286	4.2
160.04031	6.0
162.04279	3.4
164.07140	1.7
166.08717	46.9
167.09070	2.2
173.04517	3.8
174.05579	5.0
186.05486	1.1
187.08760	3.5
190.05087	3.0
191.05585	4.3
211.75882	1.0
213.06694	2.7
213.10301	8.4
215.08240	13.4
215.11787	7.7
216.10181	0.9
223.08777	1.7
225.06668	1.8
225.10269	1.3
227.08197	4.5
228.08888	3.0
229.09831	1.1
237.10381	1.2
239.08229	2.0
241.09807	37.9
242.10075	2.7
243.11346	20.6
244.11739	1.6
249.15138	1.0
253.09776	4.1
259.10593	2.8
259.14471	7.5
263.07959	0.9
264.08884	1.2
265.09811	2.2
267.11295	2.7
277.09680	2.9
278.10498	2.0
279.11279	1.7
285.12378	2.5
287.10330	58.2
288.10626	3.9
293.09225	1.4
295.10864	12.5
297.12173	1.5
309.12469	1.4
315.14682	0.9
316.10782	1.4
318.12448	2.0
318.72910	1.1
327.13409	13.2
330.08804	1.7
332.14087	2.3
333.14700	1.8
334.15594	3.0
337.11523	1.1
339.13660	2.6
342.12332	2.8
344.10333	1.6
345.11169	1.7
346.11801	4.3
346.15521	1.4
358.11908	1.7
358.15625	3.7
359.12787	2.3
360.13525	9.3
369.14642	1.4
371.12466	1.8
372.09528	5.0
374.15079	5.3
384.13736	1.2
386.11099	4.4
387.12042	8.0
388.12320	1.5
401.13593	3.2
402.14481	22.1
403.14822	3.1
414.14664	3.6
439.13345	1.0
456.19089	2.2
511.23334	2.1
512.23578	1.3
513.24915	3.1
537.24945	3.4
539.22968	6.6
540.23608	1.3
555.22394	3.9
563.23315	1.7
581.23999	82.9
582.24268	13.9
584.22375	1.3
607.21777	1.2
613.26648	9.0
614.26624	2.7
625.22931	75.7
626.23077	16.2
657.25531	100.0
657.34735	7.2
658.25836	18.5
658.35693	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	657.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86345	1.3
59.01364	7.5
59.20246	1.1
59.75675	1.0
61.98827	2.2
67.01876	1.7
71.01348	4.2
71.63242	1.2
78.95881	8.1
79.95701	1.5
80.05045	11.7
80.96522	1.4
85.02937	1.8
85.64614	1.0
89.02441	2.6
93.03434	4.9
94.02977	1.9
94.06595	4.4
96.04511	1.4
96.95998	18.0
96.96939	2.1
102.40575	1.3
104.05073	6.0
106.06570	2.9
108.04559	1.5
111.04485	1.8
113.90565	1.1
118.06577	1.7
121.02945	1.6
121.05306	4.8
122.02428	2.5
123.03156	1.2
124.04018	9.1
124.07604	2.0
125.02462	1.4
130.06592	1.6
134.03720	1.4
135.06303	1.2
136.04016	6.6
136.07674	34.6
137.02409	3.7
137.07957	1.8
148.04018	8.6
148.07643	4.7
151.00331	2.9
152.99583	7.5
153.04272	4.6
160.03986	4.1
162.04266	1.6
166.08711	53.2
170.98094	1.2
173.04549	8.4
174.05524	4.7
178.99802	2.4
183.13884	2.5
187.08664	2.4
188.10687	1.8
190.05046	5.8
191.05518	6.3
193.04947	1.6
198.08369	1.2
209.04585	1.2
213.10292	6.8
215.08276	10.6
215.11832	5.0
225.06693	1.8
227.08192	4.5
228.08841	3.3
239.08174	2.7
241.01172	3.0
241.09790	49.9
242.10080	3.7
243.11357	15.0
244.11539	1.3
251.08075	2.0
253.09689	4.0
255.11302	1.9
259.10828	3.0
259.14368	7.5
263.08258	1.8
265.09781	2.6
267.11307	2.2
275.10205	2.0
277.09689	1.4
278.10538	1.4
285.12259	3.5
287.10336	48.4
288.10638	4.2
295.10886	10.8
295.56189	1.3
296.11206	1.7
309.12225	1.4
313.13202	1.7
317.11642	1.6
327.13474	14.2
332.13910	2.0
334.15436	4.0
337.11630	1.4
339.13376	2.1
341.12869	1.6
341.23181	4.1
342.12445	2.0
345.11032	1.9
346.11734	3.7
355.07129	1.4
358.11621	1.7
358.15479	4.9
360.13562	8.4
367.10260	2.1
370.07883	2.0
370.15244	1.4
371.12216	1.3
372.09723	4.8
374.14917	4.4
381.14285	3.4
386.11176	5.3
387.12109	7.5
401.13687	3.1
402.09695	1.7
402.14529	28.7
403.14801	2.7
414.14441	4.6
456.19547	1.4
511.23215	2.2
513.24597	4.2
521.21991	1.4
537.24719	4.1
539.22833	4.2
581.23969	100.0
582.24268	16.9
584.22467	1.5
607.21722	1.6
613.26642	15.7
614.26685	2.8
625.22894	79.5
626.23169	12.7
639.24384	2.4
657.25714	79.8
658.26154	13.3
662.62195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01380	2.1
61.98825	2.2
63.02385	6.6
65.00315	7.8
66.04489	0.4
67.01855	0.5
68.14417	0.4
69.40008	3.7
71.01379	1.6
71.37421	0.4
73.48324	0.5
78.65341	0.5
78.95881	2.3
79.95744	1.5
80.36745	0.4
80.96510	1.4
81.03466	0.6
83.01385	6.6
83.05049	0.4
84.14629	0.4
85.02951	1.2
87.00848	0.8
89.02457	0.8
89.17274	0.4
93.03432	2.6
95.01405	1.0
96.95432	0.9
96.96010	9.8
96.96968	0.6
98.19952	0.7
101.02422	0.8
107.01385	19.6
108.01741	0.6
109.02966	1.0
113.02448	0.5
116.37205	0.4
124.01637	2.7
125.02447	9.7
134.03732	0.5
135.00877	0.9
135.04507	0.6
136.07689	0.5
137.02417	1.3
142.35757	0.4
146.03711	2.2
151.00359	78.2
152.01152	7.4
152.99553	1.1
153.01952	2.3
159.04498	1.9
160.05321	0.8
163.00339	1.5
164.01132	0.6
166.08638	0.6
169.01404	7.9
171.10245	0.6
172.05241	1.0
173.04529	3.3
173.05943	1.1
174.06914	0.5
177.01854	0.8
178.99844	100.0
180.00160	3.8
181.01413	0.7
185.06042	0.6
186.06810	0.5
187.03951	1.4
188.04764	2.4
190.99850	1.0
191.05579	6.5
192.00516	0.6
198.06833	0.6
200.04692	2.5
201.05553	1.0
207.10187	0.4
209.11813	3.1
210.12129	0.8
211.04039	0.7
211.07623	0.5
211.13345	0.5
212.04913	1.0
214.02794	0.6
219.02930	0.4
224.04779	0.4
227.03477	0.7
232.03934	0.5
240.04285	0.6
241.01379	1.1
241.09790	1.1
243.03009	1.2
252.04301	0.7
255.02934	2.0
265.04852	0.6
269.11765	1.0
269.15463	0.6
271.02420	4.9
277.04825	0.5
283.13416	1.2
285.14993	0.7
287.10254	1.0
287.12982	0.7
291.06549	0.5
295.13348	1.4
296.03467	0.5
299.01978	2.1
300.02682	7.4
301.03214	0.5
311.12909	4.6
312.13107	0.7
313.14435	2.0
321.03815	0.6
322.04654	0.9
323.12762	1.1
329.14001	3.7
331.15469	1.0
341.13797	0.9
350.04202	0.6
355.11774	0.8
355.72849	0.5
367.11713	2.7
379.15579	0.5
385.12784	1.9
402.15005	0.5
407.14926	0.6
449.15900	0.5
492.14737	0.5
493.15045	5.4
494.15320	0.6
511.16013	29.5
512.16473	3.5
553.17194	0.6
581.24237	2.0
625.22626	1.6
657.21735	71.4
658.22046	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	657.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
58.71505	1.1
59.01377	8.1
59.24380	1.1
61.98809	2.6
63.02388	12.1
65.00314	9.1
71.01366	3.3
78.95885	2.8
79.95728	8.8
80.96493	3.4
82.47156	1.2
83.01383	8.9
84.18594	1.1
85.02941	2.4
87.00865	1.6
89.02428	2.4
93.03443	3.8
95.01373	1.9
96.96002	18.0
98.19796	1.7
101.02415	2.7
107.01392	18.8
111.00881	1.6
123.00849	1.5
124.01643	10.0
125.02445	19.1
130.04245	1.2
145.02908	1.4
151.00362	67.7
152.01154	23.6
153.01868	3.2
159.04453	2.0
160.05283	2.3
163.00323	2.7
169.01408	8.1
171.10265	1.7
172.05275	2.6
173.04495	5.8
173.05988	2.8
174.03142	2.2
178.99849	100.0
180.00133	3.8
186.06808	1.3
188.04745	2.4
190.02660	1.9
190.05127	2.0
191.05611	7.8
192.00609	1.5
197.06088	2.4
199.09654	1.6
201.05510	3.4
201.89233	1.0
209.11818	4.8
211.13385	1.9
222.06931	1.2
225.00636	1.6
225.05544	2.5
239.14180	1.5
240.04193	1.5
246.14803	1.1
249.05521	2.2
257.15488	1.9
267.13843	2.0
279.13919	2.4
285.14960	10.0
295.13364	2.3
299.01703	2.2
300.02612	2.7
303.15878	1.4
308.03085	8.0
309.03711	1.9
313.14386	7.8
323.12958	1.4
329.13879	2.7
330.14679	1.6
331.15451	16.6
336.02686	1.9
341.13904	22.4
342.14056	1.5
347.12421	1.1
355.11517	2.3
367.11795	18.1
368.12125	1.4
381.14313	2.1
383.14920	1.4
384.12164	3.6
407.14920	1.7
431.14752	2.0
447.14291	5.8
449.15558	1.5
475.13879	26.5
476.13907	3.3
483.16626	1.7
492.14212	11.6
493.15051	18.4
494.15451	1.9
505.20767	12.1
506.20862	1.8
511.15958	4.4
531.18652	28.8
532.19061	2.5
559.18164	1.9
587.87378	1.2
639.20551	5.8
657.21698	61.1
658.22260	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	657.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
57.67618	0.6
59.01372	4.6
61.98826	3.0
63.02388	6.4
65.00321	8.2
65.47795	0.5
66.84958	0.7
67.01880	0.7
69.76942	1.3
69.77348	2.1
71.01388	2.4
77.28612	0.7
78.95899	4.4
79.95750	2.6
80.96518	2.1
81.03463	0.7
83.01372	6.1
85.02955	1.2
85.60546	0.5
87.00854	0.7
89.02438	0.9
93.03438	2.9
95.01414	1.2
96.96008	16.4
101.02448	1.5
107.01376	16.4
109.02930	0.7
111.08141	0.6
113.02464	0.9
116.92827	0.7
124.01652	3.9
125.02441	10.8
135.04556	0.6
137.02411	0.8
146.03720	2.4
151.00354	71.5
152.01147	6.6
152.99582	1.9
153.01939	1.4
159.04515	1.6
160.05341	0.8
163.00381	0.7
169.01404	7.7
171.10208	1.3
172.05254	0.9
173.04544	3.5
173.05959	1.5
178.99838	100.0
180.00183	4.1
180.15181	0.6
180.44377	0.6
181.01517	0.7
183.04521	0.7
188.04752	2.6
190.02643	0.6
191.05574	7.7
200.04762	1.8
201.11285	0.7
207.10278	1.0
209.11804	3.5
210.12006	0.9
211.13184	0.8
212.04636	0.8
213.32094	0.6
214.02631	0.8
225.00793	0.9
225.11339	0.8
227.03386	0.9
232.03641	1.2
238.06314	0.8
243.03015	1.6
252.04277	0.8
253.09232	0.7
255.02911	3.0
256.03604	0.8
262.30649	0.7
269.11795	1.0
271.02533	5.3
272.03186	0.9
285.14972	1.0
287.10190	1.2
287.13016	0.8
295.13257	1.8
299.01938	2.5
300.02704	8.0
301.02850	0.7
311.12952	4.5
313.14389	2.0
321.03860	0.7
323.12875	1.0
329.13910	4.1
331.15613	1.1
339.12286	1.0
341.13654	1.8
355.11630	0.7
367.11725	3.4
385.12802	1.8
394.38477	0.6
395.14996	0.7
447.14444	1.2
471.15479	0.9
475.13962	1.8
492.14249	0.8
493.15076	5.8
494.15259	0.8
505.20651	0.8
511.16052	31.2
512.16510	4.2
531.18738	1.6
553.17108	0.9
581.24084	1.7
625.23584	1.4
657.21674	75.7
658.11713	1.1
658.22052	12.2
658.32312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
61.98827	3.8
63.02391	1.1
65.00307	3.4
68.99583	2.9
71.01376	3.2
71.63152	0.9
72.74547	0.5
78.95896	1.7
79.95739	0.7
80.96516	0.7
81.03458	0.7
83.01374	2.3
83.05014	0.6
85.02944	1.1
87.00845	0.7
89.02425	0.9
93.03452	2.6
95.04979	0.6
96.96005	7.7
97.06586	0.5
99.00871	0.9
101.02423	1.8
107.01382	7.4
111.00765	0.6
111.04487	0.6
112.98570	2.5
121.03007	0.7
124.01671	0.9
125.02437	3.7
134.03720	0.9
135.04506	0.6
136.05322	0.8
139.03986	1.8
151.00357	33.3
152.01135	2.7
152.99559	1.0
153.01932	0.8
159.04509	0.8
161.02365	0.8
163.00380	2.8
164.00876	0.7
169.01414	1.0
171.10255	1.6
173.04523	4.2
173.05971	1.2
178.99837	21.3
180.00137	0.8
187.03908	0.6
190.99826	1.3
191.05598	4.8
192.00626	1.7
192.05894	0.9
193.01453	1.3
199.04004	1.2
201.05504	1.1
207.10251	0.6
209.11809	11.9
210.12137	3.5
211.13533	3.0
213.05472	0.7
215.06998	0.6
219.02927	0.6
225.11209	1.4
227.03505	4.3
227.12758	0.9
228.04028	0.7
229.04947	0.6
241.04926	0.6
241.14519	0.8
243.03014	1.3
255.02940	5.8
256.03531	0.7
257.04471	1.3
269.04245	0.6
271.02478	4.0
284.03223	5.3
285.03909	5.4
285.14972	0.8
295.02460	0.7
295.06000	0.8
297.04166	0.7
297.07397	0.7
299.01959	6.0
300.02640	7.6
301.03278	0.9
311.05603	0.7
313.03500	7.1
313.14078	0.7
314.04272	2.8
325.03445	1.9
327.05017	0.9
339.05087	0.8
340.05670	5.8
341.02756	2.6
342.03787	1.9
346.03131	2.5
353.02866	2.0
353.06604	10.6
354.07126	1.7
367.04227	1.4
367.08279	1.4
381.05707	2.9
423.14249	0.7
437.15884	0.9
438.16617	1.3
446.08447	2.8
465.15103	0.8
471.15359	0.8
481.15002	8.1
482.15689	5.9
483.16229	1.9
493.14899	1.8
495.16769	0.7
510.14987	3.3
511.16003	17.8
512.16290	2.2
551.26959	0.7
625.23517	0.7
657.21765	100.0
658.22107	18.4
658.33264	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	656.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08639	0.4
56.27030	0.4
58.38720	0.4
59.01355	0.5
61.98827	22.6
69.65800	0.9
69.66209	1.6
91.46125	0.5
93.03459	0.9
96.95998	0.6
107.01351	0.8
119.68967	0.4
121.40292	0.4
135.00821	0.7
151.00369	2.5
163.00356	1.0
185.06125	0.7
186.53012	0.4
187.04013	0.7
191.05502	0.6
209.11879	0.7
211.03999	0.9
213.05531	0.4
220.32343	0.4
227.03481	23.1
228.03848	0.9
229.05043	3.2
234.47537	0.4
239.03506	0.7
241.05005	0.5
255.02959	39.2
256.03513	4.8
257.04562	2.8
283.02435	0.7
284.03238	69.4
285.03943	29.3
286.04413	1.8
299.12231	0.5
302.10501	0.6
327.05017	1.1
593.15051	100.0
594.15399	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	657.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35957	0.3
59.01379	0.4
71.01389	1.4
71.57884	0.5
73.02953	0.6
81.03413	0.5
85.02953	1.9
93.03467	0.7
95.01379	0.7
96.96008	0.4
99.00854	0.5
101.02431	0.7
108.02166	46.6
109.02960	20.0
110.03289	0.5
113.02432	0.6
115.56171	0.3
115.92346	0.3
121.02928	0.9
123.00861	0.9
123.04485	0.7
135.04422	0.3
151.03986	1.3
152.01146	44.1
153.01938	26.3
154.02306	0.5
163.03995	0.9
165.01897	1.4
179.55061	0.3
180.46922	0.3
207.02911	0.3
309.06201	0.3
315.07184	100.0
316.07452	6.6
321.06686	0.3
559.55023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10017	0.5
58.80791	0.5
59.01134	0.5
59.01375	6.6
61.98825	23.0
71.01378	2.8
71.62746	0.9
73.02935	0.8
74.99084	0.6
79.94128	0.6
80.96490	1.0
85.02927	2.6
87.00845	1.1
89.02427	2.3
93.03438	2.3
94.06809	0.5
96.96008	3.4
97.02879	0.7
99.00838	0.9
101.02447	2.8
101.94831	0.6
107.01376	1.8
108.56102	0.6
109.02895	0.9
109.93097	0.6
113.02426	1.3
119.03489	0.8
125.02416	1.0
132.02200	0.7
135.00871	0.9
135.04495	0.8
151.00363	2.8
153.01889	0.9
159.04306	0.6
163.00342	1.3
163.11226	0.8
169.06548	0.8
173.04541	2.8
174.29254	0.6
178.99835	1.0
185.06029	0.8
187.03935	2.4
189.05547	0.7
191.05580	8.9
197.20924	0.5
209.11806	13.2
211.03918	1.8
213.05475	1.2
223.71680	0.5
227.03474	20.0
227.12779	2.9
228.03874	1.1
228.43666	0.6
229.05008	6.4
230.10181	0.6
239.03328	0.7
240.04170	1.4
241.04832	1.0
255.02953	34.8
256.03525	4.4
257.04544	5.0
267.02817	1.1
284.03226	51.6
285.03998	62.8
286.04340	4.3
327.05115	0.7
397.13416	7.0
415.14615	2.7
453.57822	0.9
466.23679	1.2
593.15021	100.0
594.15399	14.1
657.24640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01414	0.5
58.78091	0.6
59.01373	100.0
60.01708	1.0
61.98826	1.5
66.04163	0.5
71.01390	1.3
71.62906	0.9
78.95891	1.3
79.23602	0.5
85.01446	0.5
86.01459	0.8
96.99288	3.5
97.02947	1.0
101.00935	1.0
113.00967	1.1
117.00457	1.4
124.24389	0.5
125.00928	0.6
126.32118	0.5
131.01944	0.5
141.01685	67.7
142.02048	1.0
142.05103	2.4
167.02103	0.7
173.03113	0.7
184.99669	0.6
190.00563	0.5
201.02591	1.5
257.05209	1.2
275.06204	7.6
276.06717	0.7
277.21643	3.0
317.07416	2.0
335.08481	1.1
340.78159	0.7
359.22034	1.1
391.19531	3.7
535.27576	9.0
536.28015	1.9
595.29657	3.5
596.29932	0.7
615.72424	0.6
655.33478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23485	0.2
59.01374	1.1
62.70864	0.2
70.91375	0.2
71.01389	0.6
73.02950	0.4
79.95720	1.6
85.02930	1.2
87.00865	0.5
89.02454	0.3
93.03462	0.8
96.96005	100.0
97.95921	0.3
101.02413	0.3
107.05102	0.2
116.92813	0.3
129.01999	0.2
133.02963	0.3
135.04587	0.3
146.41026	0.2
155.03444	0.2
173.04561	1.2
191.05612	7.9
192.05922	0.4
202.86763	0.3
228.67418	0.2
270.32999	0.3
305.10611	86.3
306.10971	5.4
321.46933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05017	0.4
55.01871	0.5
57.03439	0.6
58.00586	0.4
59.01378	19.5
61.98826	2.4
66.84776	0.4
69.03453	0.6
71.01380	9.2
71.62946	0.4
71.63333	0.3
72.99312	0.6
73.02950	3.6
75.00845	0.5
78.95897	0.7
79.95746	0.4
80.02661	0.7
80.96496	0.8
81.03445	1.0
83.01385	1.1
83.05019	3.3
85.02955	3.1
87.00874	0.6
89.02440	7.2
93.03458	1.2
94.98104	0.4
95.01375	0.7
95.05049	0.4
96.96014	3.4
97.02970	0.5
99.00876	4.8
101.02439	5.9
109.02824	0.3
109.06586	0.6
110.84968	0.3
111.00826	0.4
113.02444	4.9
119.03510	2.2
121.06513	0.4
125.02419	0.7
125.06100	0.5
125.09689	0.6
131.03503	0.9
135.08104	0.4
137.02480	0.3
137.09676	0.7
143.03500	0.6
146.34837	0.3
149.04532	2.0
152.89476	0.3
161.04572	1.6
163.11249	3.3
165.12845	2.2
167.40233	0.4
171.10272	2.3
173.04565	2.0
179.05611	0.4
181.12292	0.9
191.05615	3.7
191.10803	1.0
203.05655	0.8
205.12331	0.3
207.10254	1.2
209.11812	100.0
210.12154	5.2
211.13376	1.3
225.11275	0.6
227.03578	0.5
227.12857	6.3
233.06693	0.6
235.08258	2.0
247.13275	1.6
249.14890	0.6
251.12827	0.3
253.09314	4.3
254.19122	0.3
255.02954	0.8
275.20117	0.3
284.03278	1.0
285.04047	0.5
383.22055	0.4
397.14972	0.7
401.23288	1.4
419.24127	1.9
419.63162	0.4
437.25867	0.6
445.20752	1.4
479.26340	0.8
551.28760	1.7
569.29681	7.3
570.30066	1.0
611.30652	20.5
612.31256	3.0
637.32208	3.7
655.33508	1.1
656.33685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10845	0.5
55.01886	0.8
57.03452	1.0
58.00589	1.9
59.01376	38.6
61.98822	13.8
69.03450	2.4
71.01377	36.8
71.01952	0.8
72.99301	3.3
73.02943	5.8
75.00854	1.0
78.95892	1.8
81.03451	1.7
83.01373	3.8
85.02944	7.7
87.00865	8.9
89.02438	33.2
91.04007	0.9
93.03455	0.9
93.30861	0.5
95.01389	2.2
97.02950	6.3
99.00861	2.4
101.02439	29.5
109.02953	0.7
111.04500	0.9
113.01686	1.1
113.02444	14.2
115.03991	0.8
119.03490	10.3
125.02435	12.9
126.02741	0.6
131.03500	1.8
133.05107	0.8
139.03981	1.0
141.01901	0.6
143.03493	6.7
149.04553	1.1
152.99609	2.4
161.04539	7.3
167.03503	0.7
179.05602	5.9
199.06059	0.7
217.07207	0.8
221.06705	2.7
235.08195	15.5
245.06720	0.8
253.09392	3.0
255.23268	100.0
256.23590	9.3
263.07767	1.3
277.09387	0.9
279.23215	1.2
287.07748	3.2
305.08752	4.9
323.09808	2.1
360.08011	0.6
379.12311	1.1
397.13470	97.7
398.13828	7.5
415.14529	32.3
416.14871	3.0
595.29132	2.0
606.41150	0.6
653.26074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
60.99303	0.1
61.98831	0.3
69.77275	0.5
71.01358	0.7
72.99320	0.1
73.02943	0.4
78.95895	1.4
79.95736	2.8
83.01366	0.2
83.05008	0.1
85.02940	0.4
87.00858	0.2
88.98794	1.1
89.02438	0.4
93.03448	0.3
96.96002	100.0
97.95940	0.2
98.20551	0.2
99.00874	0.2
101.02438	0.6
109.02943	0.1
113.02428	0.4
114.93372	0.2
119.03503	0.2
123.04521	0.2
134.54466	0.1
135.01221	0.1
135.04539	0.2
143.31711	0.1
161.04443	0.1
167.03522	0.4
171.00583	0.6
173.04565	0.7
177.45656	0.1
190.66406	0.1
191.05626	1.0
209.08244	0.1
209.11845	0.5
227.12869	0.4
315.18234	0.1
411.27310	0.1
493.24347	0.5
511.25522	0.6
653.36353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
61.98816	0.4
68.85506	0.1
70.82415	0.4
71.01378	0.9
73.02948	0.4
73.19199	0.1
78.95898	0.6
79.95733	3.4
80.96542	0.1
81.03450	0.1
83.01369	0.2
84.16893	0.1
85.02946	0.5
87.00874	0.1
88.98796	0.5
89.02448	0.4
93.03430	0.7
96.96005	100.0
97.95949	0.4
101.02435	0.6
113.02419	0.3
114.93395	0.1
137.02457	0.2
143.03508	0.1
157.12311	0.4
171.00679	0.2
173.04573	0.7
174.05110	0.1
191.05574	1.2
209.11774	0.5
227.12857	0.3
335.54855	0.1
451.23499	0.2
481.24371	0.2
511.25635	1.2
653.33746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
61.98816	0.4
68.85506	0.1
70.82415	0.4
71.01378	0.9
73.02948	0.4
73.19199	0.1
78.95898	0.6
79.95733	3.4
80.96542	0.1
81.03450	0.1
83.01369	0.2
84.16893	0.1
85.02946	0.5
87.00874	0.1
88.98796	0.5
89.02448	0.4
93.03430	0.7
96.96005	100.0
97.95949	0.4
101.02435	0.6
113.02419	0.3
114.93395	0.1
137.02457	0.2
143.03508	0.1
157.12311	0.4
171.00679	0.2
173.04573	0.7
174.05110	0.1
191.05574	1.2
209.11774	0.5
227.12857	0.3
335.54855	0.1
451.23499	0.2
481.24371	0.2
511.25635	1.2
653.33746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99687	0.7
57.03438	1.4
58.00578	0.7
59.01376	52.9
61.98825	48.7
66.91824	0.6
69.33514	4.3
69.33915	1.0
71.01377	27.3
72.99306	1.1
73.02943	17.0
76.67079	0.7
77.26768	0.6
83.01363	2.5
85.02946	9.7
85.70710	0.6
87.00861	1.3
89.02438	21.7
95.01366	2.1
96.96012	1.3
97.02943	1.5
99.00874	48.8
100.01210	0.9
101.02437	13.4
105.33118	0.6
113.02442	15.1
114.93674	0.7
119.03468	2.8
125.02414	2.9
131.03499	5.7
143.03525	3.6
149.04541	24.1
155.03481	1.4
159.02925	1.5
161.04552	7.2
162.04932	0.7
191.05592	21.7
203.05591	9.0
209.15366	0.9
233.06638	7.5
293.08777	0.9
335.09912	2.2
353.10916	0.7
371.20358	0.6
389.17917	0.6
413.21790	0.9
503.24951	11.3
504.25323	1.4
545.25964	100.0
546.26373	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	652.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56970	0.5
55.01872	1.5
56.82621	0.7
57.03432	1.9
59.01375	45.6
60.01702	0.9
61.98825	23.3
62.35014	0.6
67.39930	0.6
69.03468	0.5
69.24227	5.6
71.01380	17.1
72.99340	0.6
73.02944	8.1
81.54857	0.6
83.01371	2.3
85.02944	8.8
87.00867	1.7
88.98794	1.0
89.02437	6.5
93.03460	1.1
95.01363	1.7
96.96009	4.9
97.02921	1.1
99.00875	7.4
99.55861	0.5
101.02440	13.1
101.37280	0.5
106.67259	0.5
111.00849	0.7
113.01686	0.8
113.02441	8.4
115.04070	0.5
119.03503	1.2
124.90277	0.5
125.02428	1.9
131.03476	0.8
137.09726	0.7
143.03470	1.7
149.04526	0.9
159.02971	2.0
161.04561	7.6
164.02010	0.5
173.04567	1.1
191.05592	2.7
209.15456	6.3
260.56662	0.6
271.91986	0.6
305.17709	0.9
353.19739	2.2
371.20685	7.6
413.21790	3.9
460.17145	0.8
472.17212	1.1
485.23868	1.4
503.24905	11.7
503.31555	1.1
504.25351	1.3
545.25970	100.0
546.26306	14.1
661.97217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12456	0.2
55.56425	0.2
59.01373	1.1
59.34966	0.2
66.94323	0.2
71.01366	0.7
71.20666	0.5
73.02950	0.2
77.12209	0.2
85.02921	0.2
87.00887	0.3
92.18136	0.2
93.03460	0.9
93.07761	0.2
93.70641	0.2
96.96001	2.8
101.02431	0.3
113.02450	0.2
119.05016	95.6
120.05363	2.9
135.04533	1.2
161.04550	0.2
163.03992	100.0
164.04330	3.9
173.04504	0.7
174.84647	0.2
179.03482	1.4
191.05609	0.9
193.04996	0.2
252.85892	0.2
318.55557	0.2
325.09253	13.7
326.09735	1.1
341.08673	0.5
531.24280	0.4
591.26855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00764	0.5
55.01867	1.0
57.03440	1.5
58.00574	1.6
59.01375	34.0
61.98812	1.7
63.13522	0.5
68.99805	0.7
69.03445	1.9
71.01377	30.8
71.63223	0.7
72.99303	3.0
73.02936	4.9
75.00867	0.9
75.84454	0.5
78.95900	2.5
81.03438	1.6
83.01374	3.2
85.02943	7.2
87.00869	7.9
89.02437	28.0
91.03990	0.8
93.03462	0.8
95.01370	1.4
97.02945	5.9
98.67070	0.5
99.00872	1.7
101.02441	25.2
109.02909	0.5
111.00893	0.6
111.04523	0.9
113.02439	12.7
113.46555	0.5
119.03501	9.3
121.02933	1.0
123.04467	0.5
125.01519	0.6
125.02434	11.0
127.04015	0.7
131.03514	1.1
139.04037	0.6
141.01904	0.6
142.27425	0.6
143.03484	5.7
147.73195	0.5
149.04526	0.9
152.99564	2.6
161.04529	6.2
167.03490	1.0
169.05023	0.7
179.05612	6.2
185.04498	0.8
199.06148	0.7
217.07135	0.8
221.06670	2.4
235.08183	11.6
236.08569	0.7
241.01140	0.7
241.42592	0.6
244.70607	0.6
253.09390	2.4
253.21693	100.0
254.22025	7.6
263.07718	1.4
277.09238	1.1
277.21661	1.6
287.07739	2.3
305.08728	4.8
323.09842	1.9
397.13455	83.4
398.13782	6.2
415.14523	31.5
416.14920	2.0
593.27234	3.1
651.36462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
58.00591	1.6
58.71825	0.6
59.01374	59.8
60.01719	0.8
61.98829	29.0
65.00336	0.7
69.03454	1.4
71.01376	45.4
72.01704	1.0
72.99310	2.2
73.02941	22.5
81.03451	1.7
83.01376	2.4
85.02950	4.3
89.02438	67.4
92.13441	0.8
93.03436	1.1
95.01371	1.3
96.95998	2.9
97.02925	2.0
99.00871	83.3
100.01220	1.6
101.02435	10.0
107.01410	0.9
113.02444	13.6
115.74374	0.9
119.03490	1.3
119.04947	1.2
125.02438	9.5
127.04041	1.1
131.03487	19.1
143.03453	8.0
149.04541	100.0
150.04881	1.8
151.00330	1.3
151.03902	1.2
155.03465	6.1
161.04553	4.9
173.04520	1.5
191.05594	43.6
192.05887	1.2
203.05602	28.4
204.05826	1.1
230.95190	1.3
231.19164	0.7
233.06631	31.1
234.06995	1.4
251.07799	1.1
271.05927	0.8
275.07751	2.0
335.09766	14.5
336.10281	1.0
338.33368	0.9
353.10800	5.5
459.62271	1.0
607.16583	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	650.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32681	0.3
58.46341	0.3
61.98826	100.0
67.07583	0.4
71.35499	0.5
74.50673	0.3
78.95904	5.2
91.33864	0.3
96.96971	0.4
125.47824	0.3
152.99574	2.9
165.74107	0.3
186.70975	0.3
199.56519	0.3
203.11073	0.3
208.03262	0.3
209.11742	1.7
227.12921	0.4
255.23236	4.7
255.25774	0.4
391.22620	1.1
409.23611	0.8
432.01923	0.3
476.46173	0.3
619.36108	3.1
651.38910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.9
59.01378	40.6
60.01704	1.5
67.13210	0.7
71.01377	24.9
71.01978	1.0
71.31593	1.0
72.01723	1.4
72.71729	0.6
72.99305	1.7
74.59942	0.6
76.41861	0.7
78.95867	0.8
83.01382	1.1
85.02948	4.1
87.00872	1.2
89.02440	25.9
89.02990	1.7
90.02753	0.8
93.03465	1.5
95.01395	1.7
96.46088	0.6
96.95999	18.7
98.95597	1.3
101.02432	16.6
102.02776	0.7
112.67110	0.6
113.02433	10.5
119.03505	11.0
119.04998	6.6
120.99620	0.8
131.03462	1.0
135.04518	10.3
136.04807	0.9
139.03972	0.8
143.03435	1.4
143.07108	1.0
161.08209	1.6
163.04008	7.4
173.04532	1.6
179.03474	9.0
179.05632	1.3
191.05608	4.6
198.97247	0.8
203.08334	0.9
208.09583	0.6
307.11816	3.2
310.82574	0.7
323.13434	100.0
324.13766	16.8
325.13977	8.9
326.14236	0.9
341.08585	3.5
422.28284	0.7
551.05566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.7
59.01373	67.0
61.98827	26.8
64.50069	1.7
65.00309	4.4
69.03437	2.0
70.44839	4.1
71.01376	47.2
72.99285	1.7
73.02949	22.0
81.03432	1.4
81.67410	1.6
83.01360	4.0
84.92000	1.4
85.02925	5.5
87.00868	1.6
89.02437	70.4
90.02750	1.8
90.12979	1.3
93.03477	2.7
96.95991	8.9
99.00875	79.6
101.02453	11.3
107.01373	4.5
113.02416	14.6
119.03548	1.8
119.05017	9.1
125.02426	10.7
130.57639	1.4
131.03477	17.6
135.04501	2.2
143.03497	7.4
145.02908	5.7
149.04538	100.0
150.04794	1.6
151.00352	15.6
155.03476	5.7
161.04526	3.6
173.04539	3.7
175.03925	2.0
191.03928	3.2
191.05589	46.1
203.05582	23.2
218.62990	1.4
228.28583	1.5
233.06642	28.6
234.01602	1.8
258.33752	1.6
271.06055	8.9
275.07578	2.5
277.96445	1.5
335.09760	15.9
353.10553	4.1
385.69891	1.6
487.10852	5.7
607.16632	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	648.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13564	0.2
61.98824	100.0
68.90315	0.3
70.46725	0.9
78.95908	0.6
85.55004	0.2
87.12857	0.3
101.12934	0.3
116.02717	0.3
146.61276	0.3
152.99586	0.3
233.56270	0.3
251.97171	0.3
274.98004	0.3
307.18973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81451	1.0
55.01876	2.4
57.03447	2.3
58.00594	1.8
59.01373	100.0
60.01727	1.5
61.98828	2.6
67.31328	1.0
69.03448	1.2
69.80256	4.9
71.01376	56.1
72.64276	1.0
72.99300	3.3
73.02940	21.9
79.63062	0.9
82.45192	1.0
83.01385	6.8
83.65073	0.9
85.02937	19.6
87.00874	3.7
89.02435	36.2
91.07439	1.0
93.03459	3.1
95.01376	4.6
96.95999	33.1
97.02919	1.6
97.44470	0.9
98.20623	1.1
99.00871	3.8
101.02431	31.5
111.04536	1.6
113.02437	36.9
116.81389	1.1
119.03495	17.6
125.02435	2.9
131.03471	2.5
135.04512	12.2
143.03488	6.7
143.04517	1.6
149.04555	2.3
161.04553	10.9
173.04495	6.5
175.57018	0.9
179.03500	3.8
179.05568	12.2
191.05592	10.8
197.04572	1.0
201.11276	3.1
209.11765	4.0
257.12875	1.2
286.01431	1.0
491.87955	1.2
504.01169	1.0
535.51971	1.2
543.28015	48.1
544.28198	5.6
561.20355	2.2
561.29071	43.9
562.29291	6.4
603.30603	6.1
604.30627	1.1
611.24377	4.9
637.53943	1.1
647.20837	1.7
647.32117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
56.76923	1.4
57.03436	3.7
58.00575	2.2
59.01376	93.6
60.01682	1.4
61.98828	25.6
67.01952	1.7
69.03408	1.6
69.61557	1.2
69.84434	7.6
71.01377	60.5
72.99296	2.4
73.02935	16.0
74.37748	1.2
74.44894	1.4
83.01373	9.1
85.02946	28.2
87.00877	4.4
89.02444	18.8
93.03465	6.4
95.01384	7.6
96.96002	15.9
98.20650	1.3
99.00882	7.2
101.02441	34.6
105.18193	1.3
111.00896	2.4
113.02441	29.0
119.03477	6.7
124.01654	2.2
125.02458	3.5
129.01920	3.2
135.04500	3.1
143.03456	4.7
151.00337	2.0
159.02963	3.0
161.04552	9.1
166.43456	1.4
167.03513	1.4
173.04517	5.5
179.03429	1.7
179.05602	3.0
191.05594	12.7
192.05914	1.5
201.11272	1.7
209.11731	2.2
314.07202	1.3
374.11304	1.7
381.22769	4.1
399.23804	8.4
505.33948	3.0
543.28033	100.0
544.28381	13.7
561.29138	75.8
561.36780	1.4
562.29333	12.5
582.82483	1.4
603.29895	12.7
604.31335	1.7
629.18024	1.6
664.37415	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	647.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54282	0.5
55.01870	0.5
57.03433	0.9
58.00587	1.2
59.01376	34.1
66.01572	0.4
69.79706	0.4
70.04528	0.4
70.62041	0.4
70.90268	0.4
71.01381	20.3
71.16696	0.5
72.99289	1.8
73.02948	0.6
76.28133	0.4
83.01398	1.2
85.02944	5.5
87.00867	1.5
89.02436	22.1
93.03454	1.7
95.01371	1.3
96.96009	7.9
99.08187	0.8
100.99044	0.4
101.02435	13.2
111.00831	0.5
111.04472	0.6
113.02450	8.6
115.54179	0.4
117.03432	1.0
119.03498	10.2
121.02943	0.6
121.69147	0.5
123.04517	1.0
131.03513	1.1
133.02953	3.7
135.04515	2.2
143.07176	0.6
149.04590	0.7
161.02431	68.0
161.08260	0.7
162.02783	3.4
173.04501	3.8
179.03473	2.6
179.05640	0.8
191.05594	24.3
192.05869	0.9
243.02502	0.5
265.80023	0.4
308.20319	0.4
323.13480	100.0
324.13831	6.7
341.08755	1.0
351.07272	0.9
353.08801	4.4
464.57986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69643	1.5
55.01870	3.4
57.03443	2.6
58.00582	1.8
58.10557	1.4
59.01376	100.0
60.99299	3.4
61.98823	4.5
65.12701	1.7
69.03418	1.7
71.01378	57.8
71.63278	2.3
72.01688	2.3
72.99297	3.5
73.02943	16.4
82.95386	3.3
83.01376	11.7
85.02940	34.7
87.00877	7.0
88.98807	15.7
89.02436	32.3
91.62922	1.3
93.03456	8.3
95.01367	6.1
96.96003	43.9
97.02931	4.9
98.95574	4.4
99.00865	7.9
101.02436	43.0
109.02263	1.6
109.02929	8.3
111.00833	1.9
113.02444	35.9
119.03485	11.2
125.02466	8.1
127.04004	2.3
131.03488	1.7
135.04539	2.5
139.40958	1.4
143.03476	8.5
146.03748	1.6
149.04488	2.2
151.00285	1.7
153.01906	1.4
159.03004	1.9
159.04416	2.3
161.02457	1.8
161.04541	13.3
173.04515	13.8
174.85866	1.6
179.05586	6.5
191.01942	2.8
191.05597	22.0
192.05927	1.5
203.05493	1.8
221.06670	3.0
229.01343	2.6
267.06454	7.8
268.07355	8.5
331.19098	2.0
338.04129	3.5
342.02942	1.4
365.13800	3.3
379.21231	2.1
397.22269	6.7
409.12653	4.1
435.10498	7.4
439.23322	4.9
482.52417	2.0
541.26477	24.8
542.26685	2.7
559.27570	46.4
560.27899	5.5
601.28564	99.1
602.29126	14.0
627.17090	9.0
628.16681	2.2
645.28802	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	645.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.2
59.13392	0.4
59.15949	0.4
65.00349	0.6
65.71327	0.4
70.02856	0.7
70.03237	1.2
73.02948	1.3
83.01382	1.1
85.02953	0.8
89.02471	1.1
93.03448	1.0
96.96004	4.8
98.19942	0.6
100.29723	0.4
101.02438	1.3
107.01383	1.9
110.39690	0.4
113.02432	0.8
135.00883	0.7
151.00348	3.3
153.53749	0.5
163.00356	1.4
173.04518	1.6
178.99818	0.7
183.04549	0.6
185.05962	0.6
187.04004	1.2
191.05629	3.5
197.05948	0.5
199.04092	0.7
211.04060	1.4
213.05484	1.1
219.02975	0.6
227.03479	29.4
228.03957	2.0
229.05077	4.6
239.03592	0.8
241.05052	0.7
250.36053	0.4
255.02960	52.5
256.03494	6.0
257.04559	2.8
283.02429	1.7
284.03226	79.4
285.03967	36.7
286.04333	1.9
300.21796	0.5
327.05383	0.7
358.84399	0.5
429.08075	1.1
559.27356	0.8
609.14526	100.0
610.05682	0.9
610.14905	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	643.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32035	0.6
57.12500	0.6
59.01376	9.3
59.63872	0.6
61.98827	10.7
63.96249	0.7
67.01865	1.0
71.01375	10.8
71.63283	0.8
73.02958	3.0
78.95890	1.6
78.98574	5.0
79.95730	12.0
80.91735	0.7
80.96510	60.1
81.03465	1.6
82.95400	0.9
82.96103	2.2
82.96951	0.6
83.01390	1.1
85.02945	4.7
87.00878	3.9
89.02452	2.2
93.03439	4.0
94.98077	14.4
94.98643	0.9
96.96004	36.3
97.02915	1.1
98.95580	2.0
99.00880	1.0
101.02434	4.9
106.98083	2.8
111.04501	0.9
113.02438	2.1
114.85795	0.7
122.97564	5.0
125.02472	3.6
127.04027	1.0
134.03738	2.0
134.97551	3.5
135.04553	1.1
136.99133	1.2
137.02444	1.1
143.03580	0.7
148.99146	5.1
151.00302	0.8
152.98613	6.5
152.99609	0.9
155.03499	1.1
158.09644	0.7
164.98627	10.1
171.10275	2.1
173.04521	8.8
174.04909	0.6
179.03450	1.0
182.99640	1.9
187.07690	1.1
191.05602	10.9
193.05099	2.6
197.11868	3.5
206.99736	2.1
209.11821	4.1
225.00720	22.0
225.14824	0.9
226.01007	0.8
227.12994	0.7
229.08691	0.8
243.01685	1.2
272.03290	0.8
291.19736	0.7
299.04495	2.2
317.05692	0.7
327.41034	0.6
343.24866	1.5
344.25137	1.7
501.15128	1.2
527.17108	0.9
543.21661	0.8
545.17468	3.6
569.32562	4.5
593.21161	0.7
643.30164	100.0
644.30273	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	643.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75255	0.6
55.01867	0.8
57.03451	1.3
58.00575	1.7
59.01087	1.3
59.01377	23.6
61.98808	1.1
69.03462	0.9
69.54652	5.5
71.01380	17.2
71.05013	0.7
72.99294	1.0
73.02939	2.7
80.02666	1.3
81.03450	2.3
83.01391	2.1
83.05015	5.3
84.02176	1.8
85.02943	4.0
87.00872	4.3
89.02434	17.4
93.03458	1.9
95.01381	0.9
96.96009	16.7
97.02935	2.5
98.95598	0.8
99.00854	1.3
99.04510	0.8
101.02434	14.2
109.06623	1.0
111.04457	0.9
113.02444	8.1
119.03495	4.9
123.04637	0.8
123.65479	0.7
125.02438	5.0
125.06078	0.9
125.09683	3.6
127.11288	5.0
128.83781	0.7
131.03496	1.5
133.05035	0.9
135.08171	0.7
137.09717	0.8
143.03491	2.1
155.10776	2.5
161.02483	1.0
161.04556	2.7
161.08240	0.9
161.41971	0.6
163.11223	3.5
165.05502	0.7
165.09218	2.0
165.12852	2.2
171.10255	2.4
173.04575	1.4
179.05592	4.6
180.04329	0.9
181.12271	0.8
191.05615	5.6
192.04289	1.0
195.06613	2.3
199.09726	2.5
201.11308	90.8
202.11684	4.2
207.06575	1.6
209.11813	100.0
210.12167	4.5
221.06622	1.0
227.12869	18.8
228.13315	1.4
235.08159	6.5
253.09349	1.3
263.07822	0.9
287.07654	2.5
305.10986	6.3
323.09637	1.4
391.14456	0.7
397.13467	58.3
398.13840	4.6
415.14536	39.7
416.15012	2.4
453.89169	0.7
599.25421	10.2
600.25659	1.6
607.26172	1.9
608.26050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50634	0.3
54.82689	0.3
59.01375	2.6
61.98815	1.8
68.99810	0.8
70.52944	0.8
71.01369	1.1
78.95885	1.7
79.95737	4.7
80.05059	0.6
80.96512	3.0
82.96110	0.4
83.05047	0.3
85.02930	0.6
87.00856	0.5
89.02428	0.5
93.03457	1.0
94.02995	0.3
94.98015	0.5
96.04557	2.4
96.96002	100.0
96.96998	2.5
101.02413	0.6
104.05064	0.4
106.06642	0.8
107.03777	0.3
108.08179	7.7
110.06103	0.5
120.04546	0.4
120.08153	0.7
122.02439	0.6
122.06110	1.9
124.04026	5.1
132.04585	0.6
132.08173	0.3
135.06956	0.3
143.79829	0.3
148.04030	2.0
148.07664	0.4
150.09222	14.4
151.09576	0.7
160.04001	0.4
162.05621	0.5
171.10307	0.4
173.04477	1.4
174.05641	0.4
178.08733	0.7
191.05632	1.1
193.05051	0.4
197.11838	2.5
198.12076	0.4
209.11806	2.8
213.14923	0.3
215.11819	1.1
217.08485	0.4
223.08798	0.4
223.12260	0.5
225.00777	0.7
225.10355	0.4
227.12823	0.9
229.51363	0.3
230.40236	0.3
235.12410	1.3
237.10284	0.7
237.13896	0.4
239.11818	1.5
249.10335	0.5
251.08194	0.4
251.11864	1.7
253.09315	0.6
257.12885	1.0
261.10324	0.3
263.08267	1.0
263.12164	0.3
264.09003	3.3
265.09634	1.1
267.11389	0.9
269.12991	1.0
271.02576	0.4
276.09055	1.0
277.09808	1.1
278.10538	1.4
279.11353	15.4
280.11844	1.7
281.12842	1.8
282.13312	0.4
291.11273	2.7
292.12067	1.0
300.02878	0.4
305.09369	0.4
311.13870	0.4
317.13000	0.3
323.10410	0.6
323.14044	0.6
324.11102	0.4
332.17657	0.7
332.21246	0.4
344.17621	0.5
356.21252	0.8
358.19217	0.6
360.13751	0.3
376.16650	1.5
388.20468	0.4
400.20297	4.2
401.20633	0.8
407.89078	0.3
425.22989	0.3
426.18164	0.7
442.21503	1.6
443.21503	0.5
444.19150	1.5
445.20190	0.4
453.26556	1.1
469.20157	0.5
470.20828	1.3
473.15350	0.6
474.23636	0.5
486.20508	2.6
487.20947	1.7
493.22192	0.3
497.25253	1.5
505.26242	0.6
514.20050	0.9
518.23022	2.9
519.24011	0.5
523.27643	2.2
524.27673	0.4
529.27826	0.4
541.24658	1.3
543.17609	0.7
546.22241	0.6
549.24988	2.5
550.25067	0.5
567.26007	5.3
568.26135	0.7
573.27448	0.6
581.27277	0.4
593.23926	3.3
594.24335	0.6
599.27985	1.8
600.28650	0.3
611.25000	24.1
612.25311	4.5
625.26550	1.2
643.27466	14.5
644.27722	2.9
644.35162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02446	0.2
56.97421	0.3
59.01381	2.2
61.98833	1.6
68.99812	0.7
71.01382	1.3
71.62936	0.3
73.02958	0.5
78.95898	1.6
78.98574	0.3
79.95734	4.4
80.96518	3.2
81.95312	0.5
82.96056	0.4
85.02944	0.6
87.00893	0.4
90.76189	0.2
91.49974	0.3
93.03432	0.8
94.98103	0.5
96.04543	1.8
96.96006	100.0
96.96997	2.7
101.02457	0.4
104.05032	0.3
106.06615	1.0
108.08189	5.8
109.08549	0.3
113.02388	0.3
120.08221	0.6
122.06142	1.7
124.04037	4.3
132.04558	0.4
134.03740	0.6
148.04059	1.4
150.09233	11.0
151.09528	0.3
152.54030	0.3
161.04695	0.4
162.05603	0.3
164.98573	0.6
167.05888	0.4
173.04570	1.6
174.05588	0.3
178.08702	0.4
181.49194	0.3
191.05618	1.3
193.05077	0.4
197.11794	1.5
206.99741	0.3
209.11815	2.0
211.12402	0.4
213.15021	0.3
215.11932	0.9
218.85771	0.3
224.09586	0.3
225.00681	1.0
227.12881	0.7
235.12419	1.3
237.10269	0.4
239.11884	1.0
249.10144	0.3
251.08167	0.8
251.11867	1.1
253.09203	0.3
253.13470	0.4
257.12927	0.8
259.10815	0.3
261.10214	0.5
263.08194	0.8
264.08997	2.5
265.09787	0.8
267.11386	0.5
269.12973	0.8
276.09042	0.5
277.09787	1.4
278.10474	1.1
279.11343	12.7
280.11819	0.8
281.12967	1.6
291.11310	2.0
292.12067	0.8
299.01828	0.7
300.03036	0.3
323.13895	0.7
324.10873	0.3
332.17621	0.7
344.17636	0.4
356.21341	0.7
358.19269	0.5
376.16788	0.8
400.20190	2.9
401.20627	0.7
426.18359	0.5
442.21359	1.1
444.19409	1.5
445.19827	0.6
445.37372	0.3
453.26581	0.8
455.24762	0.4
470.20911	0.8
471.15588	0.4
471.21869	0.3
473.15561	1.2
486.20273	1.7
487.21097	1.6
497.25519	0.9
499.15170	0.5
499.27084	0.3
505.25867	0.5
514.19745	0.8
518.22998	2.3
519.22913	0.4
523.27441	1.7
524.27899	0.4
541.24792	1.1
543.17822	0.8
549.24939	2.0
567.25928	3.6
568.26617	0.4
573.27130	0.5
575.22772	0.6
581.27454	0.5
593.23718	2.4
594.24304	0.4
599.28217	1.5
600.28479	0.3
611.25061	18.7
612.25354	3.4
625.26782	1.3
626.27673	0.3
643.27386	12.0
644.27313	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	643.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74703	0.2
57.03440	0.2
57.74106	0.2
59.01377	1.5
61.98819	2.1
67.66000	0.2
68.99802	0.2
71.01372	1.8
71.63276	0.3
73.02945	0.2
78.95894	2.2
78.98586	0.7
79.95731	5.3
80.96513	5.5
81.95332	0.3
82.41972	0.2
82.96096	0.5
83.05008	0.3
85.02943	0.6
87.00858	0.5
88.28690	0.2
89.02448	0.3
89.78242	0.3
92.19484	0.2
93.03440	1.2
94.98070	1.5
96.04513	0.4
96.96003	100.0
96.96880	2.8
97.95941	0.3
98.95586	0.4
99.04500	0.2
101.02428	0.6
106.06609	0.3
106.98107	0.4
108.08189	2.4
111.04476	0.2
122.02482	0.2
122.06079	0.6
122.97578	0.4
124.04039	1.5
125.02431	0.5
134.03725	0.4
134.97458	0.2
137.02441	0.4
139.03981	1.1
148.03999	0.4
148.99098	0.6
150.09235	5.3
152.98619	0.6
163.11301	0.3
164.98604	0.9
171.10312	0.6
173.04561	1.7
191.05612	2.3
197.11816	2.7
206.99654	0.4
209.11806	1.9
225.00748	1.7
225.11354	0.2
226.01125	0.3
227.00505	0.2
227.12894	0.8
237.10498	0.2
238.11098	0.3
239.12030	0.5
243.01759	0.2
246.14484	0.2
249.10287	0.3
251.11790	0.5
253.09233	0.3
263.08090	0.4
264.08987	0.8
265.09787	0.3
268.73798	0.2
277.09769	0.6
278.10703	0.2
279.11328	4.5
280.11734	0.3
281.13046	0.5
291.11386	0.9
292.12085	0.3
299.01727	0.3
323.10284	0.4
344.17816	0.3
400.20288	1.3
426.18448	0.2
442.21143	0.3
444.19223	0.6
445.20096	0.5
455.24277	0.3
471.15399	0.5
472.15442	0.3
473.15247	1.3
486.20340	0.8
487.21054	0.3
497.25522	0.4
499.15009	0.7
514.19415	0.2
518.22766	1.3
518.99799	0.2
523.26880	0.4
528.66278	0.2
529.18048	0.3
541.24689	0.5
543.17566	1.8
546.22791	0.3
549.25311	0.7
567.26050	1.2
593.23627	1.1
611.24957	6.3
612.25092	1.0
625.26361	0.9
643.26929	9.8
644.27399	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	643.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09238	0.2
59.01377	1.5
61.98827	0.6
63.14653	0.2
69.59655	1.3
71.01374	0.7
73.02974	0.2
75.64392	0.2
78.95872	0.3
79.95738	3.9
80.96523	0.3
85.02937	0.5
89.02452	0.3
93.03452	0.5
96.96006	100.0
97.95911	0.4
101.02444	0.3
110.97578	6.4
128.00331	0.2
132.02184	0.7
133.02968	0.6
134.03728	2.1
135.04492	0.6
137.02414	0.3
149.06065	0.7
151.03999	0.2
155.37926	0.2
160.01640	3.6
161.02373	0.9
173.04608	1.0
173.05898	0.2
175.03989	5.7
176.04568	0.6
178.99744	0.2
179.03503	0.5
188.96051	0.2
191.05594	1.9
191.07149	0.8
193.05028	3.6
207.06580	0.3
235.06114	2.5
240.39034	0.3
248.60928	0.2
265.07196	0.6
287.09540	0.7
295.08160	1.1
467.15848	4.1
468.16122	0.3
535.22076	0.2
563.24805	0.8
643.20544	49.1
644.20911	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	643.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07200	1.2
55.07850	1.3
59.01359	2.9
61.98829	80.8
67.01888	1.6
69.03393	1.7
71.01384	9.0
71.63166	1.6
72.67500	1.1
73.02949	2.1
78.66084	1.2
78.98582	6.7
79.95734	43.3
80.96514	84.8
81.03454	1.5
85.02927	3.9
87.00853	4.3
93.03463	6.2
94.98074	21.8
96.96012	8.4
97.02930	3.1
99.00860	1.5
100.59021	1.4
101.02438	3.5
104.51283	1.3
106.98100	3.6
111.04461	1.2
122.97601	8.4
125.02429	5.2
129.24294	1.4
134.97545	6.3
135.04491	5.2
136.99080	2.2
137.02393	1.8
148.99126	8.3
152.98613	9.9
164.98598	13.9
165.83983	1.3
171.10216	5.6
173.04533	14.3
173.05893	2.5
179.03467	2.4
182.99702	2.8
191.05600	8.9
194.99573	1.2
206.99669	5.0
209.11848	3.1
211.13348	2.0
225.00726	30.5
241.00157	1.7
243.01729	2.4
299.04459	6.1
328.78027	1.2
439.85016	1.4
469.22189	2.8
471.15387	100.0
472.15900	8.1
499.18445	3.7
527.17999	16.6
543.17889	2.2
554.81152	1.3
643.26379	62.4
644.26605	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	643.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09238	0.2
59.01377	1.5
61.98827	0.6
63.14653	0.2
69.59655	1.3
71.01374	0.7
73.02974	0.2
75.64392	0.2
78.95872	0.3
79.95738	3.9
80.96523	0.3
85.02937	0.5
89.02452	0.3
93.03452	0.5
96.96006	100.0
97.95911	0.4
101.02444	0.3
110.97578	6.4
128.00331	0.2
132.02184	0.7
133.02968	0.6
134.03728	2.1
135.04492	0.6
137.02414	0.3
149.06065	0.7
151.03999	0.2
155.37926	0.2
160.01640	3.6
161.02373	0.9
173.04608	1.0
173.05898	0.2
175.03989	5.7
176.04568	0.6
178.99744	0.2
179.03503	0.5
188.96051	0.2
191.05594	1.9
191.07149	0.8
193.05028	3.6
207.06580	0.3
235.06114	2.5
240.39034	0.3
248.60928	0.2
265.07196	0.6
287.09540	0.7
295.08160	1.1
467.15848	4.1
468.16122	0.3
535.22076	0.2
563.24805	0.8
643.20544	49.1
644.20911	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	642.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01377	22.1
61.98827	8.1
63.99238	0.5
68.99814	0.5
69.03451	1.4
69.82961	1.0
69.83351	1.2
71.01376	4.6
72.06075	0.4
72.99299	0.6
73.02929	1.8
78.95898	11.2
78.98596	0.7
79.95730	1.8
80.96518	5.3
81.03434	0.4
83.01398	0.7
83.05026	1.2
85.02958	2.1
87.00848	0.9
89.02444	1.9
90.57623	0.4
92.33932	0.4
93.03455	2.6
94.98071	1.4
95.01407	0.5
96.96007	18.7
96.96960	0.7
97.02926	0.4
97.06614	0.8
97.95955	0.5
98.19894	0.8
98.95596	0.8
99.08155	6.7
101.02428	2.3
111.04490	0.6
113.02445	1.6
119.03507	0.8
121.10226	1.0
122.97578	0.4
125.02459	1.1
125.09682	2.0
134.03714	0.9
134.97588	0.8
135.04526	0.9
137.09682	0.9
148.99091	0.7
151.00288	0.6
152.98514	0.8
152.99582	4.6
159.91747	0.4
161.04506	0.5
164.98669	0.6
165.12775	1.1
168.04317	2.7
171.10255	16.3
173.04521	4.2
174.04884	0.5
175.11238	0.5
179.05594	0.6
191.03932	0.6
191.05605	6.9
192.05894	0.7
193.05037	0.8
193.12314	11.5
197.11786	0.9
209.11810	1.5
211.13391	2.6
222.58295	0.4
224.06888	1.5
225.00754	1.6
225.14943	18.6
226.01083	0.6
226.15271	1.2
242.07896	3.5
243.16016	7.9
293.21201	2.8
311.22162	1.1
325.23856	0.8
343.24850	50.2
344.25192	4.0
447.69940	0.5
451.95715	0.5
469.14728	0.5
474.36996	0.5
497.25168	2.0
568.32495	100.0
569.32843	11.5
583.29193	0.7
601.87195	0.5
642.27368	4.3
643.30017	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	642.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74606	0.9
59.01093	1.3
59.01376	22.6
60.10075	0.8
60.55721	0.9
60.99285	0.8
61.98824	13.8
67.45843	0.9
69.03455	2.0
71.01377	12.4
73.02944	2.9
78.83617	0.9
78.95898	15.0
78.98592	1.8
79.95731	8.4
80.96507	26.3
82.96140	0.9
83.01395	1.0
83.05013	1.6
85.02926	3.3
87.00861	3.4
89.02426	2.0
93.03440	5.9
94.98081	5.9
96.96005	42.6
97.02930	1.8
97.06572	0.8
98.95596	2.1
99.00884	1.4
99.08161	7.3
101.02431	3.9
106.98026	1.0
109.02949	1.4
109.06580	1.7
113.02417	2.3
116.92828	1.5
122.97588	2.3
125.02421	1.4
125.09695	2.7
127.04097	1.2
134.03754	1.1
134.97614	1.5
135.04500	1.9
137.09705	1.5
148.99104	2.1
152.98563	2.1
152.99574	6.2
153.09178	1.0
161.04512	1.3
163.11336	1.5
164.98592	4.7
168.04245	2.6
171.10269	18.4
173.04527	9.9
182.99562	1.1
191.05592	13.7
191.52350	1.0
192.05914	1.8
193.12312	11.8
194.12544	1.1
197.11772	2.4
201.11317	1.4
206.99672	1.1
207.10130	1.5
209.11771	3.0
211.13295	3.4
224.06924	2.7
225.00723	9.6
225.14955	20.5
226.15273	1.0
227.12753	1.8
232.58774	1.0
242.07936	3.5
243.15994	9.8
293.21167	2.4
299.04364	1.3
300.02432	1.2
311.21848	1.0
340.90924	0.8
343.24844	46.2
344.25211	3.2
348.92368	1.0
361.69113	0.9
450.19821	1.4
483.23956	1.6
497.25241	3.1
500.14911	2.4
543.17645	1.3
544.17804	5.3
545.16980	1.4
568.32501	100.0
569.32874	11.4
583.29144	1.1
642.25269	14.5
643.30145	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	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39049	0.4
52.80647	0.4
52.82993	0.4
53.19537	0.3
59.01360	0.7
61.04615	0.3
61.98811	0.5
65.00243	0.3
69.69855	2.4
71.01370	6.8
77.41143	0.3
78.95901	0.6
85.02940	0.5
93.03393	0.5
96.95998	0.7
97.06590	0.5
125.09740	1.8
125.99338	2.5
130.81480	0.4
135.08192	0.4
137.09689	0.8
138.45193	0.4
141.09187	3.3
151.07637	0.4
153.09290	0.4
165.01678	3.8
165.08974	0.5
171.10248	1.4
173.04518	0.5
179.93375	0.4
181.08444	1.2
181.11839	0.4
183.09985	1.3
193.04807	0.6
193.08418	9.3
194.05586	0.4
195.06342	0.4
197.07982	0.8
197.11752	0.3
199.09729	0.6
200.10498	0.6
201.11230	0.9
207.10121	0.5
209.07912	3.6
211.13339	1.2
221.07953	2.3
222.08704	58.6
223.09470	30.1
223.11728	0.8
224.09843	0.9
225.07466	0.9
227.03072	0.4
227.09053	0.8
232.13762	0.4
237.11028	0.4
241.09216	0.7
248.10269	0.7
254.07700	4.8
262.11774	1.1
291.19656	1.6
301.17789	0.9
303.19412	1.5
309.20679	8.0
310.20789	0.7
313.17804	2.3
331.18857	100.0
332.19223	8.4
375.17694	1.2
532.28918	2.8
641.39288	2.2
642.39459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03397	0.4
59.01374	2.2
61.98824	6.4
63.96228	1.3
64.22841	0.3
69.03442	0.5
69.87006	0.7
69.87400	0.9
71.01372	5.9
73.02942	2.4
78.10564	0.4
78.58180	0.3
78.95936	0.5
78.98586	4.6
79.95732	10.6
80.96507	55.4
81.03439	0.6
83.01367	0.5
85.02941	2.8
87.00856	3.0
88.52409	0.3
93.03465	0.4
94.98076	13.9
95.01414	0.5
96.96000	6.9
97.02914	1.7
99.00869	0.6
101.02425	3.0
106.98067	2.1
113.02489	0.7
122.97565	4.9
125.02434	3.3
127.04002	0.7
134.97588	3.5
136.99098	1.7
143.03421	0.6
148.99120	5.7
152.98630	5.9
164.98607	11.7
164.99995	0.7
167.00182	0.7
171.10242	0.9
173.04544	0.7
178.99977	0.4
182.99652	2.4
187.00758	0.4
188.98697	0.4
191.05595	1.5
195.10258	0.5
197.80396	0.4
206.99637	2.7
209.11832	0.7
215.13690	0.4
225.00708	18.6
225.14966	0.8
226.01219	0.5
236.52806	0.3
243.01740	1.7
299.04480	3.1
331.22479	0.4
341.23303	0.5
641.28406	100.0
642.28625	13.1
669.30438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.0
59.15155	0.4
61.98826	1.0
63.96222	1.1
69.03436	0.8
69.32030	1.5
69.32449	2.0
71.01382	5.5
73.02940	1.7
78.95893	0.5
78.98587	5.6
79.95260	0.6
79.95731	12.8
80.96510	54.4
81.03452	1.3
81.90112	0.4
82.65334	0.4
83.01396	0.5
84.02204	0.4
85.02937	2.5
87.00865	2.7
87.52391	0.3
93.03461	0.7
94.98078	13.4
96.96008	5.1
97.02943	1.5
97.06583	0.8
97.42023	0.4
99.00864	0.7
101.02433	2.3
102.63704	0.4
106.98063	2.5
108.83627	0.4
113.02454	0.7
122.97575	5.4
125.02429	2.4
127.03986	1.3
134.97589	3.9
136.99118	1.3
148.99101	5.4
152.98592	6.3
152.99669	0.6
164.98615	10.4
165.98843	0.4
171.10248	0.7
173.04567	0.6
179.00037	0.5
180.52014	0.4
182.99648	2.3
190.90662	0.4
191.05589	1.4
193.12390	0.6
206.99657	3.0
211.13362	0.4
225.00725	20.1
225.15080	0.9
226.01080	0.6
243.01768	2.3
299.04431	3.2
341.23273	1.2
342.23566	0.7
471.15347	1.1
493.78842	0.4
539.18164	0.4
541.19672	0.5
567.31311	2.2
568.31665	0.5
611.26855	0.6
641.28418	100.0
642.28705	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	641.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01375	53.3
61.98810	2.3
66.05889	0.6
70.30442	1.3
70.30814	0.9
71.01370	3.9
72.60885	0.6
73.02940	1.3
78.36497	0.5
78.95895	1.7
79.95741	3.7
80.57713	0.5
80.67302	0.5
80.96505	2.3
83.01385	0.6
83.95175	0.5
84.46696	0.6
85.02956	3.2
87.00874	0.7
89.02439	0.8
93.03423	2.6
96.96002	34.2
98.20476	0.7
101.02425	2.6
106.04191	1.1
107.05052	0.8
109.02906	0.6
112.18913	0.6
113.02443	1.2
116.92873	0.6
119.03438	0.6
120.99672	0.9
122.04539	0.7
125.02463	0.9
137.02390	1.1
147.07147	0.6
147.08141	2.6
149.06064	65.8
150.06398	2.1
151.00328	0.7
161.04558	0.9
173.04517	3.8
179.03438	0.8
191.05597	6.9
191.07112	0.9
195.17981	0.6
209.08163	76.9
210.08430	4.3
225.00656	1.1
225.14932	8.2
226.15376	0.8
269.13904	10.1
284.58780	0.6
287.14957	3.1
371.13419	100.0
372.13745	8.0
405.13333	1.0
449.13449	1.0
479.22305	1.0
541.47577	0.6
623.24585	0.9
641.28021	33.3
642.28418	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	641.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17636	1.0
53.21259	0.9
57.03420	1.9
58.75243	1.0
59.01090	1.6
59.01377	28.7
65.65871	0.9
69.96600	4.3
71.01377	17.5
71.05029	1.2
72.99294	1.6
73.02929	4.7
83.05056	1.1
85.02939	6.6
87.00857	2.4
89.02444	10.8
93.03458	2.0
96.95981	1.3
97.02943	2.3
99.00864	13.8
101.02438	10.9
106.24257	1.0
113.02423	5.3
119.03495	1.9
120.99669	1.1
123.08145	2.9
125.02456	2.3
125.09699	2.2
143.03522	1.4
149.04489	2.2
161.04555	3.1
163.11241	6.0
171.10255	2.6
173.04561	1.1
181.12375	10.4
189.12785	4.6
191.05588	12.9
199.13367	13.9
201.11397	1.2
207.10252	23.4
207.13832	6.2
208.10637	1.0
221.06653	1.5
225.11293	39.6
226.11520	2.2
243.12349	13.2
317.15915	1.4
394.27402	1.1
397.13416	2.2
415.14401	3.2
440.91571	0.9
496.59659	1.0
519.24042	3.5
537.32904	1.7
559.24158	1.4
561.25427	42.2
562.26013	5.7
623.25403	13.6
624.26056	2.0
641.26550	100.0
642.26996	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	641.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17636	1.0
53.21259	0.9
57.03420	1.9
58.75243	1.0
59.01090	1.6
59.01377	28.7
65.65871	0.9
69.96600	4.3
71.01377	17.5
71.05029	1.2
72.99294	1.6
73.02929	4.7
83.05056	1.1
85.02939	6.6
87.00857	2.4
89.02444	10.8
93.03458	2.0
96.95981	1.3
97.02943	2.3
99.00864	13.8
101.02438	10.9
106.24257	1.0
113.02423	5.3
119.03495	1.9
120.99669	1.1
123.08145	2.9
125.02456	2.3
125.09699	2.2
143.03522	1.4
149.04489	2.2
161.04555	3.1
163.11241	6.0
171.10255	2.6
173.04561	1.1
181.12375	10.4
189.12785	4.6
191.05588	12.9
199.13367	13.9
201.11397	1.2
207.10252	23.4
207.13832	6.2
208.10637	1.0
221.06653	1.5
225.11293	39.6
226.11520	2.2
243.12349	13.2
317.15915	1.4
394.27402	1.1
397.13416	2.2
415.14401	3.2
440.91571	0.9
496.59659	1.0
519.24042	3.5
537.32904	1.7
559.24158	1.4
561.25427	42.2
562.26013	5.7
623.25403	13.6
624.26056	2.0
641.26550	100.0
642.26996	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	641.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79950	1.1
59.01378	12.5
61.98832	12.2
62.16910	1.1
68.99798	1.5
69.28029	9.5
69.28447	2.2
71.01376	16.4
73.02936	4.9
76.77266	1.2
77.13342	1.4
78.95879	3.7
78.98574	4.2
79.95733	37.8
80.05050	5.7
80.96514	36.4
82.33895	1.2
83.05024	1.2
83.34252	1.0
85.02936	4.9
87.00866	2.1
89.02427	2.2
93.03432	5.2
94.98075	9.4
95.01339	1.6
96.96005	100.0
97.02952	2.2
99.00851	1.2
101.02425	4.5
104.05038	4.9
106.06633	1.4
106.98072	2.1
108.08173	7.1
109.06613	1.7
113.02404	1.8
114.00722	1.0
122.97537	2.3
124.04018	4.9
124.41220	1.1
125.02386	3.7
125.07317	1.2
134.97549	2.1
136.04019	2.5
140.30566	1.1
146.06056	1.2
148.03987	4.3
148.07664	2.2
148.99097	3.9
150.09241	44.5
151.09581	1.9
152.98589	4.4
152.99649	1.9
160.04051	3.4
161.04507	1.8
162.04315	1.5
163.11235	1.5
164.98598	7.4
167.05824	1.8
171.10249	3.6
173.04575	7.6
173.05928	2.1
174.05522	3.2
182.99579	2.0
187.08800	1.6
191.05577	13.0
197.11792	1.7
206.99718	2.6
207.10211	5.1
209.11754	3.1
213.10312	4.2
215.08202	4.1
215.11774	1.7
217.08635	3.3
225.00729	17.6
225.11334	6.4
227.08080	1.6
239.08142	1.4
239.11899	1.8
241.00212	1.6
241.07504	2.2
241.09813	26.0
243.01727	1.5
243.11372	8.3
243.14955	3.9
253.09608	2.9
255.10472	1.7
269.12823	1.5
279.11325	1.9
285.58218	1.5
287.07297	1.9
287.10339	29.0
288.10590	1.9
295.10907	5.5
299.04373	3.6
311.13983	11.0
323.13721	1.3
324.27039	1.2
342.12335	1.6
346.11868	1.8
358.15613	1.9
359.84390	1.4
360.13336	2.8
372.09726	1.7
386.11090	3.0
387.12015	6.6
397.13342	2.8
402.14450	13.4
403.14877	1.5
406.47891	1.4
414.14551	1.6
415.14423	1.9
461.19659	2.0
471.15341	53.4
472.15674	3.7
493.22375	2.5
497.25177	1.6
499.18484	1.9
513.09155	1.2
521.25092	4.4
523.23236	6.0
527.17993	9.1
543.16962	4.6
565.24536	76.6
566.24731	11.0
591.21918	1.5
597.27100	9.4
598.26855	1.7
609.23468	36.1
610.23938	5.6
623.25391	1.5
641.25464	39.8
642.25739	6.5
642.34766	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	641.247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06155	0.6
51.86720	0.6
59.01375	6.9
61.98824	12.7
63.96209	1.0
68.17416	0.5
69.03452	1.2
70.84932	1.4
70.85281	1.2
71.01379	12.0
73.02929	2.2
78.95889	2.8
78.98589	5.6
79.95732	16.3
80.96508	68.2
81.03448	1.2
83.05000	0.9
85.02945	5.0
87.00846	3.5
93.03432	3.3
94.98075	16.0
96.96000	82.7
97.02916	1.8
97.06528	0.9
98.95546	2.1
99.00875	1.1
99.04490	0.9
101.02431	4.4
106.98059	2.7
109.02921	1.1
109.06567	1.0
111.00797	0.8
111.22214	0.6
113.02413	1.8
116.92811	1.3
122.97566	6.8
125.02428	4.2
127.04014	2.0
134.97563	6.2
135.04488	0.7
136.99129	1.5
148.99147	7.6
152.98598	7.5
161.19313	0.7
163.11313	0.7
164.98624	12.2
168.21831	0.6
171.10228	2.0
173.04539	5.3
178.99890	0.7
182.99651	2.7
191.05579	10.7
192.05757	1.0
197.11789	1.0
199.09711	2.6
201.11267	1.1
206.99602	2.9
207.10237	2.5
209.11798	2.1
211.13307	0.7
225.00717	25.9
225.11267	3.8
243.01720	1.5
253.09189	0.8
283.90137	0.6
299.01483	1.0
299.04422	3.2
351.19922	0.7
373.93701	0.8
424.66486	0.7
449.19537	1.5
467.20807	1.4
471.15588	3.5
472.16071	0.7
499.14813	16.9
500.15164	2.2
525.16498	5.7
539.18286	1.1
543.17462	38.4
544.17841	2.9
565.24548	1.9
577.28717	0.9
581.22632	1.1
609.23444	1.3
623.25085	1.1
641.24786	100.0
642.24994	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	641.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03448	1.3
59.01376	47.7
69.03407	1.0
69.49185	5.2
69.49593	2.5
71.01379	22.7
71.05026	1.8
72.99323	1.1
73.02937	8.8
78.95905	1.2
83.01372	3.0
85.02950	7.6
87.00867	1.9
89.02442	14.2
93.03429	1.5
95.01391	1.3
96.96032	1.4
97.02945	2.8
98.20607	2.3
99.00867	12.4
101.02431	12.3
110.03732	1.1
112.01630	1.5
113.02451	8.8
119.03484	3.1
121.68186	1.1
123.08153	7.2
125.02431	1.4
125.09720	1.6
126.84692	1.1
137.09700	2.5
139.23671	1.0
143.03496	1.1
161.04538	3.7
163.11284	8.6
173.04564	1.1
181.12389	5.1
189.12839	10.1
191.05560	7.1
197.15060	1.0
199.13394	7.5
207.10252	11.4
207.13843	10.6
212.43919	1.3
225.11314	18.8
243.12389	5.9
390.78528	1.0
501.23141	2.2
519.24323	9.7
534.20392	1.1
561.25439	100.0
562.25885	12.7
623.25458	6.4
641.26532	45.8
641.37244	2.4
642.27094	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	641.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84271	0.1
59.01377	1.2
61.98811	0.3
71.01373	0.6
71.63412	0.1
73.02970	0.2
75.00857	0.1
78.95896	0.2
79.95734	3.6
80.96529	0.4
83.01372	0.2
84.47816	0.1
85.02944	0.3
87.00862	0.2
89.02432	0.2
93.03457	0.6
94.98091	0.1
96.96003	100.0
97.95928	0.3
98.95604	0.2
101.02424	0.3
109.02950	0.2
111.04512	0.1
113.02428	0.1
113.99574	0.3
116.92777	0.1
121.02918	0.1
122.03778	0.2
125.02441	0.1
133.02934	0.1
134.03777	0.1
135.04510	0.2
149.02417	0.4
149.71616	0.1
150.03206	1.6
151.00299	0.6
155.03494	0.1
163.37685	0.1
165.05531	1.7
166.06004	0.1
171.10268	0.1
173.04573	0.7
173.05910	0.2
174.01694	0.4
177.74409	0.1
178.99812	0.6
189.05638	0.1
191.05606	1.4
195.06581	1.4
209.08272	0.1
215.07185	0.2
216.07712	0.1
241.01338	0.1
253.04913	0.1
269.13937	0.1
279.11539	0.1
299.01816	0.2
301.03403	0.1
334.64508	0.1
339.13202	0.1
379.15298	0.1
401.16144	0.1
449.13748	0.2
461.07437	0.1
479.22754	0.2
489.19101	0.2
543.15039	0.9
544.15253	0.1
549.21381	0.2
609.23474	0.2
641.25854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98823	100.0
62.98521	0.1
69.47276	0.8
71.01365	0.6
78.95898	0.2
79.95727	0.6
80.96513	0.9
89.38127	0.1
93.03473	0.2
94.98085	0.2
96.95995	1.1
101.02458	0.1
105.60346	0.1
148.99203	0.1
152.99626	0.2
173.04573	0.3
189.60213	0.1
191.05626	0.4
207.10330	0.2
208.10658	0.1
211.13469	0.2
225.00761	0.3
225.11353	0.2
298.16269	0.1
438.58295	0.1
438.98132	0.1
471.15308	0.8
533.45154	0.1
641.24139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65990	1.6
56.57386	1.7
57.41385	2.1
58.15620	1.6
59.01371	33.2
61.98825	5.7
69.03440	2.3
69.72767	9.4
71.01374	75.8
71.72091	1.6
73.02939	4.4
75.00873	1.9
78.95919	2.1
81.03462	3.9
83.01414	2.2
83.05025	3.6
85.02946	5.3
88.98803	3.8
89.02438	10.3
95.04972	2.2
97.02940	5.1
99.00862	4.0
101.02432	11.8
109.02940	1.7
109.06581	39.6
113.02444	5.6
135.08154	5.3
142.02670	2.4
161.04501	5.9
163.11264	17.9
166.16914	2.0
171.10201	10.4
173.04442	2.0
175.49733	1.9
179.05484	2.1
181.12332	5.5
185.11775	4.0
189.09123	2.1
191.05557	3.2
199.09784	3.5
201.11275	4.2
207.10236	100.0
208.10675	4.7
209.11859	4.9
213.65321	1.7
225.11288	54.5
225.13512	2.9
226.11716	3.0
243.12358	4.9
253.09280	25.2
257.49048	1.8
266.96375	2.1
271.58020	1.8
299.14944	2.6
309.72711	1.8
339.09671	2.2
461.20203	25.5
462.20880	7.3
505.04977	2.2
607.21503	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	639.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14699	0.3
55.01892	0.5
57.03439	1.1
57.11702	0.4
58.00589	0.7
59.01376	17.3
67.01867	0.6
69.03443	2.7
71.01376	11.1
71.05021	1.7
72.99302	0.7
73.02948	2.3
75.00853	0.5
81.03455	0.4
83.01386	1.6
85.02943	3.6
87.00849	2.5
89.02437	9.0
93.03463	1.3
95.01395	0.5
96.96018	1.2
97.02946	1.5
97.06588	0.7
98.20627	1.2
99.00861	1.4
101.02433	8.4
109.02934	0.5
111.00875	0.6
113.02440	2.6
116.92864	1.6
119.03490	2.4
123.08179	1.4
125.02432	1.5
125.09723	1.3
137.09663	0.4
143.03523	0.6
149.09789	0.4
151.11281	1.5
153.12813	1.2
160.01762	0.5
161.04567	1.5
161.09735	1.9
173.04517	1.7
175.04138	0.5
179.05678	0.9
179.10738	4.9
185.04498	0.5
191.05560	4.1
195.06616	0.6
197.11807	52.8
198.12126	2.3
221.04648	0.8
221.06686	1.2
223.09734	1.2
235.08226	0.9
241.01593	0.5
241.10808	6.9
242.11198	0.5
256.81384	0.4
260.33850	0.4
299.01727	0.7
314.04178	0.5
360.70224	0.4
397.13379	1.1
404.81564	0.4
415.14536	0.7
443.15213	0.7
595.25995	0.6
621.23535	0.6
639.24963	100.0
640.25354	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	639.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60957	0.2
59.01377	0.3
69.99464	0.7
71.01385	0.6
73.11868	0.2
81.03453	0.3
85.02922	0.4
89.02420	0.2
89.03961	0.9
91.89590	0.2
92.14367	0.2
93.03451	16.3
94.03784	0.4
96.96014	0.8
101.02432	0.3
101.05991	0.2
105.03443	1.9
109.02906	0.3
113.02406	0.2
118.98072	0.2
121.02930	0.4
124.13473	0.2
133.02953	5.3
134.03346	0.3
137.02432	29.7
138.02765	0.9
149.02408	0.6
151.04013	0.2
173.04536	0.2
177.01912	100.0
178.02261	3.9
191.05598	0.9
193.61105	0.2
226.02876	0.2
299.04422	0.3
299.07700	4.7
300.08112	0.3
323.13400	0.3
339.07166	15.1
340.07507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55904	0.3
59.01372	6.0
60.55094	0.3
61.41458	0.3
61.98519	0.4
61.98824	6.9
62.96392	0.4
68.48359	0.3
71.01376	1.0
71.05006	0.7
71.63591	0.4
73.02937	0.4
77.15244	0.3
78.95898	100.0
79.95730	0.9
80.96505	0.6
81.77970	0.2
85.02909	0.4
87.00828	0.3
88.04028	0.6
88.98761	0.4
89.02406	0.3
93.03435	1.1
93.20023	0.3
96.95998	14.9
96.96951	6.3
101.02455	0.4
109.78326	0.3
113.02408	0.4
115.07639	3.1
118.96834	0.3
122.06068	0.4
123.06870	0.6
127.11256	0.4
133.96469	0.3
134.03789	0.4
134.46910	0.3
135.04497	0.9
136.04787	0.4
151.11815	0.3
152.99576	1.3
161.04564	0.3
165.12814	0.5
169.12331	4.7
170.12735	0.3
171.00624	57.2
172.01007	0.8
173.04504	1.8
174.04822	0.4
183.13872	9.6
184.14128	0.4
185.11830	3.3
191.05605	2.7
192.05878	0.4
194.15454	0.8
194.96193	0.3
197.15421	1.0
208.16933	0.4
212.02917	0.3
227.12828	0.8
238.14516	2.3
239.16504	1.0
245.13890	7.6
252.16020	6.5
253.09200	0.5
253.16382	0.3
257.17432	0.4
278.14005	0.6
296.15143	0.7
299.18616	10.0
300.18961	0.4
306.20667	0.7
308.08810	0.4
324.21869	0.6
341.23242	0.3
342.23615	0.5
343.24890	0.4
350.19568	1.2
368.20599	1.6
466.28091	6.8
467.28598	0.7
621.22485	0.4
638.24762	0.4
638.33191	0.4
639.26831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
59.01377	26.4
61.98516	0.7
61.98824	10.0
67.01872	0.9
71.01376	7.2
71.05022	0.7
72.99293	0.7
73.02936	1.9
75.88960	0.4
78.95901	11.8
79.05507	0.6
79.95744	0.6
80.96515	0.5
83.01380	1.1
83.05022	3.0
85.02935	4.3
87.00872	5.6
88.04024	0.5
89.02433	3.0
93.03444	5.3
93.18421	0.4
95.01424	0.9
95.04993	0.7
96.96010	15.7
96.96930	0.8
97.06589	3.2
98.20623	1.3
99.00840	0.5
99.04527	0.7
101.02437	5.5
105.07135	0.5
107.05028	7.3
109.02981	2.5
111.04546	0.5
113.02438	3.2
119.03488	1.7
120.05800	3.0
121.06584	0.7
123.08143	4.5
125.02371	0.4
131.36967	0.4
133.02968	0.9
133.06546	0.5
133.10223	1.2
135.04512	4.3
135.08093	0.6
135.11754	0.6
137.02452	0.5
137.09724	1.5
141.05573	0.9
143.03522	0.4
146.07318	1.2
147.08145	0.9
152.04803	2.2
152.99577	0.5
153.01939	2.4
154.55966	0.4
157.06563	1.2
159.08147	1.3
159.11787	0.6
161.04526	1.7
161.09709	17.2
161.13336	6.2
162.10069	0.7
162.13788	0.5
163.11267	6.0
169.10167	0.5
169.12399	1.0
171.00629	7.0
171.08101	0.5
171.10278	1.3
172.09012	0.6
173.04536	5.6
179.05589	0.5
179.10741	1.3
185.09741	0.7
187.11264	17.9
188.11592	0.9
189.09203	10.8
189.12820	6.2
190.09624	0.7
190.95644	0.4
191.05603	5.6
193.12297	0.8
203.10768	1.8
205.12321	10.0
206.12610	0.8
207.10237	2.4
207.13849	4.2
209.11777	0.7
223.13329	0.7
225.14969	1.8
227.12944	0.4
231.10229	0.8
243.16032	0.6
245.13908	0.9
249.11301	7.9
253.09250	3.8
267.12308	2.9
291.44296	0.4
296.14914	1.3
341.00375	0.4
341.23318	7.7
351.07050	0.7
387.20239	0.7
445.18539	1.0
466.27960	0.5
493.24585	0.7
575.17493	0.6
577.32544	0.9
619.31274	1.2
637.32318	100.0
638.32764	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	637.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03446	1.0
58.00582	1.5
59.01374	30.6
61.98812	3.9
71.01376	64.1
71.09966	1.0
71.10315	1.9
72.99307	1.3
73.02935	2.7
78.95885	4.3
80.96482	1.1
81.03436	2.7
82.22948	1.1
83.01368	1.3
83.05015	3.0
85.02961	5.2
87.00869	2.3
89.02451	8.7
93.03442	1.7
95.01379	1.4
95.04996	1.3
96.71288	1.0
96.95985	3.6
97.02952	6.8
97.06583	2.3
99.00854	2.6
101.02440	13.2
109.06580	35.6
110.03752	1.4
110.06916	1.2
110.14068	0.9
113.02436	4.7
117.04007	0.9
119.03448	3.8
121.02945	1.5
121.06538	1.7
125.09711	1.7
127.11299	1.4
135.08125	2.9
135.09952	0.9
136.05307	1.3
142.02637	2.9
143.03510	1.2
152.99559	3.5
154.00052	1.0
155.10768	1.4
161.04530	3.1
161.09686	3.0
163.11278	19.8
165.09198	1.2
165.12764	1.0
171.10237	10.6
173.04466	1.3
179.05598	1.0
181.12265	6.1
185.11794	3.2
189.09225	2.2
191.05644	1.4
199.09743	4.4
199.13383	1.5
201.11288	7.9
207.10236	100.0
208.10576	6.8
209.11740	2.3
215.12828	1.4
225.11295	54.3
226.11629	3.3
235.08232	1.0
243.12263	3.0
253.09247	27.7
299.14957	1.9
319.79761	0.9
343.87799	1.0
356.53400	0.9
461.20184	23.8
462.20840	6.2
578.05066	1.0
637.33026	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	637.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64180	0.6
57.03443	1.0
59.01374	60.4
60.01748	0.9
61.98820	1.2
67.01886	3.7
69.28330	4.1
69.28757	2.1
70.08990	0.6
71.01370	4.4
73.02918	0.9
81.03452	0.7
82.27643	0.7
83.04999	1.2
84.11648	0.7
85.02932	3.3
87.00872	1.6
89.02412	0.9
93.03453	26.6
96.95998	8.2
98.95564	0.7
99.04514	2.4
101.02425	1.9
107.04913	0.7
109.02946	1.4
111.00820	0.8
111.04512	5.6
113.02422	1.8
127.04043	1.6
134.03703	3.5
137.02451	7.4
155.03496	7.4
160.01631	1.8
161.04558	1.4
165.12837	1.2
173.04530	61.3
174.04872	1.6
175.03922	1.0
179.03369	0.8
191.05614	12.0
193.05043	2.8
207.13858	3.3
209.11824	8.6
225.14885	5.0
227.12846	42.6
228.13203	2.2
233.06593	1.9
237.09848	1.4
251.12906	1.6
269.13873	12.4
287.14969	100.0
288.15366	6.6
349.09335	2.3
367.10248	2.3
389.29614	0.7
418.10898	0.7
461.20236	98.6
462.20627	8.0
497.21329	0.7
637.24866	19.4
638.25421	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	637.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30881	0.1
59.01378	2.0
61.98820	0.2
64.37060	0.1
71.01387	0.6
73.02949	0.3
78.95901	2.6
79.95734	2.8
79.96185	0.2
83.05035	0.2
85.02940	0.4
87.00868	0.2
89.02445	0.3
93.03446	0.6
96.96005	100.0
97.36472	0.1
97.95935	0.3
101.02436	0.5
107.05044	0.2
109.02921	0.1
113.02428	0.4
114.93388	0.3
123.08160	0.1
135.04494	0.2
152.08456	0.1
161.09721	0.5
161.13322	0.1
163.11317	0.1
171.00624	1.5
173.04489	0.6
175.44978	0.1
187.11296	0.4
189.09290	0.2
189.12851	0.2
191.05659	0.5
205.12329	0.2
209.11816	1.0
220.80672	0.1
227.12921	0.2
249.11371	0.2
264.91519	0.1
269.28961	0.1
299.18585	0.3
329.80478	0.1
371.95731	0.1
399.27945	0.1
435.23761	0.8
453.25046	0.2
473.18478	0.2
495.25885	0.7
496.26514	0.1
497.86044	0.1
533.21271	0.2
533.29663	0.1
551.22095	0.2
593.35248	0.2
595.33337	0.2
619.31561	0.1
637.32556	2.2
638.32782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59042	0.1
59.01375	1.8
64.56074	0.1
69.27453	0.5
69.27878	0.5
71.01357	0.5
72.99329	0.1
73.02934	0.3
75.00886	0.1
78.95913	0.4
79.95732	3.1
81.03421	0.1
83.01340	0.1
85.02952	0.2
87.00840	0.1
89.02440	0.3
93.03455	0.4
96.96004	100.0
97.95937	0.3
101.02441	0.4
113.02428	0.3
114.93398	0.3
125.02391	0.1
135.04552	0.1
135.67360	0.1
149.17262	0.1
151.00246	0.1
151.07692	0.2
161.04591	0.2
173.04552	0.5
191.05632	0.7
239.16534	0.1
387.16843	0.1
435.23965	0.3
453.24948	0.1
495.26096	0.2
551.21686	0.2
593.35419	0.6
594.36340	0.2
637.24219	0.2
637.33313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98814	0.1
69.30385	0.7
71.01381	0.4
73.02932	0.2
78.95890	1.5
79.95729	3.0
83.01399	0.1
85.02938	0.1
89.02477	0.2
93.03442	0.3
96.96001	100.0
97.95932	0.3
101.02449	0.3
113.02430	0.2
114.93394	0.2
122.04868	0.1
126.26331	0.1
138.43982	0.1
148.68373	0.1
151.26242	0.1
152.08371	0.1
163.11128	0.1
169.10176	0.1
171.00607	0.9
173.04524	0.3
191.05598	0.3
193.12326	0.1
221.39455	0.1
225.15010	0.2
227.12817	0.2
253.09152	0.3
299.18582	0.2
341.23251	1.2
347.43097	0.1
435.23795	0.4
436.23920	0.1
453.24936	0.2
495.25912	0.8
496.26324	0.1
533.20825	0.1
577.32098	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	635.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
59.01376	25.1
61.98814	1.5
66.31810	0.6
69.61248	3.7
71.01381	7.8
72.99303	0.9
73.02924	2.2
75.79472	0.6
78.95883	0.9
81.03424	0.7
83.01381	0.6
83.05021	1.8
84.69650	0.5
85.02920	3.9
87.00864	3.2
88.98792	1.0
89.02436	3.5
93.03437	2.3
95.05004	1.1
96.95999	5.4
97.02943	1.0
97.06580	1.9
98.08455	0.6
99.00858	0.9
101.02437	4.3
107.05016	4.9
109.06625	0.6
111.04498	1.1
113.02477	3.7
113.06039	0.9
119.03468	0.5
120.05789	1.5
135.04485	2.9
135.08124	0.8
137.02411	0.9
138.06851	2.4
139.07683	0.6
141.05589	0.9
146.07359	1.0
149.09865	0.6
151.07599	1.6
152.04767	1.3
152.08409	1.4
153.09216	7.7
157.06592	1.1
161.04504	1.4
161.09705	11.0
161.13297	3.2
163.11230	3.0
171.10309	0.8
173.04594	4.1
179.10822	0.9
187.11261	12.2
189.09213	7.8
191.05621	5.4
192.05954	0.7
196.05327	0.6
203.10735	1.5
205.12318	11.1
206.12610	0.8
207.10181	3.5
209.11743	0.7
223.13376	1.8
231.10318	0.9
249.11298	6.6
267.12372	1.7
287.22067	0.7
385.18552	1.0
416.67633	0.7
515.31622	0.7
591.33929	3.8
592.34253	0.7
617.29840	0.8
635.30664	100.0
636.20520	0.9
636.30963	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	635.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63280	0.9
55.01873	1.5
57.03437	1.7
58.00581	1.5
59.01374	100.0
60.69595	0.9
69.03431	1.1
69.45537	1.5
69.45940	6.0
71.01378	47.3
72.99294	3.1
73.02939	16.8
78.95926	1.9
79.95734	2.2
81.03436	0.9
83.01393	5.6
84.57228	0.9
85.02943	13.4
86.52675	0.9
87.00864	3.5
89.02435	28.4
93.03442	3.1
95.01379	3.5
96.96001	85.5
96.96973	3.0
99.00877	3.0
99.04510	3.4
99.08094	1.2
101.02435	26.1
103.00379	2.4
113.02439	34.2
115.03989	2.2
117.05602	2.1
119.03496	12.5
120.78502	0.9
121.58570	1.0
125.02403	1.8
131.03497	2.4
137.09673	1.5
138.50754	0.9
143.03488	4.6
143.07095	1.1
144.23628	0.9
149.04549	1.5
155.03502	1.1
161.04565	13.7
161.08170	34.7
162.08461	1.4
173.04532	4.2
175.03998	1.8
179.05597	7.6
189.12778	1.1
191.05626	5.5
198.67442	1.0
203.09261	7.7
207.13834	1.4
229.40767	1.0
246.99896	0.9
271.80057	1.0
349.45230	1.1
369.19180	3.8
387.20120	3.6
413.14642	2.5
429.21301	1.0
531.24414	52.8
532.24695	6.2
536.11414	1.1
549.25555	22.6
550.25916	2.8
591.26587	12.6
635.21429	1.8
663.10870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03440	1.0
59.01089	0.7
59.01377	12.9
60.99296	0.7
61.98814	0.5
62.33977	0.4
67.01885	5.8
69.03447	1.5
69.32409	3.8
71.01379	10.6
73.02943	4.0
77.32507	0.4
77.58718	0.5
80.82015	0.4
81.03448	1.3
83.01382	1.4
83.05025	1.2
85.02950	2.8
85.41724	0.4
87.00868	1.7
88.98790	0.4
89.02440	2.8
93.03452	35.0
94.03770	1.0
95.01377	0.6
96.44725	0.4
96.65993	0.4
96.96002	3.9
98.20635	0.8
98.95566	0.4
99.00864	1.2
99.04528	0.9
101.02436	4.6
109.02936	1.2
111.00897	1.5
111.04504	5.1
113.02426	2.8
119.03458	1.3
124.53750	0.3
125.02450	0.5
127.04018	0.9
135.04509	0.6
137.02423	6.7
143.03546	0.4
151.06438	0.4
155.03500	6.0
161.04660	0.4
173.04533	100.0
174.04839	2.9
176.02371	0.4
191.05600	2.8
195.13931	3.5
213.14938	1.5
315.98184	0.4
357.19135	2.0
358.19281	0.4
375.20251	6.8
417.21277	31.7
418.21619	2.2
557.13538	0.4
588.84570	0.4
591.26471	36.0
592.26776	4.4
636.36047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94475	0.5
55.01860	0.8
57.03438	1.5
58.00577	1.3
59.01374	60.2
59.24006	0.5
60.01687	0.8
69.03423	0.6
71.01375	33.2
71.39319	0.7
72.99297	0.9
73.02941	12.9
75.72578	0.5
77.83485	0.5
78.95893	2.8
79.95718	3.3
83.01377	4.6
85.02943	11.4
85.80572	0.6
87.00848	2.3
89.02438	20.3
95.01379	4.4
96.96004	100.0
96.96888	5.1
99.00889	1.8
99.04552	0.7
101.02436	19.7
108.21929	0.7
113.02437	24.8
115.04027	0.9
119.03486	8.8
122.36687	0.6
125.02439	1.5
129.01987	0.5
131.03479	0.9
137.09731	1.3
143.03520	3.4
143.04439	0.5
159.02975	0.8
161.04541	8.6
161.08168	6.2
164.62944	0.6
173.04526	1.1
179.05571	4.6
191.05650	2.5
203.09195	1.3
225.14885	0.6
259.13974	0.6
369.19098	3.5
387.20435	2.7
446.58032	0.6
511.06549	0.6
531.24408	39.3
532.24780	4.4
549.25519	20.1
550.25574	3.0
591.26526	8.5
592.26306	0.7
635.22858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.6
62.03283	0.9
69.34763	7.4
71.01376	3.7
72.97536	1.2
73.02943	2.0
77.79115	0.7
83.01387	1.0
84.38978	0.8
85.02937	2.3
89.02426	1.9
93.03434	2.3
93.83579	0.8
96.96001	6.9
98.95564	1.0
101.02438	4.0
113.02432	2.2
117.59929	0.8
129.01886	0.9
135.04543	1.1
137.02405	1.3
142.10219	0.9
160.01631	3.4
161.04539	2.0
173.04485	3.1
175.03949	1.9
175.42010	0.9
179.07092	2.6
190.06290	1.9
191.05621	5.3
201.11267	1.0
203.07179	1.0
221.06555	1.0
222.05237	3.3
224.08398	1.3
225.05606	0.9
234.07098	0.8
237.05339	0.9
238.06329	1.2
239.07043	1.2
240.07825	2.9
243.06473	1.2
244.07376	1.1
250.06271	1.1
251.07040	1.0
253.05103	1.1
253.08611	1.7
255.10208	1.1
259.06058	2.6
267.06555	1.5
268.07379	8.6
269.07822	1.1
277.04837	1.2
279.06580	1.6
280.07309	3.3
281.08026	1.2
283.06271	1.2
283.09686	9.5
284.06772	3.2
293.08054	1.9
294.05453	1.0
294.08856	1.1
295.05844	1.1
296.06891	5.3
297.07559	1.0
299.09222	3.9
307.05875	1.5
308.06885	4.5
308.10068	0.9
309.07700	6.9
311.09137	2.9
312.06375	10.8
312.09695	1.4
321.07715	0.9
322.08398	3.5
323.09204	12.7
324.06287	5.5
324.09985	7.7
325.10245	1.1
327.08688	30.3
328.08899	1.9
337.10892	1.4
338.11459	5.5
339.08694	40.0
339.12344	5.5
340.09058	2.5
342.11041	31.4
343.11368	3.0
353.10187	1.8
354.11008	13.6
357.13394	100.0
358.13736	7.4
369.13385	91.5
370.13651	7.6
437.14536	2.2
549.65698	0.9
634.33844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32111	0.3
61.98824	100.0
68.98492	0.3
70.35161	0.9
78.36819	0.2
88.71611	0.2
106.27464	0.2
228.98392	0.2
485.73923	0.3
594.37579	0.2
637.98145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.2
61.98836	0.6
65.94785	0.1
69.26495	1.1
71.01372	0.1
78.95899	1.5
79.95732	2.5
83.82738	0.1
86.79935	0.1
96.96003	100.0
97.95965	0.2
98.20654	0.3
131.83498	0.1
143.24623	0.1
152.99580	0.2
171.10320	0.1
173.04497	0.3
174.19946	0.1
191.05595	0.2
207.10217	0.2
247.08723	0.1
253.84497	0.1
324.80872	0.1
436.57620	0.1
607.70013	0.1
632.28748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54041	0.4
57.92798	0.5
59.01373	2.1
61.98823	0.6
71.01378	0.6
71.63625	0.8
73.02941	12.3
75.00873	3.3
89.02425	0.7
99.00880	4.8
99.91944	0.9
99.92574	11.1
114.93445	0.4
115.04008	0.7
116.03539	1.0
116.07174	2.7
116.92854	100.0
116.97243	10.6
117.01937	21.4
117.02785	0.8
117.05553	3.1
117.92865	3.9
133.73410	0.5
144.82993	0.5
159.59526	0.5
175.97729	0.5
277.21658	2.3
376.50854	0.5
635.32013	0.5
658.38208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
60.29850	0.3
61.98828	3.1
71.01366	0.4
75.51630	0.2
78.32114	0.3
78.95899	1.7
79.95730	2.4
82.95451	0.3
85.02924	0.3
87.00887	0.3
93.03442	0.5
94.61366	0.2
96.96001	100.0
97.95932	0.4
98.95583	0.7
103.35449	0.2
104.27023	0.3
150.32959	0.3
152.99521	0.4
167.60005	0.2
171.10349	0.3
173.04533	1.1
182.25922	0.2
191.05591	1.1
199.49603	0.3
207.10185	0.3
211.28833	0.2
253.09305	0.3
369.14731	0.3
371.35928	0.3
461.20038	0.4
630.27374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58983	0.5
56.04369	0.5
59.01374	19.1
60.99302	17.7
61.98809	0.9
68.11429	0.5
71.01372	5.0
71.63164	0.7
72.99287	0.6
73.02940	3.5
74.35732	0.5
83.01385	1.9
85.02952	2.7
86.12105	0.5
87.00874	1.0
88.98798	100.0
89.02432	2.7
89.99119	1.1
91.12704	0.6
93.03444	3.3
96.96017	6.2
99.00893	1.5
101.02435	5.0
109.02927	0.7
113.02437	3.8
118.08095	0.5
119.03490	1.2
134.03717	1.2
135.04510	2.6
137.02406	0.6
143.03531	0.6
149.04532	0.8
151.07614	2.3
152.08388	2.0
161.02440	1.3
161.04556	1.4
173.04558	5.8
179.03462	1.9
191.05630	7.1
209.11853	0.8
291.19406	0.6
352.08273	0.6
353.08801	0.8
389.14127	0.5
435.23837	13.2
436.24066	1.5
449.14474	0.6
453.24951	5.5
495.25943	21.0
496.26352	2.7
569.29510	0.9
579.35638	0.6
587.30743	1.4
614.45032	0.6
629.18005	0.9
629.31073	1.7
634.68860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.48804	0.3
57.03436	2.1
58.00589	2.0
59.01373	100.0
60.01712	1.0
61.98816	0.7
67.72540	0.2
68.99809	0.3
69.03458	0.9
69.66882	1.7
71.01376	49.2
72.01720	0.3
72.99303	3.8
73.02940	28.0
74.03270	0.4
75.00866	0.6
80.96515	1.3
81.03450	0.9
83.01378	5.7
85.02944	14.8
86.00071	0.5
87.00870	3.6
89.02437	44.3
90.02744	0.5
93.03452	1.1
94.97990	0.3
95.01389	3.6
96.96014	1.1
97.02940	2.5
98.20539	0.6
98.91376	0.4
99.00871	68.6
100.01215	1.3
101.02434	26.8
109.02916	1.5
111.00865	0.9
111.04537	0.9
112.01651	1.3
113.02438	30.3
114.02757	0.6
115.04027	0.3
116.59511	0.3
119.03489	7.4
121.10153	0.3
122.97519	0.4
125.02445	4.9
125.06077	1.2
127.04016	0.9
131.03482	10.5
135.04555	0.5
136.05284	2.0
137.02457	0.9
143.03490	5.5
146.03751	0.4
147.68755	0.3
149.04541	41.4
149.05959	2.2
150.04794	0.5
151.07631	6.6
152.08411	38.4
153.08865	1.0
155.03496	1.9
158.03688	0.3
159.03128	0.3
159.04553	0.6
161.02492	0.6
161.04544	12.1
162.04951	0.5
164.08347	0.4
165.09195	2.8
166.06352	1.1
170.05844	0.5
173.04544	2.0
178.09981	0.9
179.03387	0.3
179.05612	1.4
179.07076	0.7
188.08409	0.3
189.09288	0.4
191.05592	39.7
192.05989	1.4
196.07344	0.5
203.05582	11.5
203.07458	0.6
203.10739	5.4
205.12250	0.5
215.10725	1.1
217.12312	6.6
218.13040	3.5
219.05159	0.3
219.13681	0.4
221.06526	0.9
225.00647	0.8
231.13846	0.9
233.04283	0.7
233.06635	12.4
234.06892	0.4
235.13391	0.8
255.17357	0.3
259.16949	0.6
267.06506	0.8
268.07346	0.4
273.18582	7.1
274.19037	0.5
275.07614	0.5
291.16516	0.6
291.19635	7.9
291.22928	0.5
292.19849	0.5
293.05225	0.4
293.08664	4.1
301.16580	1.1
311.09839	0.7
319.18979	0.4
333.20706	0.8
335.09836	2.0
338.04160	0.4
343.17517	0.5
353.10852	0.8
365.13962	1.0
399.22021	0.3
406.65384	0.3
409.13147	0.5
415.19794	2.2
417.22906	1.0
420.21393	0.6
430.20248	0.3
433.20740	10.8
434.20871	0.8
435.10919	1.3
435.23795	21.9
436.24197	2.3
438.22519	1.4
453.24866	28.4
454.25302	2.8
465.25204	0.4
475.21765	26.3
476.22095	2.5
477.24792	0.8
495.25946	13.7
496.26666	1.9
549.26971	1.0
552.25323	0.5
567.28033	45.2
568.28394	6.1
571.23877	0.8
585.29077	53.7
586.29468	6.7
609.29187	0.5
612.27734	0.6
627.30157	68.8
628.30536	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	627.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01370	14.8
61.28066	1.2
61.98825	23.5
69.62725	2.7
69.63150	5.0
71.01376	6.1
73.02949	1.5
75.00850	2.1
78.95898	47.4
79.32565	1.1
79.95725	1.3
80.34660	1.1
80.96490	2.4
82.95409	1.8
85.02941	3.6
87.00854	1.6
89.02431	3.0
92.08064	1.1
93.03435	3.4
96.96012	8.6
96.96937	6.3
101.02416	2.8
113.02421	2.7
113.09727	1.7
125.02402	1.5
129.09184	1.6
134.03761	1.6
135.04486	1.2
143.70039	1.2
150.98041	1.3
152.99574	57.2
159.43834	1.2
169.12315	2.0
171.10179	2.5
173.04541	7.8
176.69890	1.1
181.12315	2.8
191.05577	9.8
193.05084	1.9
197.11772	8.1
199.09654	1.4
199.13391	4.7
209.11906	1.6
211.13422	11.7
212.13763	1.2
223.00092	5.6
232.73022	1.3
241.01173	20.3
259.02112	1.4
282.11383	1.2
293.21271	8.8
311.22180	18.2
312.22598	2.2
315.04758	6.1
534.23737	1.3
585.28699	2.9
627.27814	100.0
627.35645	3.6
628.28265	13.5
636.59167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01373	10.6
61.98822	10.5
69.03448	1.0
69.62098	1.4
69.62508	3.3
70.68121	0.7
71.01394	4.0
73.02943	1.4
75.00868	1.4
78.95896	40.5
79.95732	1.3
83.01364	0.9
83.05003	0.9
85.02936	2.4
87.00888	1.0
89.02448	1.9
93.03463	2.6
96.96006	4.9
96.96963	7.1
97.24919	0.7
99.08096	1.1
101.02415	2.5
102.37129	0.8
104.63694	0.8
111.04459	1.1
113.02445	2.5
113.09705	1.0
119.03484	0.9
125.07538	0.7
129.09200	3.2
141.78879	0.7
143.03447	0.8
151.11298	0.9
152.99570	45.0
155.87633	0.7
162.04764	0.8
169.12231	1.4
171.00691	1.1
171.10208	1.0
173.04546	4.3
181.12386	2.2
183.13867	1.7
191.05536	4.7
193.12434	0.9
195.01743	0.9
197.11836	6.3
198.12086	0.9
199.13387	4.4
209.11784	2.8
211.13364	7.8
221.11913	0.9
223.00060	6.2
240.98701	0.9
241.01147	16.1
259.02014	0.9
293.21140	6.3
311.22253	20.0
312.22662	1.9
315.04825	5.9
330.61319	0.8
342.71368	0.7
543.28137	1.3
580.34845	1.0
585.29248	3.2
627.27820	100.0
628.28296	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63445	0.2
53.72133	0.2
56.58663	0.2
59.01370	0.6
61.98818	0.5
63.03944	0.2
66.69714	0.2
70.03051	0.7
71.01379	0.4
73.02983	0.2
78.95899	4.2
79.95727	3.3
93.03452	0.3
96.33250	0.2
96.96001	100.0
96.96895	5.9
97.95914	0.3
98.19865	0.3
101.02412	0.2
120.52227	0.2
120.79949	0.2
126.94945	0.2
149.16731	0.2
149.51878	0.2
157.77275	0.2
161.88548	0.2
191.05597	0.4
211.13489	0.3
253.09375	0.4
266.24509	0.2
271.21063	0.2
291.03915	0.4
293.21320	0.5
349.39618	0.2
351.05963	0.5
354.09802	0.6
485.16769	0.2
506.91141	0.2
627.28558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2684
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
59.01370	2.5
61.98822	0.5
63.96221	1.1
67.78513	0.5
69.03445	0.8
71.01371	6.5
72.99306	0.6
73.02940	1.9
78.98581	4.2
79.95730	14.5
80.96510	50.7
81.03436	1.0
81.96928	0.5
83.01341	0.5
85.02953	2.3
87.00875	2.5
89.02482	0.6
93.03443	0.8
93.37956	0.4
94.98077	13.2
95.01379	0.4
96.95991	3.6
97.02948	1.1
97.06565	0.4
98.19836	1.0
99.00867	1.0
101.02438	2.7
106.98106	2.3
109.02938	0.7
113.02447	0.5
122.97555	4.4
125.02454	2.9
127.04018	0.6
134.97589	3.4
135.04500	0.5
136.99088	1.2
140.88812	0.5
146.97554	0.7
148.99150	4.5
152.98584	5.3
152.99664	0.8
164.98618	10.2
166.08641	1.2
171.10257	1.3
173.04555	1.3
178.99876	0.5
182.99622	2.3
191.05597	4.8
206.99597	2.8
211.13362	0.9
219.02792	0.6
225.00713	19.8
226.00882	0.7
229.14473	0.6
229.63774	0.5
243.01703	2.1
279.11450	0.4
299.04413	2.0
327.21680	0.7
435.10779	1.3
495.98746	0.4
627.26782	100.0
628.27087	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	626.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21813	1.1
61.98825	100.0
65.40404	1.2
70.10866	5.7
71.36636	1.3
75.78097	1.0
81.87649	1.1
119.42346	1.1
175.59915	1.2
191.32251	1.2
196.63029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	71.5
59.93956	1.0
61.98806	2.0
70.03922	3.5
71.01366	3.4
73.02932	1.1
84.49855	1.1
85.02949	2.2
86.79443	1.1
87.79702	0.9
89.02444	1.5
93.03434	2.8
96.96008	19.0
101.02397	1.2
121.02932	3.9
122.03742	5.2
123.04484	1.0
133.02948	1.5
135.04553	1.6
149.02437	28.1
150.03217	54.9
151.03789	1.8
160.01738	1.0
161.02444	7.4
163.03995	1.1
164.04802	8.7
165.05563	80.0
166.05925	3.3
173.04480	2.3
176.04758	4.8
179.03479	10.8
180.04277	6.1
185.11781	5.9
191.05563	7.0
191.07106	2.3
194.05841	16.4
195.06613	100.0
196.06940	4.4
202.31575	1.2
209.08182	42.5
209.11322	1.7
210.08466	2.5
213.03835	1.5
220.71378	1.1
223.66963	0.9
246.52094	1.0
342.11108	6.9
357.13385	45.1
358.13599	3.4
405.10281	1.7
405.15533	33.8
406.15546	3.5
515.42639	1.1
541.21991	2.3
616.59247	1.1
627.24933	7.8
628.26105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.4
59.01375	50.1
61.98832	37.5
66.63508	2.4
69.03461	4.2
71.01372	9.5
71.62947	2.1
78.95895	100.0
79.95737	5.5
80.02697	3.1
80.96512	3.1
81.03435	3.1
83.01380	8.9
83.05030	8.7
85.02953	9.8
87.00896	3.4
93.03439	11.0
95.96173	9.8
96.95983	6.2
96.96937	15.8
97.02959	3.7
97.06554	4.4
99.04472	3.9
101.02399	3.4
103.19028	2.3
109.02959	3.8
122.98536	15.9
125.00085	3.8
125.09741	18.8
134.03751	6.0
137.02412	4.7
138.97998	2.8
139.11310	4.0
141.09224	2.6
143.10672	2.9
147.09023	2.6
151.01685	3.8
152.01186	6.7
152.99576	37.3
155.03444	3.2
163.11258	5.7
165.12833	14.2
167.10754	14.7
168.04294	24.7
171.00478	3.1
171.10222	10.8
173.04549	13.4
179.03690	3.0
185.11867	4.3
191.05592	32.2
191.10741	3.0
193.05099	4.3
194.05751	9.5
197.11847	13.7
198.12088	4.7
209.11806	97.4
210.12151	6.4
211.13321	5.3
221.11876	4.6
222.05336	3.8
223.13353	4.3
224.06920	9.0
239.12895	8.1
242.07948	25.7
247.20572	9.9
265.21814	4.6
283.13364	3.8
291.16547	5.3
291.19647	76.1
292.20001	5.8
309.20718	53.9
310.20764	3.9
311.22134	9.3
323.22375	4.4
464.20517	11.5
470.90201	3.0
534.28284	15.1
552.29370	35.1
626.26740	14.4
626.77057	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	625.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
58.00584	0.5
59.01376	17.7
69.03448	0.7
69.50333	3.0
71.01381	12.8
72.01675	0.4
72.99310	0.7
73.02938	1.5
74.65445	0.3
80.02660	1.3
81.03460	2.2
83.01375	1.6
83.05020	6.3
84.02161	0.8
85.02942	2.8
87.00867	2.7
89.02439	13.4
93.03450	0.5
95.01385	1.0
95.05025	0.8
97.02943	2.3
99.00879	0.7
101.02441	11.2
113.02450	4.6
119.03497	4.5
125.02450	4.4
125.06067	0.8
131.03502	0.5
135.08147	0.9
143.03477	2.2
161.04550	3.2
163.11267	5.3
165.12819	2.8
177.01883	0.5
179.05580	3.5
181.12329	0.8
188.94292	0.4
191.05617	0.4
191.10828	0.9
207.06732	0.5
209.11815	100.0
210.12183	4.6
217.46356	0.4
221.06577	0.5
227.12865	19.6
228.13208	1.0
235.08177	5.1
253.09248	0.9
263.07739	0.7
268.27069	0.4
287.07736	1.4
305.08731	1.8
323.09875	0.6
397.13480	34.0
398.13907	2.2
402.86731	0.4
415.14502	20.8
416.14902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03424	0.5
58.00576	0.5
58.49789	0.3
59.01374	17.9
68.83023	0.3
69.03436	0.6
71.00983	0.7
71.01375	12.9
72.99296	1.0
73.02944	2.3
75.00857	0.8
80.02663	1.3
81.03451	1.5
83.01390	1.5
83.04542	0.5
83.05020	6.3
84.02171	1.3
85.02933	3.0
87.00855	2.5
89.02435	12.5
93.03432	0.6
95.01382	0.8
95.04989	1.2
97.02972	2.1
99.00856	0.4
101.02437	11.1
109.02959	0.4
111.00806	0.5
113.02444	5.4
119.03485	4.7
125.02446	4.3
125.06065	0.6
131.03476	0.9
135.08162	0.8
139.04008	0.4
143.03488	1.9
149.04521	0.6
161.04536	3.0
163.11250	5.0
165.12849	2.6
167.03500	0.4
173.04576	0.4
179.05597	3.0
181.12305	0.8
187.07559	0.5
191.05647	1.2
191.10791	1.3
192.51247	0.4
199.13412	0.6
203.05557	0.4
209.11803	100.0
210.12151	5.0
217.57904	0.4
221.06630	1.3
227.12866	21.7
228.13112	1.2
235.08202	4.7
253.09267	1.1
263.07742	0.7
271.02438	1.0
287.07675	1.3
299.01917	1.1
305.08749	1.4
316.02164	1.0
319.89645	0.3
323.09692	0.7
342.87659	0.4
362.11075	0.4
397.13458	32.8
398.13681	1.7
415.14511	19.4
416.14868	0.8
625.14001	1.5
625.26575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03449	0.8
58.00587	0.4
59.01376	25.0
61.98814	0.8
69.03448	0.8
71.01378	14.3
71.62623	0.6
72.99301	1.7
73.02941	2.2
75.00846	0.4
79.92179	0.4
80.02673	1.6
81.03457	2.1
83.01386	1.7
83.05015	6.5
84.02184	1.1
84.43770	0.3
85.02948	3.0
87.00865	3.6
88.98818	0.5
89.02440	13.6
91.03971	0.4
93.03460	1.0
95.01376	1.0
95.05037	0.6
96.96039	2.4
97.02396	0.3
97.02924	2.2
99.00874	1.2
101.02435	11.9
109.06581	0.9
110.12804	0.3
111.04513	0.5
113.02435	5.7
119.03502	4.0
125.02436	3.7
125.06052	0.6
131.03487	0.8
135.08134	0.7
143.03500	2.8
149.04538	0.6
150.62570	0.3
151.00349	0.5
161.02429	1.2
161.04509	3.0
163.11284	5.3
164.11623	0.6
165.12851	3.2
173.04509	1.7
176.04749	0.8
177.02075	0.4
179.03511	1.3
179.05600	3.3
179.07060	0.6
179.59851	0.4
181.12292	0.9
191.05621	3.4
191.10773	1.0
193.05002	0.9
194.05807	2.0
207.10226	1.3
208.10527	0.5
209.08226	6.0
209.11807	100.0
210.12138	5.0
214.41495	0.4
217.07295	0.5
221.06642	1.3
225.11346	1.2
226.11633	0.8
227.12886	19.9
228.13228	0.9
235.08179	5.1
245.06628	0.4
253.09290	1.4
263.07739	0.9
269.91165	0.4
277.09222	0.6
287.07788	1.2
299.01889	0.4
305.08755	1.3
323.09644	0.5
397.13458	35.6
398.13864	3.1
403.13919	0.6
415.14520	22.1
416.14883	1.5
417.15781	0.5
607.26245	0.7
625.26135	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	625.2659
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
64.69875	0.8
65.86797	0.9
71.62850	1.2
80.94119	0.8
85.57635	0.8
92.18789	0.9
96.95940	1.2
99.23858	1.0
106.09898	0.9
110.75771	0.9
134.06146	1.5
205.86456	0.9
213.10307	8.6
215.11778	1.2
277.21692	1.0
299.13956	2.3
356.14041	1.1
420.12042	1.4
432.12488	1.2
433.12766	4.2
434.13501	2.0
446.14136	1.0
447.14359	4.5
448.15335	9.7
449.15955	8.5
463.17697	19.0
464.18195	1.8
465.19168	1.0
477.19269	2.0
478.19992	2.5
479.20834	16.4
480.21097	1.5
490.16602	1.2
491.17114	24.7
492.17612	3.2
505.18826	3.9
506.19385	6.0
507.20453	2.6
520.21106	1.6
523.19659	3.6
525.24451	1.1
538.13971	1.5
538.22192	29.1
539.23059	8.9
593.23987	6.3
599.92291	0.9
625.26587	100.0
626.26990	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.8
59.01370	6.7
61.98518	0.9
61.98825	17.6
64.40000	0.6
69.03441	1.2
69.54906	2.7
69.55318	1.7
71.01366	3.6
73.02930	2.2
75.00868	0.7
78.95897	48.1
78.98581	0.8
79.95732	3.4
80.96503	7.0
81.95315	0.7
82.96100	1.2
83.05031	0.9
85.02941	2.5
87.00883	1.3
89.02438	1.4
92.74471	0.6
93.03436	2.6
94.98071	1.7
96.95993	3.3
96.96954	8.1
97.02940	0.9
101.02435	2.0
111.08148	5.6
113.02409	1.1
115.54626	0.6
125.02418	1.0
130.46024	0.6
134.03712	2.4
137.02451	1.6
141.09262	0.9
142.21416	0.7
152.99574	46.8
155.03477	0.7
163.11311	0.7
164.98592	1.3
165.12784	1.1
169.12325	3.5
171.00777	1.2
171.10211	2.8
173.04492	6.3
185.11659	1.0
188.37379	0.8
191.05583	6.7
193.05049	2.2
197.09988	1.4
197.11810	28.0
198.12120	1.1
199.13382	1.2
207.10262	0.7
209.11824	4.0
211.13322	3.8
223.00111	5.5
225.00685	2.8
227.00426	1.1
227.12872	1.1
241.01167	18.7
259.02274	0.9
263.20218	0.7
277.58188	0.7
291.19635	3.5
299.01804	1.5
301.85715	0.6
309.20718	11.1
310.20975	1.0
315.04892	5.2
327.21716	0.9
333.05847	1.1
367.09854	0.7
397.09268	1.1
422.49866	0.7
523.18347	5.8
537.19818	2.7
543.15808	0.7
548.96240	0.7
552.28784	1.3
579.19672	2.5
607.22723	0.9
625.26135	100.0
626.26440	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	625.2522
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
59.01375	5.3
61.98829	9.7
63.96230	1.2
65.49068	0.7
69.03448	0.9
69.89171	4.2
71.01380	7.8
73.02963	1.3
74.30477	0.8
74.78542	0.7
75.00869	0.9
75.38046	0.7
78.95901	6.5
78.98592	3.2
79.95734	100.0
80.96513	43.7
81.03455	1.3
81.13602	0.7
82.52438	0.7
85.02951	3.3
85.15369	0.7
86.71877	0.9
87.00886	2.1
89.02430	1.3
93.03458	8.7
94.03806	0.8
94.98081	10.0
96.96011	7.2
96.96963	0.9
97.02937	1.8
98.95554	0.8
101.02444	3.4
106.98073	1.4
109.06575	1.2
111.00840	1.0
111.04514	1.5
111.94732	1.8
113.02434	1.1
117.03452	1.0
122.97591	4.2
125.02409	2.3
125.09719	1.9
127.04031	1.3
133.02924	1.6
133.45917	0.8
134.03728	13.4
134.97559	3.8
135.04498	1.5
136.99115	2.5
137.02437	4.5
148.99118	5.1
149.06143	0.9
152.98576	3.1
152.99661	4.7
155.03496	2.4
160.01572	0.8
161.02339	0.9
161.04456	1.8
164.98621	8.4
167.10880	0.7
171.10281	0.8
173.04527	16.0
178.02713	1.5
182.99629	2.4
191.05641	7.0
193.05067	13.1
197.11768	4.4
206.99666	3.4
207.10236	1.0
208.10434	0.9
209.11880	8.3
211.13603	0.8
225.00726	22.5
225.02943	1.4
225.11316	1.0
231.10266	1.2
241.00266	3.9
243.01672	3.1
275.09195	2.2
298.03918	0.8
299.04504	6.9
309.20764	1.2
315.03970	1.0
330.02643	1.1
334.06882	1.2
343.89557	0.7
349.09189	2.5
359.66217	0.9
367.10275	5.7
371.06464	1.1
385.08249	1.7
399.09607	5.2
413.11145	1.3
449.14459	1.3
471.15225	1.9
497.16745	8.2
515.18719	0.9
537.83124	0.9
539.18018	37.8
540.18176	3.6
607.24078	6.8
608.23541	0.9
625.25458	64.9
626.26086	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	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
63.02448	0.4
65.00332	0.6
71.01383	1.0
71.62330	0.3
71.62785	0.6
72.21060	0.3
75.00858	0.9
83.01388	0.7
83.04989	0.3
84.78381	0.3
85.02969	0.5
87.00853	0.4
88.98811	0.5
89.02457	0.7
91.60893	0.3
93.03439	0.6
96.95994	4.0
99.00836	0.4
99.94575	0.3
101.02471	0.5
103.35180	0.3
107.01405	2.0
107.02006	0.3
109.02966	1.1
111.00860	0.4
113.02437	0.5
119.05026	1.2
121.02946	1.5
133.02980	0.4
145.74281	0.3
147.00882	0.6
149.02423	0.4
151.00372	6.7
152.00722	0.3
161.02335	0.4
163.00403	0.4
163.03979	1.5
164.01151	0.3
171.04555	0.9
175.00363	1.0
175.03993	0.9
178.99800	1.6
183.04515	0.3
185.06070	0.3
187.04018	0.9
189.01880	0.4
191.05649	1.8
199.03979	2.9
201.01941	1.1
203.03445	0.5
209.11841	2.0
211.03928	0.5
215.03448	1.5
226.02678	1.0
227.03453	3.1
228.03876	0.5
229.04932	0.6
243.02960	3.8
245.04620	0.5
254.02165	0.7
255.02934	2.4
271.02448	50.9
272.02838	3.4
273.03717	0.5
282.01654	0.6
283.02402	0.4
285.03943	0.4
299.01935	100.0
300.02585	15.2
300.05417	0.2
301.03500	41.8
302.03818	2.4
313.03409	1.3
343.04691	1.6
397.13281	0.6
413.68622	0.3
462.07983	21.4
463.08719	33.8
464.09003	3.0
505.10049	1.4
625.14008	87.4
626.14343	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	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
63.02448	0.4
65.00332	0.6
71.01383	1.0
71.62330	0.3
71.62785	0.6
72.21060	0.3
75.00858	0.9
83.01388	0.7
83.04989	0.3
84.78381	0.3
85.02969	0.5
87.00853	0.4
88.98811	0.5
89.02457	0.7
91.60893	0.3
93.03439	0.6
96.95994	4.0
99.00836	0.4
99.94575	0.3
101.02471	0.5
103.35180	0.3
107.01405	2.0
107.02006	0.3
109.02966	1.1
111.00860	0.4
113.02437	0.5
119.05026	1.2
121.02946	1.5
133.02980	0.4
145.74281	0.3
147.00882	0.6
149.02423	0.4
151.00372	6.7
152.00722	0.3
161.02335	0.4
163.00403	0.4
163.03979	1.5
164.01151	0.3
171.04555	0.9
175.00363	1.0
175.03993	0.9
178.99800	1.6
183.04515	0.3
185.06070	0.3
187.04018	0.9
189.01880	0.4
191.05649	1.8
199.03979	2.9
201.01941	1.1
203.03445	0.5
209.11841	2.0
211.03928	0.5
215.03448	1.5
226.02678	1.0
227.03453	3.1
228.03876	0.5
229.04932	0.6
243.02960	3.8
245.04620	0.5
254.02165	0.7
255.02934	2.4
271.02448	50.9
272.02838	3.4
273.03717	0.5
282.01654	0.6
283.02402	0.4
285.03943	0.4
299.01935	100.0
300.02585	15.2
300.05417	0.2
301.03500	41.8
302.03818	2.4
313.03409	1.3
343.04691	1.6
397.13281	0.6
413.68622	0.3
462.07983	21.4
463.08719	33.8
464.09003	3.0
505.10049	1.4
625.14008	87.4
626.14343	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	625.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10308	0.3
59.01385	1.6
62.80146	0.3
63.02391	0.5
65.00321	1.3
70.62684	0.9
71.01368	1.0
72.24574	0.3
83.01392	0.3
89.02427	0.9
93.03440	0.6
96.96009	1.1
101.02404	0.4
107.01383	2.4
108.02169	1.5
119.91125	0.3
121.02959	1.3
135.00870	0.8
148.01645	1.5
151.00362	8.1
163.00365	1.4
164.01125	0.6
168.40198	0.3
171.53537	0.3
173.04614	0.4
178.99828	5.0
187.04079	0.3
191.05573	1.6
192.00633	0.4
193.01471	0.3
199.03955	0.9
199.13306	0.4
201.01746	0.4
209.10042	0.3
209.11858	2.1
211.03870	0.4
215.03510	0.6
216.04256	0.5
225.11266	0.4
226.02737	1.5
227.03458	2.7
227.12840	1.9
228.04033	0.4
229.04913	0.5
242.81668	0.4
243.02953	9.8
244.03400	0.5
244.56119	0.4
245.04436	0.4
254.02258	2.1
255.02956	25.1
256.03207	1.6
271.02448	56.0
272.02890	4.3
273.03995	1.1
299.02029	3.0
300.02719	100.0
301.03372	20.0
302.03815	0.9
397.13513	1.2
415.14575	0.5
416.14682	0.3
445.07596	0.6
463.08823	5.2
463.14667	0.6
505.09943	0.4
625.14032	75.2
626.14355	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	623.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
58.00582	0.4
59.01376	4.5
61.98825	3.0
69.03432	0.3
69.83172	1.0
71.01376	1.9
73.02934	1.0
78.91894	0.3
78.95857	0.3
78.98607	0.3
79.95729	0.8
80.96508	2.6
82.08419	0.2
83.01388	0.3
85.02926	1.2
87.00857	0.3
87.04504	0.7
89.02440	1.0
93.03455	1.1
94.98075	0.8
96.95984	1.2
97.06599	0.7
98.20564	0.3
99.00845	0.6
101.02441	1.5
109.06593	1.0
113.02424	1.0
113.09689	0.3
122.97528	0.3
123.08154	1.0
125.02415	0.4
127.04034	0.3
134.97591	0.3
135.04503	0.4
135.08176	0.4
137.02438	0.4
139.11272	0.5
141.09261	0.5
141.12929	0.3
143.03531	0.4
151.00374	0.5
153.09190	0.8
157.12314	1.3
161.04559	0.4
163.11157	0.3
169.12334	0.9
173.04482	1.4
178.99910	0.5
181.12302	0.3
185.11827	2.2
191.05594	3.8
201.80009	0.3
207.10268	0.5
215.12897	1.4
225.00749	0.6
225.11346	0.4
229.14435	0.3
253.09192	0.4
255.02779	0.4
271.02533	0.3
284.03293	0.6
285.03824	0.4
311.22296	0.4
327.21777	1.3
327.25143	0.3
329.23309	1.5
339.25586	0.3
353.06226	0.4
355.24765	0.4
357.26447	4.4
358.26828	0.8
373.25955	1.5
375.27472	100.0
376.27832	8.6
379.67557	0.3
389.28986	1.8
417.28418	1.6
460.17236	0.3
503.32269	0.7
522.59387	0.3
525.16840	0.3
528.38892	0.3
543.15155	0.6
550.27734	0.4
563.29742	0.3
585.29108	0.6
623.13928	0.4
623.23523	5.2
623.33923	0.6
624.24115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	1.2
56.35411	1.2
56.42075	1.3
57.03441	7.3
58.00591	2.5
59.01376	100.0
60.01690	1.7
61.98826	15.2
67.01850	1.7
69.03428	1.9
69.50211	2.6
69.50625	7.4
71.01380	32.4
71.05015	1.4
72.99309	1.9
73.02939	12.0
75.91112	1.5
78.95904	9.0
78.98534	1.6
79.95739	3.7
80.96504	16.2
83.01390	8.3
85.02946	25.1
87.00864	7.7
87.04501	4.8
89.02441	11.4
93.03451	14.6
94.98056	4.9
95.01376	2.6
96.96005	4.4
97.02896	2.9
97.06576	2.4
99.00864	12.3
101.02437	16.8
109.06590	1.4
111.00859	4.7
111.04474	3.4
113.02442	16.0
118.51615	1.4
119.03490	2.8
123.08170	3.2
125.02433	3.4
125.09705	1.5
127.03973	2.4
129.01921	2.9
131.03464	1.8
133.02924	2.1
134.03746	2.0
134.97520	2.3
135.04514	2.6
135.56740	1.6
137.02382	2.5
137.09705	1.6
139.07655	1.5
143.03473	2.6
148.99124	2.1
149.04509	8.0
151.00322	1.8
152.98602	2.0
153.09186	4.5
155.03479	2.0
155.10802	1.7
160.01674	1.7
161.04497	4.4
164.98616	2.8
169.12296	2.3
173.04520	22.9
175.03911	1.8
178.99844	2.8
187.13335	5.4
191.05595	81.7
192.05949	3.6
203.12762	1.4
206.99568	2.2
207.10234	2.0
217.14381	29.2
219.85585	1.3
225.00722	4.3
231.15961	8.5
233.06610	1.4
241.17970	2.4
305.15952	1.6
329.60776	1.5
331.17563	7.9
349.18567	3.0
353.06659	3.4
357.26395	3.5
361.18881	1.8
375.27554	22.7
431.10028	1.5
449.14551	4.0
449.27475	4.0
501.30698	11.6
502.31235	2.8
519.31708	64.1
520.31982	6.6
523.69653	1.6
537.32593	11.9
543.15338	2.7
561.15778	2.8
561.32635	7.5
563.30420	14.6
564.30408	1.6
579.33691	6.1
581.31720	14.6
623.23456	38.3
624.24274	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	623.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45617	0.9
55.24739	0.9
57.03442	5.1
59.01376	50.6
61.98804	1.4
64.02305	0.9
69.83801	5.8
71.01382	33.3
72.97477	1.0
72.99269	1.2
73.02943	21.5
76.36459	1.0
76.59893	0.9
77.45225	0.9
81.03471	1.4
83.01372	3.7
83.63258	0.9
85.02943	13.4
87.00877	3.0
89.02435	25.3
93.03443	4.9
95.01383	2.4
95.34876	1.1
96.96007	12.8
97.02956	2.7
99.00874	58.6
100.01230	1.3
101.02428	15.3
106.52038	0.9
109.02952	2.2
109.06582	3.5
111.00850	1.1
111.04505	1.9
113.02443	13.1
114.60066	0.9
119.03481	4.2
121.02915	1.4
125.02406	4.5
127.03956	1.9
131.03462	5.8
134.07404	1.3
136.01674	1.2
137.02460	1.7
139.07500	1.6
143.03499	3.3
144.00748	1.2
149.02452	1.1
149.04549	15.9
149.09706	23.5
150.03214	1.9
151.00330	2.0
151.03918	1.8
152.50378	1.1
153.09193	3.9
155.03415	1.2
161.04550	6.4
161.09738	1.3
163.11240	3.4
167.10754	25.7
168.11057	1.1
173.04489	3.9
179.05632	2.4
187.07813	1.0
191.05603	51.8
192.05922	3.4
195.06584	2.6
203.05544	5.2
203.10864	1.4
207.10263	7.9
225.11288	11.9
225.14806	1.6
233.06596	3.8
235.06383	3.0
257.08179	1.2
267.06619	2.9
282.08981	3.3
297.11374	5.1
327.12292	4.8
345.13275	3.3
375.14395	5.1
387.20132	2.3
397.13425	1.6
405.21396	1.6
415.14465	2.8
447.22287	10.5
519.24463	5.1
527.09833	1.1
537.25604	12.9
549.59869	2.3
550.10266	1.6
579.26550	100.0
580.27051	13.2
623.15967	1.5
623.25592	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.90303	0.6
57.03446	0.6
59.01376	23.7
60.99313	1.0
61.98829	9.4
69.03453	1.6
69.35907	5.5
71.01377	17.5
72.99297	1.6
73.02944	2.6
75.00871	0.6
78.95895	5.0
80.02666	0.9
80.96536	1.5
81.03458	2.3
83.01396	2.4
83.05011	3.1
84.02180	0.9
85.02953	4.7
87.00864	4.0
88.98808	4.3
89.02444	14.2
93.03464	2.0
95.01357	0.9
95.04985	0.8
96.95981	1.1
96.96946	1.1
97.02947	10.6
97.06580	0.7
99.00880	3.9
99.04489	0.7
101.02438	9.9
107.05037	0.9
109.06583	27.3
110.03732	2.0
110.06924	1.0
113.02443	6.0
119.03496	3.5
121.06590	2.0
123.04527	0.9
125.02435	4.2
131.03444	0.6
135.04521	1.3
135.08153	4.2
136.05278	1.7
141.01900	1.0
142.02707	3.3
143.03447	1.7
151.00369	0.6
152.99539	2.8
160.72073	0.6
161.04556	2.4
161.09720	2.4
163.11276	17.8
173.04521	2.2
179.05588	2.5
179.10767	1.1
181.12350	7.0
189.09108	1.0
191.05597	5.3
197.11816	0.8
207.10246	93.1
208.10577	4.8
209.11795	1.9
221.06654	1.7
225.11299	76.3
226.11620	4.4
233.41861	0.7
235.08243	3.2
241.01149	0.8
243.12344	2.1
253.09311	1.0
299.14914	2.9
305.08569	0.7
353.08908	0.8
379.12613	0.7
397.13477	25.2
398.13666	1.7
415.14520	19.9
416.14847	0.9
443.18814	1.6
461.20529	1.0
464.21304	1.0
522.37799	0.7
523.95453	0.7
605.24335	1.8
623.25452	100.0
624.25903	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	623.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90665	0.4
57.03447	0.4
59.01376	9.4
61.98826	16.1
63.08186	0.4
63.96234	1.2
69.03447	0.8
69.83207	2.1
71.01379	11.3
71.05012	0.5
72.99300	1.0
73.02954	3.1
74.99076	0.6
78.95892	1.2
78.98579	4.6
79.95733	15.2
80.96510	62.9
81.03448	1.4
82.95411	1.2
83.01398	0.5
83.05019	0.7
85.02950	4.8
87.00869	3.3
88.91069	0.4
89.02441	1.6
93.03435	3.0
94.98076	14.3
95.01401	1.0
95.05015	0.6
96.96003	3.5
97.02933	1.8
99.00861	1.4
99.04502	0.4
101.02438	4.8
106.98092	2.3
109.06606	0.4
111.00882	0.4
111.04517	0.5
113.02435	2.3
118.98055	1.6
122.97561	5.9
125.02440	3.8
127.04009	1.4
134.97554	4.9
135.04521	0.8
136.99132	1.9
137.02469	2.0
141.01787	0.5
141.10919	0.4
143.03491	0.6
148.99144	5.8
152.98619	5.7
152.99681	0.8
161.04485	0.7
163.11348	0.4
164.98605	11.5
171.10152	0.6
173.04543	3.7
179.03412	0.5
182.99631	2.4
188.94804	0.4
191.05629	7.2
206.99622	3.4
207.10260	2.0
209.11812	0.9
225.00714	19.2
225.11284	2.4
239.06981	0.5
239.76067	0.4
243.01671	2.2
282.08990	0.6
299.04462	2.5
335.07477	0.4
371.06808	0.5
397.13437	0.5
460.17743	0.5
503.32596	0.6
537.19623	1.0
549.26807	0.4
579.32550	0.6
581.31909	0.5
587.30695	3.1
605.22620	0.7
623.23676	100.0
624.24011	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	623.1611
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03431	0.5
58.45412	0.5
59.01088	0.7
59.01376	11.6
61.98820	0.9
63.02368	0.6
65.00322	1.1
71.01366	5.5
73.02938	0.8
80.02699	0.6
81.03439	1.2
83.01376	1.2
83.05017	1.0
85.02942	2.7
87.00866	2.2
89.02441	4.6
93.03440	1.2
95.01360	0.6
96.95990	2.5
97.02943	4.4
99.00874	1.1
101.02435	3.9
107.01374	1.4
109.02934	0.5
109.05870	0.7
109.06581	10.8
111.04515	1.0
113.02432	1.7
119.03484	1.4
119.13568	0.4
121.06594	0.8
125.02423	1.5
135.08159	1.1
137.02426	0.5
142.02667	0.8
143.03517	0.7
145.02895	1.0
151.00359	5.7
161.02452	0.9
161.04568	1.3
161.09813	0.7
163.00371	0.6
163.11267	5.5
164.48671	0.5
167.07111	0.6
173.04500	1.9
175.03958	1.0
178.99770	1.0
179.05569	1.3
179.10782	0.5
181.12323	2.4
183.04483	1.7
187.03999	0.8
189.01936	0.5
191.05576	8.1
191.07126	0.8
199.04010	5.2
201.01938	0.5
203.03351	0.8
204.04239	0.5
207.10251	30.7
208.10532	1.2
209.11838	0.7
211.04004	0.8
215.03525	2.5
217.01331	2.1
225.11288	23.3
225.13519	1.2
227.03468	5.2
228.03787	0.6
235.08122	0.8
241.01416	0.9
242.02188	3.1
243.02948	24.1
243.12331	1.1
244.03438	1.9
254.02084	1.0
255.02943	13.1
256.03479	1.1
257.04529	3.7
270.01627	3.7
271.02441	36.6
272.03082	3.2
282.01633	1.1
283.02383	3.0
285.03979	6.5
286.04745	2.5
287.05469	1.1
299.01923	55.2
300.02637	19.9
301.03287	0.9
309.00467	1.0
313.03458	0.8
314.04279	48.7
315.05026	35.0
316.05322	2.0
327.01144	0.6
357.06110	0.6
389.16003	2.0
397.13483	8.6
398.13895	0.7
415.14569	6.8
579.27191	0.8
605.24719	1.8
623.15973	100.0
623.25616	29.2
624.16968	11.2
624.25940	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	623.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10920	2.7
71.01375	6.4
71.62386	3.6
80.29116	2.7
80.29643	2.3
81.03423	3.5
85.02921	3.9
93.02910	4.0
93.03455	44.4
96.95987	7.1
97.21823	2.2
111.04491	4.3
119.04970	3.7
133.98039	3.0
137.02429	53.3
155.03471	4.0
163.03998	3.2
166.55760	2.6
173.04535	100.0
174.04883	4.4
179.03452	4.2
191.05582	8.7
204.74811	2.6
311.07721	35.3
312.07892	3.4
333.27170	3.3
339.31573	2.5
623.17908	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	621.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84150	1.7
61.98825	2.6
70.44249	3.1
70.44582	3.2
72.87328	1.7
78.95880	2.9
82.72545	1.6
86.29998	1.6
101.86787	1.9
123.04549	3.1
123.08143	5.5
139.11240	4.0
151.11235	3.0
199.13377	13.8
245.19086	6.5
277.21643	15.8
289.18057	60.7
290.18414	2.8
307.19122	100.0
308.19452	7.7
316.77667	2.1
328.90961	1.8
392.81332	2.1
551.92798	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	621.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95612	3.2
51.94445	3.1
55.46240	3.0
59.01375	54.4
61.72503	3.0
69.37321	22.8
71.01376	36.1
73.02942	15.1
83.01418	3.4
85.02952	14.8
89.02431	25.9
91.52370	2.9
96.95999	6.0
99.00893	22.0
101.02438	16.6
113.02431	24.7
119.03483	5.7
123.08144	11.0
129.23036	2.9
137.09665	3.6
143.03488	3.2
149.04555	6.3
161.04527	11.5
163.11270	12.0
166.09538	3.1
166.68121	2.8
173.04503	5.2
189.12820	17.6
191.05542	10.7
207.13875	25.5
233.06618	3.2
352.82352	3.2
429.20877	3.5
501.23410	42.9
502.23752	3.7
519.24396	100.0
520.24750	10.9
541.78455	3.1
561.25458	50.6
562.25891	6.3
648.97083	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	621.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27670	0.9
57.03429	1.8
59.01092	2.0
59.01375	35.7
65.50327	1.1
70.05739	4.6
71.01377	25.1
72.30672	1.1
73.02941	8.5
81.03449	1.2
83.01380	2.5
84.02146	3.2
85.02933	5.6
89.02432	8.8
93.03439	1.4
95.01360	1.3
96.95981	4.1
99.00877	14.6
99.04504	1.7
101.02428	7.9
109.06580	1.6
113.02435	7.2
121.06609	1.8
125.02377	0.9
131.03482	1.9
137.09656	1.3
139.07663	1.7
143.03537	1.6
144.08757	1.0
149.04539	4.0
149.09671	3.1
151.00340	1.6
161.04546	3.4
164.42097	0.9
171.08154	1.5
173.04518	1.5
175.11186	2.9
177.12820	3.9
179.10727	3.8
187.11177	1.1
188.08394	2.4
191.05626	10.3
193.12270	1.8
203.05614	2.4
205.12302	21.9
206.12535	1.2
223.13382	35.6
224.13686	1.8
233.06546	1.5
237.51857	0.9
241.14438	15.4
334.97961	1.0
385.18765	1.4
400.27399	1.0
442.49210	1.0
445.20743	5.5
511.12759	1.0
535.23834	14.3
536.24286	1.1
559.23737	2.5
577.24939	100.0
578.25385	12.9
583.48035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05595	1.5
57.03453	1.9
59.01091	2.8
59.01376	47.7
69.74985	9.6
71.01379	34.3
73.02946	13.9
75.56542	1.6
76.98689	1.6
82.95403	3.9
83.01395	4.7
84.02137	5.0
85.02936	16.2
87.00857	3.8
89.02431	13.8
93.03444	9.1
95.01374	1.6
96.96008	43.1
97.02950	1.9
98.19791	1.9
99.00874	27.0
99.04507	3.6
101.02421	12.4
109.02954	1.7
111.04516	3.5
113.02453	12.7
121.06565	1.9
131.03517	3.2
137.02371	2.1
137.09781	1.9
139.04077	1.7
149.04543	6.9
149.09708	3.3
151.00354	4.2
152.01164	2.2
155.03511	1.9
161.02539	3.6
161.04539	7.5
161.08185	1.7
171.02995	1.6
173.04587	12.7
175.11246	3.5
177.12842	3.2
178.99821	2.2
179.07037	1.7
179.10776	5.0
188.08279	2.1
191.05592	54.7
203.05632	5.0
205.12308	26.0
205.39052	1.8
223.13365	36.4
224.13797	2.6
233.06561	2.4
241.14368	16.9
335.09885	2.1
342.81396	1.6
361.09528	4.2
396.43738	1.8
422.59671	2.0
426.66415	1.8
445.20801	3.5
459.14868	4.7
517.22980	4.0
535.24194	15.4
536.24194	2.3
549.09131	2.3
577.24951	100.0
578.25574	9.3
621.11151	2.3
621.20844	4.7
636.24841	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	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73977	0.4
57.03453	1.1
59.01375	100.0
60.01703	0.5
61.98817	1.5
65.00330	0.7
67.01887	0.5
69.30684	2.6
69.31106	1.7
71.01378	7.7
72.99333	0.6
73.02941	1.8
78.95889	0.5
83.01393	2.0
85.02947	2.9
87.00849	1.0
89.02444	4.0
93.03445	2.2
94.85080	0.4
95.01395	0.7
96.96008	10.1
97.02946	0.6
98.20647	1.0
99.00893	1.2
101.02456	4.1
107.01424	0.7
111.04552	0.5
113.02424	4.3
118.98087	0.7
119.03487	1.5
121.03016	0.5
125.02463	1.3
131.03490	0.5
135.04536	0.8
143.03542	0.6
145.02943	0.9
151.00343	3.5
152.01158	0.7
161.04561	1.6
163.03987	0.6
173.04562	2.8
178.99881	2.5
179.05580	0.6
190.99899	0.5
191.05595	9.0
201.11282	1.7
215.07042	0.8
221.06233	0.8
235.07619	1.0
245.05988	0.5
247.07376	0.5
253.08763	2.2
255.03020	1.3
263.07059	3.1
265.08807	0.6
281.08115	6.7
282.08722	0.8
291.06516	2.2
292.07343	0.9
293.08188	2.0
294.08929	1.4
294.67960	0.6
295.09631	0.5
296.10580	1.4
307.09717	1.4
308.10440	2.6
309.07660	27.9
309.10739	0.9
310.07925	1.9
312.02695	2.7
313.03604	0.8
323.09293	6.2
324.09995	20.5
325.10217	1.3
339.12332	82.9
340.12653	6.1
353.06647	0.8
373.26227	0.6
397.09311	1.1
517.26288	5.3
518.27246	0.6
535.27301	5.1
537.18085	0.5
543.15167	0.7
548.09052	0.6
559.14795	3.1
561.29242	2.2
577.29431	0.5
579.30090	1.7
620.35852	0.6
621.14447	3.2
621.30383	0.9
622.14630	0.6
622.38135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01614	0.4
55.15029	0.4
57.32069	0.3
59.01373	3.1
59.12196	0.3
65.54785	0.3
71.01381	0.8
73.02917	0.6
81.03436	0.4
85.02952	0.6
89.02462	0.5
93.03456	0.9
95.01424	0.6
96.96024	1.2
101.02461	0.6
109.02962	2.2
113.02482	0.5
116.92866	0.8
121.02961	0.9
123.00880	1.9
123.04520	0.4
124.01659	0.4
125.02448	0.7
136.01663	1.5
137.02435	9.1
139.00359	0.5
139.03995	0.8
149.02451	1.2
150.03242	0.5
151.00365	17.5
151.03976	3.2
152.01088	1.4
152.04779	2.1
153.01875	0.5
155.03523	0.4
163.03975	0.8
164.04785	0.5
165.01915	1.1
166.02699	55.0
167.03288	3.1
173.04555	0.8
175.03954	1.2
175.07652	0.3
177.01939	2.7
177.05490	0.4
178.02733	0.5
179.03539	0.6
181.05051	65.9
182.05338	2.4
184.03778	0.7
190.02695	0.4
190.06371	1.1
191.03615	0.6
191.05624	1.5
192.04234	1.5
193.05089	1.0
195.02876	0.4
205.05096	1.2
205.08609	0.8
207.06566	1.2
207.14474	0.4
209.04503	0.6
219.06602	0.4
271.06253	0.3
283.05984	0.3
329.10101	0.4
341.10303	0.5
357.09772	0.4
357.13388	2.3
359.11301	1.8
371.15085	0.5
387.10815	13.3
388.11096	0.5
402.13126	6.9
403.13498	0.7
417.15500	100.0
418.15839	9.4
482.85837	0.4
502.47113	0.4
511.17657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.8
71.01379	3.6
73.02939	1.0
83.01362	0.4
85.02962	0.9
87.00858	0.5
88.15920	0.3
89.02444	2.4
93.03464	0.6
95.01324	0.3
96.96017	2.6
99.00868	0.9
101.02442	2.1
113.02451	1.4
117.03448	1.0
117.05453	0.3
119.03519	1.1
119.05047	0.4
120.61713	0.3
120.62709	0.3
121.02928	3.6
122.03233	0.6
127.19375	0.3
132.02176	0.8
133.02945	20.5
134.03654	0.7
135.04510	10.1
135.06644	0.7
137.02429	0.4
149.06013	0.7
161.02429	100.0
162.02777	3.5
173.04472	0.7
177.05620	0.6
179.03479	8.1
180.03850	0.7
191.05556	2.4
192.44890	0.3
203.84880	0.3
205.12311	1.3
221.04506	1.1
223.13374	1.0
229.62816	0.4
241.14478	0.4
251.05579	0.7
281.06659	1.5
295.08273	0.5
323.13565	0.6
459.15033	88.1
460.15369	8.2
535.24402	0.6
543.85333	0.4
577.24792	3.4
600.10394	0.3
621.20203	13.0
622.20538	1.2
628.61731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
55.19456	0.7
57.03458	0.9
58.00583	2.8
59.01374	100.0
67.01881	0.8
69.03458	0.8
71.01378	51.6
71.17063	0.7
72.99290	4.3
73.02941	26.1
75.00858	0.9
83.01386	7.8
85.02938	10.1
85.50267	0.7
87.00861	2.5
89.02437	60.5
95.01384	3.0
96.96004	7.2
97.02931	0.9
98.20647	2.6
99.00897	2.3
101.02435	37.3
113.02440	26.8
113.03236	1.5
119.03490	22.4
125.02400	2.1
127.43660	0.8
131.03474	4.7
138.07257	0.7
143.03506	7.2
149.04570	6.9
161.04544	14.7
173.04573	0.9
179.05576	13.1
191.05624	2.2
203.05624	1.6
205.12381	0.8
221.06731	1.5
229.77011	0.9
354.43677	0.8
559.23859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26251	0.6
56.81511	0.6
59.01382	3.6
62.15152	0.6
67.25277	0.7
71.01377	1.6
71.10680	0.6
80.51633	0.8
81.54738	0.8
84.93675	0.7
85.53512	0.8
87.17165	0.6
89.02434	1.6
93.03454	2.3
96.96021	5.7
98.95570	1.1
101.02435	1.5
111.04517	1.7
118.83261	0.8
121.02945	100.0
122.03284	2.7
127.58573	0.8
129.01987	0.9
153.38382	0.7
154.06160	0.9
155.03482	1.5
173.04536	2.1
191.05606	2.1
292.95349	0.9
293.12259	1.6
295.08203	19.8
296.08615	1.7
323.13470	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	618.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
57.03431	3.3
58.00581	1.4
59.01375	96.7
61.98822	47.0
65.41518	1.5
69.39822	5.2
69.40253	6.5
71.01378	32.0
71.05032	2.1
72.99273	1.7
73.02941	19.9
74.02461	1.6
75.43882	1.4
77.70892	1.4
79.95765	1.4
83.01384	7.5
83.50811	1.4
85.02941	16.6
86.03231	1.7
87.00871	3.1
87.04502	5.7
89.02440	12.3
90.51160	1.3
93.03437	3.9
95.01385	3.8
96.96001	21.2
97.06571	1.2
98.19824	2.3
99.00884	5.2
99.04498	1.4
101.02441	32.4
109.02925	1.7
111.00873	2.4
113.02435	14.8
119.03490	6.3
125.02435	2.7
127.04018	2.1
131.03423	2.3
135.04536	2.6
143.03511	3.5
143.55389	1.3
149.04546	2.6
155.03447	1.5
161.04558	5.8
167.07109	1.7
168.07912	3.6
171.10249	2.1
173.04509	6.5
191.05550	12.0
201.09087	1.6
203.12895	1.5
214.15358	1.2
221.06689	1.7
234.16011	1.3
240.19739	1.3
243.34778	1.4
271.17249	3.0
370.29651	7.2
414.10309	3.0
429.24744	6.0
433.22412	2.9
451.23273	4.1
493.24390	26.6
494.24554	2.5
511.25482	18.0
512.26318	2.0
514.30463	4.0
532.30603	2.2
533.25800	3.1
575.28864	1.5
607.27917	1.5
618.34894	100.0
619.36133	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	618.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
57.03431	3.3
58.00581	1.4
59.01375	96.7
61.98822	47.0
65.41518	1.5
69.39822	5.2
69.40253	6.5
71.01378	32.0
71.05032	2.1
72.99273	1.7
73.02941	19.9
74.02461	1.6
75.43882	1.4
77.70892	1.4
79.95765	1.4
83.01384	7.5
83.50811	1.4
85.02941	16.6
86.03231	1.7
87.00871	3.1
87.04502	5.7
89.02440	12.3
90.51160	1.3
93.03437	3.9
95.01385	3.8
96.96001	21.2
97.06571	1.2
98.19824	2.3
99.00884	5.2
99.04498	1.4
101.02441	32.4
109.02925	1.7
111.00873	2.4
113.02435	14.8
119.03490	6.3
125.02435	2.7
127.04018	2.1
131.03423	2.3
135.04536	2.6
143.03511	3.5
143.55389	1.3
149.04546	2.6
155.03447	1.5
161.04558	5.8
167.07109	1.7
168.07912	3.6
171.10249	2.1
173.04509	6.5
191.05550	12.0
201.09087	1.6
203.12895	1.5
214.15358	1.2
221.06689	1.7
234.16011	1.3
240.19739	1.3
243.34778	1.4
271.17249	3.0
370.29651	7.2
414.10309	3.0
429.24744	6.0
433.22412	2.9
451.23273	4.1
493.24390	26.6
494.24554	2.5
511.25482	18.0
512.26318	2.0
514.30463	4.0
532.30603	2.2
533.25800	3.1
575.28864	1.5
607.27917	1.5
618.34894	100.0
619.36133	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	616.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92829	0.1
64.89399	0.1
71.62856	0.1
78.95897	1.3
79.95732	2.9
96.96004	100.0
97.95938	0.2
100.20498	0.1
100.27061	0.1
102.13499	0.1
117.11854	0.1
126.29411	0.1
152.99603	0.2
154.31787	0.1
178.20061	0.1
191.15129	0.1
224.20114	0.1
402.44647	0.1
468.89969	0.1
580.94427	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	617.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
59.41787	0.1
66.67563	0.1
71.01381	0.3
71.62231	0.1
71.62601	0.1
78.67191	0.1
78.95898	3.5
79.95256	0.2
79.95734	3.0
85.02950	0.2
93.03436	0.2
96.96005	100.0
96.96890	5.2
97.95944	0.3
98.95599	0.5
114.53648	0.1
133.70471	0.1
171.38698	0.1
173.04510	0.2
178.99992	0.1
191.05672	0.7
206.08171	0.1
259.91653	0.1
322.51395	0.1
349.41794	0.1
446.08444	0.4
617.20593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02143	11.2
54.28733	12.0
54.41381	11.7
59.01371	36.9
59.58360	12.3
61.98817	46.0
62.94741	15.1
69.72897	82.0
70.38801	12.2
71.01382	43.7
72.99284	16.0
73.02938	20.4
78.95916	12.9
89.04030	12.6
96.96048	34.6
101.02393	17.3
110.17204	14.4
115.07618	43.3
117.02813	13.0
139.07614	15.6
160.82451	12.6
171.10303	77.6
173.04611	19.4
174.94514	13.9
191.05579	16.0
199.09669	43.8
201.11183	16.5
207.10271	100.0
209.11780	79.0
225.11395	66.6
227.12834	23.5
253.09213	52.0
258.14929	13.7
296.73499	16.8
329.79916	14.1
435.18686	41.2
461.20258	43.4
615.27985	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	615.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	2.6
59.01088	4.1
59.01376	72.9
61.98825	5.0
70.74455	3.3
70.74792	4.1
71.01379	38.5
72.99300	2.9
73.02944	33.9
80.25863	2.5
83.01383	3.5
85.02924	8.3
87.00860	3.0
89.02435	37.7
89.27016	2.1
93.03461	2.8
96.95992	5.8
98.20525	2.2
99.00875	100.0
101.02434	19.2
109.06561	3.7
111.00747	2.5
113.02446	13.8
113.24599	2.0
119.03453	2.4
125.02406	5.3
131.03485	13.5
133.08267	2.0
137.02420	3.1
138.79900	2.3
143.03505	4.5
149.04550	59.0
155.03488	4.0
161.04533	7.7
168.94080	1.9
171.10286	25.2
173.04527	6.9
191.05602	50.2
203.05591	25.0
207.10281	16.2
209.11859	3.7
217.16093	2.6
225.09467	2.4
225.11180	11.6
233.06689	13.5
253.09123	3.1
335.09824	4.7
427.14291	2.4
443.19232	2.3
461.20151	3.4
480.54364	2.6
529.26331	2.6
571.27362	20.1
572.27679	3.6
615.29938	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	615.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40932	0.1
59.01363	0.2
69.28379	0.9
71.01382	0.2
78.95897	2.4
79.95730	2.8
93.03464	0.1
95.97589	0.1
96.96002	100.0
96.96880	3.8
97.95937	0.2
98.31059	0.1
101.02435	0.1
117.53030	0.1
133.05151	0.1
135.73769	0.1
150.04230	0.1
191.05573	0.7
293.88864	0.1
387.55414	0.1
393.91519	0.1
396.81967	0.1
615.20435	0.3
615.31598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39101	2.1
57.03418	2.3
59.01374	74.4
61.98814	8.3
69.03455	2.2
71.01378	40.5
71.68217	2.0
72.99300	3.1
73.02940	29.5
74.94940	2.0
83.01350	3.0
83.19599	1.8
85.02961	9.8
85.66474	1.7
87.00863	2.4
89.02427	44.1
93.03470	3.3
96.95986	10.5
97.01746	1.8
97.02911	2.6
99.00870	100.0
101.02427	16.0
109.06557	5.4
113.02422	15.0
119.03469	2.7
125.02431	6.7
131.03513	12.8
135.04570	2.3
143.03485	5.6
149.04541	55.7
152.14339	1.9
155.03482	6.1
161.04543	9.0
163.11212	2.4
171.10239	28.5
173.04501	7.3
190.83305	1.8
191.05586	59.6
191.07335	3.5
192.06020	2.4
201.05678	2.3
203.05594	25.7
207.10220	17.6
209.11713	2.3
225.11351	6.3
233.06639	13.9
253.09169	2.7
335.09744	2.8
397.22037	2.5
461.19501	2.9
529.26440	3.0
571.27185	19.7
615.29962	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	614.276
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62991	0.1
78.95890	1.5
79.95728	2.5
96.96001	100.0
97.95912	0.2
102.61459	0.1
126.38681	0.1
129.29860	0.1
129.30945	0.1
133.71304	0.1
152.99579	0.2
153.13332	0.1
182.66086	0.1
192.82939	0.1
209.11865	0.1
289.17923	0.2
307.19156	0.2
337.11496	0.1
431.84399	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	613.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.5
64.81433	0.9
65.93050	1.0
78.95905	2.5
123.08204	1.2
125.09741	2.2
141.12788	1.9
152.99561	4.7
171.10257	47.0
172.10556	1.2
191.06946	1.4
209.08044	1.0
239.77495	1.1
249.22270	1.8
277.21698	50.5
278.21997	3.8
293.13095	1.1
295.22766	100.0
296.23068	7.2
309.71170	1.1
317.20938	39.5
318.21320	2.5
361.20065	7.3
489.31201	1.3
613.44336	99.4
614.44708	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	613.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.7
59.01128	4.9
59.01382	46.4
60.47892	3.9
61.98816	13.0
65.76890	3.8
65.86996	5.4
67.01883	9.6
67.57821	4.4
68.61861	3.9
71.01365	18.8
71.63462	5.9
72.99301	8.7
73.02914	8.0
74.02443	6.3
78.86861	4.5
83.01382	4.0
85.02943	26.4
87.00864	18.4
89.02435	4.8
93.03448	66.7
96.04499	4.7
96.95987	16.9
99.00851	6.9
99.05614	4.5
101.02434	9.7
104.44115	3.7
108.04538	5.7
111.00925	5.5
111.04490	8.4
113.02406	12.1
117.43155	4.0
125.03529	5.6
135.04474	5.6
135.08139	7.3
137.02399	6.0
152.03490	5.9
155.03482	7.4
155.08229	4.2
165.06711	8.5
173.04526	100.0
183.07642	4.3
186.06772	3.9
187.07634	9.4
191.02007	7.0
191.05597	99.5
193.12148	3.9
201.09250	4.5
209.05624	5.0
209.11760	9.1
222.32018	4.8
225.05196	13.1
229.08441	4.6
237.55122	4.4
242.02061	11.4
243.15958	5.1
253.04651	51.0
253.09203	16.6
270.01785	10.9
271.05670	13.0
298.01447	4.8
306.07269	5.7
313.03391	6.9
341.23260	56.8
368.63446	4.6
375.94604	4.4
428.11188	6.9
477.30624	6.9
517.97491	4.4
545.19678	8.0
563.21320	11.2
575.17590	25.6
577.22766	16.3
577.32404	13.6
578.23315	4.6
595.23535	21.1
596.24414	5.5
613.31140	45.3
614.30823	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	613.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93517	5.3
54.65294	5.3
59.01368	26.4
61.98549	5.7
61.98819	33.0
69.51134	7.6
69.51534	38.0
71.01381	53.0
73.02945	6.3
73.87356	5.0
76.18033	5.1
78.95914	28.2
78.96310	5.1
79.95724	8.0
80.96497	11.6
82.95419	37.9
85.02951	5.7
88.00412	5.4
89.02428	19.0
96.96009	53.4
96.96967	11.7
98.20613	13.3
101.02410	10.7
109.06583	20.7
113.02409	7.4
113.06074	13.6
126.43049	5.7
128.03549	7.2
152.99541	18.5
161.04541	6.6
163.11307	13.1
171.10240	43.7
173.04539	16.0
179.22450	5.6
191.05550	8.4
197.11781	11.9
199.09737	72.7
201.11320	14.4
207.10240	100.0
208.10619	6.5
209.10100	6.4
209.11865	56.5
225.11298	57.7
227.12875	23.5
241.01265	8.6
253.09218	79.5
279.15942	11.5
296.23120	8.8
299.04453	34.4
368.21683	5.8
379.04782	6.2
435.18741	58.3
437.14151	7.1
443.16751	7.1
461.20349	46.2
462.20541	17.4
613.27875	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	11.8
61.98828	100.0
71.01363	9.6
71.32999	7.1
73.02945	5.0
77.64838	3.4
78.95895	6.6
87.00884	3.7
93.03453	8.7
96.96005	33.4
109.06574	4.6
171.10234	11.5
173.04507	11.6
191.05559	7.7
197.11809	53.5
199.09743	11.3
207.10208	12.4
209.11769	14.7
225.11253	8.6
253.09232	18.7
256.46375	4.1
284.35565	3.7
398.09549	4.2
400.27734	4.5
435.18304	6.6
461.20200	8.1
613.25732	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	612.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71057	1.1
52.80093	1.1
59.01363	4.7
61.67334	1.2
61.98825	100.0
71.01369	4.8
71.63670	1.9
73.02940	1.6
78.95905	1.3
78.98578	3.5
79.95731	5.5
80.96512	29.1
85.02959	2.3
87.00839	1.7
94.98071	5.6
96.95963	3.5
101.02399	2.0
106.98082	1.6
109.02910	1.5
122.97581	2.8
125.02381	1.5
134.97559	1.5
145.06561	1.5
146.03751	6.2
148.99117	1.8
152.98560	3.2
152.99640	2.3
153.98666	1.4
158.03705	1.6
159.04517	6.1
164.98605	5.2
172.05284	4.6
173.04495	7.4
173.06023	13.0
175.03960	1.5
175.07558	5.4
176.04752	6.9
184.05208	1.6
185.06035	4.0
186.06779	2.9
187.04024	6.9
187.07651	18.5
188.04848	2.5
188.08043	1.6
189.09160	2.8
191.05559	3.7
196.05273	1.5
197.05954	2.3
199.07590	3.5
200.04721	4.5
200.08313	1.6
201.05499	5.2
201.09192	8.9
202.06334	7.2
203.07132	2.1
204.07959	2.4
205.08711	9.9
212.04742	1.4
213.05490	2.6
213.09146	3.1
214.06339	6.4
215.07088	29.2
216.07869	11.0
217.08678	36.5
218.09016	1.6
223.07501	1.5
225.00688	7.5
225.09116	2.2
226.01051	2.1
226.06288	9.7
229.08672	20.3
231.10211	11.9
241.08617	7.5
242.09393	1.8
243.10222	14.7
255.10211	27.5
256.10538	2.7
285.11386	4.5
293.20657	1.3
299.04416	1.4
344.10126	1.4
356.22931	1.5
364.13153	2.1
373.14584	2.4
417.17001	6.0
443.18475	11.0
444.19006	1.6
461.19641	66.4
462.19910	8.3
505.18500	6.6
549.17749	1.9
611.27277	17.8
612.18066	2.2
612.27576	49.3
613.27429	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	612.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91791	0.9
55.34065	1.0
59.01394	1.7
61.98827	100.0
71.01379	1.7
78.95908	1.0
79.93208	1.0
85.02934	1.0
93.03465	2.6
93.60683	0.9
101.02480	1.1
109.02950	1.3
144.59685	0.9
146.03694	2.0
159.04555	3.2
164.47937	0.9
171.10289	1.2
172.05301	4.1
173.04504	4.5
173.06070	8.6
175.03972	1.6
175.07643	4.1
176.04779	4.1
185.06078	3.7
186.06839	1.8
187.03966	4.1
187.07607	9.9
188.04749	1.5
191.05566	2.7
197.06012	2.4
199.07645	4.6
199.09445	1.1
200.04701	3.1
201.05559	4.2
201.09221	4.4
202.06323	3.9
203.07135	1.9
204.07918	1.5
205.08643	7.5
207.10222	1.0
209.11823	1.4
211.07610	1.5
213.09198	1.9
214.06310	4.2
215.07086	14.6
216.07881	5.9
217.08655	23.8
218.09053	1.5
225.09229	2.2
225.11269	1.3
226.06306	6.7
228.07912	1.7
229.08688	9.6
231.10139	6.4
241.08659	4.1
242.09460	1.5
243.10281	8.0
244.10767	1.8
255.10251	19.9
285.11337	3.5
363.12613	1.2
373.14148	1.5
388.12662	1.3
417.16934	3.6
435.18503	1.7
438.28445	1.2
443.18399	3.9
461.19638	34.5
462.19928	4.2
549.17523	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
61.98825	4.9
63.96222	0.6
69.03450	0.5
71.01379	6.8
71.22384	0.7
73.02933	1.5
78.95909	1.0
78.98590	4.6
79.95731	8.1
80.96510	52.8
81.03431	0.5
85.02944	2.7
87.00874	2.4
89.02439	0.7
93.03465	0.6
94.98077	12.4
96.35372	0.4
96.96015	1.5
97.02943	1.4
98.98050	0.3
99.00896	0.4
101.02459	1.8
106.98108	2.4
113.02441	0.6
120.99573	0.3
122.97559	3.6
125.02434	2.6
127.04001	0.6
134.38051	0.4
134.97571	3.9
136.99132	1.3
137.00102	0.5
148.99147	5.6
152.98605	5.6
152.99684	0.8
159.04536	0.4
164.98611	9.4
167.00143	0.5
173.04576	1.4
182.99716	2.4
191.05605	0.6
203.07109	0.5
206.99693	3.2
215.07082	0.7
217.08730	0.7
225.00719	18.3
226.00978	0.4
243.01593	1.9
281.34824	0.4
293.21243	0.6
299.04367	3.4
311.22244	0.8
314.09830	0.4
461.19647	1.5
508.98276	0.4
611.27332	100.0
612.27649	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	611.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98825	6.4
63.96230	1.2
64.19682	0.4
66.61318	0.4
67.01841	0.4
69.03455	0.6
70.20537	0.9
70.20918	0.8
71.01380	7.4
73.02939	1.4
78.95914	1.1
78.98588	4.9
79.38239	0.5
79.95724	7.6
80.96510	54.2
81.03469	0.6
85.02953	2.4
87.00868	2.3
89.02438	0.4
93.03444	2.0
94.98078	13.3
96.95992	1.3
97.02937	1.9
98.20531	0.5
99.00878	0.9
101.02445	2.3
106.98074	2.4
113.02435	1.3
122.97590	5.3
125.02436	3.0
127.03996	1.0
134.97588	3.3
135.04510	2.4
136.99124	1.0
137.02415	0.8
148.99132	5.4
151.00378	0.5
152.98645	5.6
161.02492	0.8
164.98621	9.3
167.00072	0.7
173.04495	2.9
178.02728	0.5
178.99974	1.1
179.03452	1.4
182.99657	2.1
190.02592	0.5
191.05638	2.4
206.99664	2.5
207.01370	0.5
211.13310	0.8
215.07127	0.7
225.00734	16.4
243.01678	1.7
299.04391	2.3
311.22159	0.6
352.07913	0.9
449.14462	0.8
461.19849	1.1
537.30273	1.3
611.27344	100.0
612.27747	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	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51103	0.5
59.01370	1.2
61.98833	0.4
67.58279	0.5
71.62813	0.6
78.95898	6.3
79.49956	0.5
79.95724	3.0
87.12777	0.5
93.03491	0.5
96.37206	0.5
96.96003	100.0
96.96895	7.3
152.99594	1.0
165.39127	0.5
183.17929	0.5
277.21790	0.8
351.06259	0.5
369.06281	0.5
403.61218	0.5
553.27155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55509	0.3
74.03391	0.4
78.95896	6.4
79.95741	3.8
96.96006	100.0
96.96906	8.8
99.59460	0.4
114.58186	0.4
117.33150	0.5
166.73036	0.4
184.56268	0.4
208.93417	0.4
212.88452	0.5
245.95337	0.4
252.65318	0.4
277.21854	0.7
351.06262	0.8
400.55411	0.5
414.28308	0.5
525.47986	0.4
541.88220	0.5
557.07538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20755	2.8
53.30137	3.4
59.01377	3.5
61.98826	61.4
64.54458	3.2
78.95906	15.0
79.95740	4.3
80.00529	3.1
89.58607	2.9
96.96001	100.0
96.96955	6.5
99.04696	3.5
126.03615	2.9
133.02945	3.9
152.99557	6.4
154.89899	3.2
191.05568	4.4
523.85590	3.5
553.26483	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	610.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94126	0.4
57.03423	0.8
59.01377	21.2
61.98824	4.4
71.01364	1.5
73.02953	0.7
76.99655	0.3
78.95898	12.0
79.95731	1.0
80.96511	4.4
81.03478	0.5
83.05037	0.6
85.02896	0.6
87.00862	0.4
93.03458	2.0
94.98087	0.9
96.96021	1.1
96.96934	0.5
99.08176	1.7
101.02460	0.7
111.08131	0.6
113.09740	2.8
129.09213	4.4
133.02928	0.6
134.03685	0.8
135.04514	1.4
137.02452	0.5
139.11331	0.4
141.09229	0.4
151.11299	0.8
152.98517	0.6
152.99593	4.7
153.12848	0.7
155.10797	0.4
161.02469	0.6
164.98605	0.5
165.12891	0.5
168.04303	2.4
169.12323	2.6
171.10263	0.6
173.04517	3.3
173.05872	0.6
178.02707	0.6
178.99857	0.8
179.03448	0.7
181.12318	4.6
183.13887	1.7
191.05615	2.3
192.04208	0.4
192.05928	0.5
193.12369	1.1
197.11815	11.3
199.13364	5.5
200.13797	0.4
211.13370	15.7
212.13710	0.6
224.06895	1.5
225.00745	1.2
229.69319	0.4
242.07980	4.7
249.22316	0.5
265.21820	0.6
275.09247	0.7
275.20123	1.7
293.21194	11.2
294.21503	0.8
311.22256	57.5
312.22690	3.0
322.49506	0.4
324.61429	0.4
325.23718	1.2
433.70151	0.4
449.14514	1.2
465.22592	3.5
478.02231	0.4
536.29901	100.0
537.30182	11.6
550.32007	1.2
551.26154	0.9
610.25983	9.3
611.26453	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
59.01375	20.2
60.01691	0.4
60.64755	0.5
61.98822	5.5
69.03450	0.7
70.52782	0.7
70.53130	1.5
71.01361	1.2
78.95894	10.8
79.95720	0.5
80.96514	3.8
81.03434	0.6
82.96100	1.2
83.05022	0.5
85.02942	0.5
93.03442	1.4
96.70221	0.5
96.95997	0.9
97.02953	0.8
99.08144	2.0
99.10043	0.5
111.08121	0.5
113.09715	2.4
114.63703	0.5
121.10252	0.9
121.35256	0.5
123.08174	0.6
123.30530	0.5
125.09693	0.7
127.11260	0.6
129.09193	3.8
134.03740	0.8
135.04507	1.2
139.11278	1.8
146.18488	0.6
151.11266	0.8
152.99559	4.9
153.12848	0.8
165.12769	0.6
168.04332	2.5
169.12270	1.6
171.00580	0.5
171.10258	4.5
173.04475	2.2
178.99838	1.0
179.03477	1.1
181.12315	3.7
183.13866	2.0
191.05533	2.5
193.12296	3.0
197.11787	5.8
199.13348	3.4
209.11772	0.6
211.13367	13.6
224.06949	1.0
225.00694	0.7
242.07967	4.3
249.22191	0.8
275.20129	1.7
293.21194	16.1
294.21503	1.1
311.22235	61.5
312.22617	3.9
316.02975	0.5
325.23758	1.2
343.17822	0.5
357.28323	0.6
449.14581	1.6
465.22488	2.8
536.29871	100.0
537.22595	0.8
537.30237	10.9
550.31482	1.1
610.25073	4.5
611.27502	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	609.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67080	1.3
61.98810	1.8
65.73389	1.1
69.78504	7.4
98.20657	2.3
106.49905	1.4
126.65047	1.4
130.52516	1.4
157.51025	1.4
167.23711	1.3
177.16083	1.3
188.82013	1.3
279.23254	100.0
280.23502	7.4
514.48236	1.4
536.72729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04705	0.6
57.03437	2.6
59.01091	1.0
59.01379	18.3
61.98829	6.0
65.52779	0.6
69.03439	1.3
71.01355	1.1
71.05019	0.9
71.33355	1.4
78.95897	25.7
79.32684	0.7
79.94982	0.8
79.95735	19.6
80.96505	5.4
85.02943	0.9
86.50694	0.8
93.03414	1.0
94.98093	1.0
95.96178	1.0
96.96001	1.0
96.96952	3.2
97.06598	0.9
100.75045	0.7
113.09723	14.0
122.98542	1.7
125.00112	0.8
127.07622	0.8
130.58089	0.7
136.99113	0.7
139.11269	1.1
149.09724	0.8
150.97963	0.9
152.99594	14.5
167.10773	3.1
168.04314	5.1
171.00572	1.2
177.12836	1.8
179.10767	2.5
179.14386	2.2
181.12341	0.8
191.05626	1.0
195.13875	11.8
205.12242	3.3
223.13347	24.0
224.06940	2.9
224.13747	1.2
225.00781	1.7
226.01086	1.2
242.07962	8.9
249.22141	2.6
272.02728	0.7
275.20132	1.0
277.21634	1.1
290.11835	0.8
293.21207	100.0
294.21536	6.9
295.22784	4.8
301.03348	0.7
307.22739	8.4
375.15527	1.3
381.05383	0.7
418.19604	0.8
420.21539	3.0
447.21622	1.2
448.20953	11.2
449.22141	0.9
463.65692	0.6
473.22876	0.8
484.15714	1.1
518.28528	5.3
524.18652	1.3
536.29840	7.9
610.26013	7.9
611.27496	2.8
613.72491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
69.83733	3.6
71.01369	1.3
83.05032	1.1
89.52360	0.6
93.03421	0.8
95.04997	3.0
98.19958	1.6
109.06580	1.1
116.99377	0.8
121.10228	22.6
125.09743	1.3
127.11226	1.3
136.32761	0.7
145.43607	0.7
149.09642	0.7
171.10260	55.8
172.10493	1.3
175.45152	0.8
179.10660	0.8
185.11772	2.6
191.06960	1.0
194.03090	0.8
207.09991	2.9
231.21115	3.8
238.95212	0.8
257.19077	1.0
275.20139	69.5
276.20364	4.3
278.11432	8.6
293.21213	74.3
294.21506	6.2
297.18314	2.9
300.02609	1.4
315.19366	42.1
316.19711	1.3
329.17413	2.2
359.18454	7.6
512.45538	0.9
609.41248	100.0
610.27881	1.2
610.41595	13.0
628.06360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.3
59.01375	52.7
61.98787	1.7
65.78188	1.1
69.54723	8.3
70.06280	1.2
71.01374	11.9
73.02923	3.8
83.01367	3.0
85.02940	8.4
87.04501	1.3
99.00893	1.4
101.02436	6.1
113.02419	6.5
125.02446	2.8
133.70117	1.2
161.04572	1.5
170.98535	1.0
171.13913	2.9
191.05569	2.2
201.14949	3.3
295.22644	1.3
359.27716	2.8
361.29672	9.1
505.33795	100.0
506.34140	10.4
523.34955	19.4
524.35120	2.7
565.35803	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	609.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19060	0.3
56.26105	0.4
59.01368	1.5
59.48558	0.3
61.98830	3.6
63.96228	1.0
69.03455	0.7
70.63708	0.7
70.64081	0.6
71.01376	4.8
73.02927	1.7
74.97923	0.3
78.98592	5.0
79.95729	8.5
80.96510	49.7
81.03452	0.6
83.01399	0.3
85.02946	1.9
87.00897	2.0
94.77563	0.3
94.98083	11.5
96.95992	1.5
97.02937	1.4
101.02441	2.5
106.98065	2.4
111.08154	0.5
112.62585	0.4
113.02456	0.5
122.97559	5.1
125.02415	2.5
125.67544	0.4
127.03967	0.7
134.97580	3.5
136.99152	1.0
148.99121	4.2
152.98624	5.7
164.98615	9.4
167.00186	0.4
173.04495	0.6
181.30841	0.3
182.99620	1.6
197.11826	1.0
206.99634	3.1
211.13370	0.3
217.82338	0.3
225.00702	16.9
226.00993	0.3
243.01794	1.5
299.04391	2.3
565.16913	0.3
609.25781	100.0
610.26105	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	609.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.98823	2.5
63.96225	0.5
66.60671	0.4
69.03477	0.6
71.01380	6.4
73.02937	2.1
78.95914	1.3
78.98587	4.5
79.95728	9.3
80.96512	58.3
81.03432	0.7
83.01362	0.6
85.02950	2.2
87.00869	2.4
89.02441	0.4
92.25311	0.4
93.03448	1.2
94.98085	12.6
96.96019	1.1
97.02947	1.4
98.20642	0.7
99.00873	0.7
101.02433	2.5
106.98090	3.2
111.08108	0.5
113.02424	0.5
113.81710	0.5
122.97581	4.7
125.02453	2.6
127.04018	0.8
130.04643	0.4
134.97581	3.7
136.99129	1.2
143.03529	0.4
148.99127	5.1
152.98611	6.8
152.99701	0.6
159.85829	0.4
164.98613	9.3
171.10231	0.7
173.04486	1.4
179.00089	0.6
182.99638	2.2
191.05663	1.9
197.11842	2.8
198.12175	1.0
206.99629	3.5
211.13402	0.4
225.00722	17.7
225.02931	0.9
226.00935	0.4
229.63519	0.5
238.53937	0.4
243.01793	1.6
291.19492	0.8
299.04395	2.8
309.20682	1.3
310.21005	1.4
366.63770	0.5
534.28156	1.5
535.28497	5.6
536.29688	1.2
609.25787	100.0
610.16028	0.7
610.26117	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	609.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23069	0.3
56.61533	0.3
57.03440	0.5
59.01376	2.0
61.98826	1.8
63.96231	0.9
69.03441	0.6
70.37453	1.2
71.01372	6.1
73.02930	1.7
78.94577	0.3
78.98586	5.4
79.95731	7.9
80.96509	54.0
81.03442	0.9
85.02951	2.6
87.00873	2.5
93.03455	0.8
94.98080	12.4
95.01406	0.4
96.96014	0.7
97.02939	1.4
99.00876	0.5
101.02442	2.3
106.98083	2.3
113.02438	0.5
118.53967	0.3
119.91479	0.4
122.97571	4.8
125.02457	2.7
127.04001	1.0
134.97554	4.2
136.99097	1.4
138.99078	0.3
146.97575	0.5
148.99133	4.9
151.00349	0.4
152.98608	6.3
164.98592	10.9
164.99998	0.5
173.04556	0.5
178.99930	0.5
182.99707	2.3
191.05641	0.7
197.11797	1.7
206.99641	2.8
225.00705	17.3
243.01732	1.2
285.15634	0.4
299.04407	2.5
385.39227	0.4
408.88849	0.4
571.78436	0.5
609.25769	100.0
610.26111	11.5
610.33282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
59.01360	1.0
61.98810	0.9
62.50095	0.4
63.96247	0.7
65.25659	0.4
66.91527	0.4
67.35404	0.5
70.63367	1.4
71.01373	6.4
73.02946	1.7
75.00846	0.8
78.95897	5.6
78.98592	6.9
79.95728	22.9
80.96508	61.6
81.03438	1.0
84.31695	0.4
85.02933	2.7
87.00851	2.8
94.98083	13.8
96.95985	1.3
96.96942	1.2
97.02940	1.6
97.45103	0.5
101.02425	3.0
106.98074	2.2
113.02432	0.8
113.09702	0.9
122.97567	5.1
125.02405	2.6
127.03994	1.3
134.97572	3.7
136.99135	2.0
139.11226	0.6
148.99133	6.6
152.98592	5.7
152.99583	5.1
164.97250	0.9
164.98604	12.3
179.00191	0.6
182.99646	2.3
206.99651	3.7
209.11594	0.5
211.13359	0.8
223.00252	0.5
223.13496	0.5
225.00716	23.1
226.01022	0.6
241.01230	2.1
243.01804	2.7
271.02374	0.8
291.19623	0.5
293.21158	3.6
293.62152	0.4
299.04349	4.1
315.04672	0.9
331.74115	0.5
384.46036	0.4
409.19757	0.4
483.15787	0.5
523.18488	32.4
524.18835	2.9
591.24780	2.2
609.25830	100.0
610.26196	10.5
630.09857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01136	0.4
59.01378	6.1
61.98819	1.2
63.96223	1.0
67.01880	0.5
69.03464	0.9
71.00640	0.7
71.01372	7.7
72.99284	0.5
73.02943	2.0
78.95920	0.5
78.98586	4.1
79.95736	21.2
80.96512	51.0
81.03429	0.7
83.01374	0.6
85.02934	3.2
85.09389	0.4
87.00871	2.3
93.03416	2.7
94.98083	12.3
95.01366	0.5
96.96015	2.4
97.02921	1.7
99.00897	0.7
99.04492	0.8
101.02451	3.0
106.98076	2.1
113.02418	1.8
122.97584	5.2
125.02465	2.5
127.03994	0.9
134.97565	3.9
136.99120	1.9
137.02467	0.5
148.99132	5.5
150.93871	0.4
152.98622	5.4
161.04565	0.7
164.98619	10.0
167.00139	0.7
173.04536	4.3
182.99678	2.3
191.05598	5.9
197.11810	0.7
206.99669	2.9
209.11690	0.8
211.13376	2.6
214.06490	0.4
225.00716	19.2
241.00122	0.6
243.01752	1.7
271.02335	0.8
291.19733	1.0
299.04456	2.7
300.02716	1.7
310.20978	0.4
399.09460	1.3
413.11148	0.5
435.20148	0.6
505.34018	0.8
535.28833	1.2
539.17841	0.7
591.24335	1.2
609.25781	100.0
610.26117	10.9
619.26910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
50.59588	0.3
55.17194	0.3
59.01380	1.9
61.98793	0.4
63.02414	0.6
65.00323	0.8
69.26140	0.3
71.01366	1.2
71.62259	0.4
74.10586	0.3
83.01393	0.7
85.02956	0.5
89.02444	0.8
93.03433	0.6
93.94174	0.3
96.96005	0.6
101.02435	0.7
105.22799	0.4
107.01376	2.1
109.02956	1.4
113.02445	0.6
121.02914	1.7
122.85166	0.3
125.02468	0.7
133.02946	0.4
135.00856	0.5
137.02513	0.5
141.82970	0.4
147.00934	0.4
149.02455	0.6
151.00366	10.4
155.05080	0.3
159.04480	0.6
163.00381	0.9
163.04021	0.4
164.01175	0.5
171.04482	1.3
175.00423	1.6
175.04007	0.5
177.78525	0.4
178.99872	2.4
179.01195	0.4
179.05666	0.5
183.04492	1.3
185.06087	0.5
187.03998	0.5
189.05466	0.5
190.99832	0.4
191.05576	1.2
193.01337	0.5
198.03389	0.5
199.04039	2.2
201.01988	0.5
201.05597	0.6
203.03513	0.6
211.04025	1.1
213.01837	0.4
214.02571	0.3
215.03477	1.3
226.02692	1.0
227.03433	4.0
229.05121	0.6
231.03133	0.4
243.02885	4.0
254.02165	0.8
255.02943	8.1
269.00787	0.4
271.02441	47.3
272.02811	2.7
283.02444	11.5
284.03268	2.0
285.04007	9.6
286.04367	0.7
299.01935	88.3
300.02582	15.3
301.03500	66.3
302.03830	3.3
313.03467	1.0
343.04556	1.4
446.08032	2.0
447.09277	18.8
448.09589	1.6
454.58374	1.2
462.08026	22.3
463.08765	22.8
464.08948	1.5
489.10330	0.7
549.25409	1.4
608.64490	0.9
609.14532	100.0
610.14850	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45490	0.4
54.53540	0.5
59.01379	4.2
62.73222	0.4
65.00343	1.2
70.74313	0.5
70.74637	1.2
71.01033	0.5
71.01384	2.9
74.54996	0.5
76.58429	0.5
83.01404	0.9
85.02938	0.9
89.02431	2.5
91.85236	0.5
93.03474	2.0
96.95997	4.7
98.20575	0.5
101.02448	1.0
102.05604	1.4
107.01390	1.3
113.02481	1.1
117.03442	0.9
119.03503	0.6
121.02958	0.5
124.43333	0.4
125.02425	0.8
128.03532	2.0
136.01563	0.5
138.44975	0.5
145.06175	2.0
146.04596	4.8
151.00348	3.6
159.04517	0.8
161.04549	1.3
165.01811	0.5
171.04509	0.8
173.04585	1.2
173.06000	0.6
175.03911	0.7
178.99878	0.6
179.05568	1.0
183.04486	3.0
185.05994	0.7
187.03987	1.1
191.05602	2.5
209.00880	0.5
211.03992	2.8
213.05630	0.9
227.03467	12.7
228.03856	0.7
239.03453	1.1
243.02715	0.5
255.02956	57.5
256.03500	4.0
257.04492	1.2
269.04636	0.6
271.02405	1.1
283.02454	100.0
284.03146	29.1
285.04007	53.5
286.04279	2.9
297.04044	2.5
299.01874	1.4
299.05130	0.6
301.03549	0.7
309.04272	0.6
326.04187	0.8
327.05005	2.8
446.02200	0.6
446.08514	17.0
447.09280	97.9
448.09543	7.5
454.58380	0.9
461.78885	0.5
489.10287	9.7
490.10098	0.6
513.10266	0.8
531.11340	1.2
549.25226	2.2
609.14532	52.6
610.14728	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1451
Annotation	Rutine
Peak:m/z	Relative Intensity
58.83321	0.4
63.02401	0.6
63.35456	0.5
65.00300	0.7
69.62637	3.0
69.62946	0.7
83.01357	0.5
85.65064	0.4
86.47027	0.5
91.82911	0.4
93.03426	0.5
98.20673	0.9
107.01392	1.5
108.02162	1.2
121.02945	1.0
125.02417	0.5
135.00826	0.8
146.15530	0.5
148.01672	1.0
151.00357	8.1
163.00359	1.0
164.01137	0.7
178.99890	3.5
226.02615	1.1
227.03455	2.1
243.02971	6.1
245.04335	0.6
254.02109	1.3
255.02939	18.3
271.02435	40.3
272.02930	2.9
283.02408	0.5
299.02029	0.6
300.02713	100.0
301.03403	24.8
302.03903	1.3
343.04407	0.7
356.84909	0.5
447.08517	0.6
585.01727	0.5
609.14514	67.6
610.14783	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	608.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.7
59.01374	30.2
61.98823	34.0
63.99244	2.5
65.35804	0.6
67.01861	0.7
69.03442	1.2
69.35122	1.4
69.35528	3.7
71.01373	2.2
71.04987	0.8
78.95899	19.2
78.96359	1.2
79.95721	0.9
80.02663	1.0
80.96519	3.2
81.03448	1.8
83.01383	6.1
83.05013	2.3
93.03432	1.8
94.98066	0.9
95.05020	1.6
96.96000	0.7
96.96950	1.6
97.06570	2.7
109.06579	0.7
111.08121	1.2
122.98499	1.7
123.04510	1.5
123.08145	2.6
125.06036	1.4
125.09719	6.8
127.11253	1.1
135.08171	0.6
137.09694	1.0
139.11276	4.2
141.09175	0.7
147.11787	0.7
149.09706	1.0
151.11243	2.3
152.98520	0.6
152.99599	6.1
154.35466	0.6
163.11267	6.4
165.09167	0.8
165.12820	12.2
167.10757	3.4
168.04262	4.3
168.11586	0.7
171.10182	0.9
173.04530	1.4
179.10741	0.8
179.14398	1.5
181.12312	5.1
183.13866	1.0
191.10745	5.0
193.12286	1.3
193.15994	3.0
207.10196	1.0
209.11800	45.4
210.12137	2.5
211.13336	2.7
212.14044	0.7
223.13318	3.2
224.06909	2.7
225.00790	0.9
225.11298	0.7
242.07957	8.1
247.20630	11.0
263.20166	1.3
265.21692	2.7
273.18491	2.8
281.21185	1.2
291.19611	41.1
292.19864	3.7
300.02563	0.7
305.21167	2.0
309.20663	48.5
310.21057	4.0
323.22214	10.1
461.19708	0.8
463.20837	1.0
489.22873	1.1
534.28296	100.0
535.28619	11.8
548.29803	10.5
549.30536	0.9
608.24695	7.1
609.25757	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	608.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
57.03443	1.5
59.01374	27.3
61.98826	47.0
63.99249	1.2
69.29223	5.0
69.29659	3.0
71.01359	2.6
71.05015	0.9
73.02944	1.1
73.29584	0.8
75.00858	1.9
78.95895	25.0
79.95728	2.9
80.02658	2.0
80.96513	9.6
81.03448	2.9
83.01385	4.1
83.04997	2.7
85.02960	1.5
93.03443	2.4
94.98049	1.4
95.05033	1.7
96.96006	2.1
96.96944	1.8
97.02925	0.8
97.06580	2.7
98.03701	1.5
101.02425	0.8
103.23317	0.8
108.97015	0.8
109.02943	1.1
111.04457	1.0
113.02468	1.0
122.98504	2.0
123.04530	1.7
123.08118	1.7
124.54950	0.8
125.06078	1.3
125.09708	7.6
127.11268	1.3
130.42392	0.8
137.09642	1.4
139.11302	5.3
141.09155	1.3
149.09769	1.0
151.00360	1.3
151.11206	1.1
152.99582	15.0
163.11296	4.9
165.12836	12.8
166.09981	0.9
167.10742	3.8
168.04280	3.8
168.11555	0.8
171.10289	1.4
173.04523	3.0
178.30878	0.8
178.99760	0.9
181.12268	2.4
183.13840	2.1
187.03946	1.0
187.07582	2.4
191.05573	4.4
191.10707	3.3
193.15967	3.2
207.10260	1.0
209.11809	34.2
210.12183	1.9
211.13396	1.9
215.07095	2.9
217.08655	4.8
217.16138	1.1
221.40573	0.8
223.00101	1.8
223.13327	3.0
224.06868	2.6
225.00684	2.9
225.11366	1.1
226.06360	1.3
229.08678	1.6
231.10248	1.0
235.16927	3.2
241.01157	4.5
242.07974	8.8
243.10248	1.7
247.20612	10.3
255.10117	2.4
271.02386	0.9
273.18561	3.3
275.20093	4.8
291.19626	46.3
292.20010	3.0
293.21194	2.4
300.02652	1.2
305.21109	2.0
309.20679	39.6
310.21017	2.5
315.04785	1.5
323.22208	15.5
324.22675	1.6
443.18124	1.1
446.15115	1.1
461.19891	4.2
463.20572	1.2
489.22580	2.3
534.28302	100.0
535.28802	10.9
548.29944	14.6
549.30328	1.6
563.75446	0.9
608.24567	15.6
609.15912	1.9
609.26569	27.6
609.36584	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	608.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78092	0.3
50.80999	0.2
59.01377	1.8
60.86568	0.2
60.87980	0.3
61.98824	100.0
63.96241	0.3
65.45499	0.3
67.01896	0.3
69.03417	0.3
69.80599	1.5
71.01375	2.9
72.01711	0.3
73.02936	0.8
78.95893	0.5
78.98587	1.4
79.95733	5.8
80.96510	21.8
81.95299	0.3
81.96447	0.4
82.96098	1.1
85.02952	1.0
86.03300	0.3
87.00878	0.8
89.02419	0.3
93.03450	1.0
94.98068	4.8
96.96012	0.8
96.97659	0.3
97.02945	0.6
98.20602	0.3
101.02442	1.1
105.30740	0.3
106.98081	0.7
122.97586	1.8
125.02425	0.9
127.04064	0.3
134.97571	1.4
135.97816	0.3
136.99138	0.4
148.99149	1.7
152.98613	1.9
152.99663	0.3
155.73695	0.3
161.91653	0.3
163.89648	0.2
164.98636	3.0
165.98894	0.7
173.04555	1.3
182.99680	0.3
191.05576	1.0
197.11914	0.3
206.99707	0.9
207.99892	0.3
209.11748	0.5
210.12163	0.3
211.13348	0.3
225.00754	4.8
226.01059	1.6
226.75313	0.3
239.57680	0.3
271.02396	0.5
299.04373	0.8
300.02530	0.4
402.25293	0.3
608.24567	39.8
609.14655	0.6
609.24280	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	608.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98825	100.0
69.71716	0.6
69.72133	0.3
71.01382	0.7
73.02946	0.3
78.95914	0.6
78.98614	0.3
79.51559	0.1
79.95715	0.8
80.96510	4.3
81.09875	0.2
82.96114	0.2
85.02966	0.5
87.00879	0.3
93.03427	0.4
94.98096	0.9
97.02948	0.2
101.02441	0.3
104.13746	0.2
106.61800	0.2
107.01452	0.2
109.15820	0.2
122.97584	0.4
125.02409	0.2
134.97562	0.3
148.99126	0.4
151.00314	0.2
152.98587	0.4
152.99638	0.2
164.98572	0.8
173.04515	0.6
178.99896	0.2
191.05577	0.5
204.73430	0.1
209.11815	0.2
225.00764	1.0
226.01071	0.2
299.01804	0.2
300.02588	0.3
311.21497	0.2
608.24524	7.4
609.15186	0.3
609.25195	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	608.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.5
61.98826	100.0
64.89117	0.2
67.54446	0.2
69.26772	2.5
70.20271	0.2
71.01405	0.3
72.86734	0.3
78.95917	0.9
79.95740	0.8
80.96510	1.0
85.49152	0.2
94.98114	0.3
96.95969	0.3
102.61156	0.2
133.56462	0.3
151.00319	0.4
152.99602	0.5
164.98404	0.2
178.99754	0.3
225.00833	0.3
235.47664	0.2
271.02451	0.4
299.01993	0.5
300.02744	0.9
301.03403	0.3
373.38492	0.3
523.18530	0.6
609.15308	0.5
609.26031	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	607.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.5
59.01374	75.8
59.80053	1.2
61.98821	1.9
69.03439	2.6
69.41766	5.4
69.42182	5.6
70.63394	1.3
71.01372	16.9
73.02928	4.7
79.42876	1.4
83.01359	3.6
85.02959	11.2
89.02420	3.0
95.01395	2.0
96.96016	4.2
99.00853	2.4
101.02445	10.6
113.02438	6.3
125.02395	2.6
133.85167	1.3
137.09778	2.5
141.27045	1.5
143.03494	1.6
143.79832	1.4
155.10732	3.7
173.04500	4.0
191.05511	4.0
199.04013	1.7
201.14940	6.7
209.11754	1.9
230.15253	2.8
262.10483	1.8
271.02402	5.1
299.01959	13.0
300.02554	2.6
359.27905	9.6
360.28162	1.8
380.48154	1.8
457.27655	1.5
473.30789	1.9
503.32245	100.0
504.32748	8.7
521.33331	23.9
522.33502	3.6
545.32928	1.8
547.10822	2.9
563.26416	2.5
563.34296	4.2
607.24237	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	607.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
57.03447	1.9
59.01374	60.2
61.98813	1.5
64.14709	1.1
71.01375	14.1
71.39811	2.3
73.02936	2.5
73.39040	1.2
81.05178	1.3
83.01376	5.2
85.02956	8.1
87.00865	1.9
89.02464	2.4
93.03459	1.7
95.01397	1.3
96.96006	2.2
99.00848	1.5
101.02435	6.5
104.09578	1.1
111.00873	2.8
113.02442	4.0
113.09689	1.4
115.03937	1.6
119.03502	1.3
123.08163	1.7
125.02471	2.1
127.11412	1.2
143.03506	1.6
154.05469	1.2
155.10754	1.7
157.12355	1.6
173.04573	1.8
187.13329	1.8
191.05569	2.3
201.15088	2.8
209.11649	1.5
230.15269	2.4
244.14268	1.3
299.02014	2.8
339.81458	1.7
357.26355	1.6
359.27863	11.4
424.65765	1.5
455.30527	1.5
503.32208	100.0
504.32806	9.3
521.33246	31.3
522.33582	3.4
545.33496	2.8
547.11530	2.1
563.34406	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	607.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03438	3.2
59.01376	80.5
61.98837	4.3
64.83201	0.8
69.03445	1.6
69.29629	7.9
71.01377	18.6
72.99291	1.3
73.02942	5.9
78.95904	1.5
79.95709	0.9
80.96503	2.8
83.01390	5.2
85.02940	10.1
86.00066	1.4
87.00871	2.2
89.02423	2.3
93.03461	4.2
94.98048	0.9
95.01391	2.5
96.96015	5.3
97.02960	2.1
98.20627	1.8
99.00851	3.2
101.02435	12.4
109.02969	0.9
111.00854	2.6
111.04502	1.0
112.01578	1.1
113.02460	7.2
119.03545	1.0
123.08140	4.0
125.02419	1.8
129.01987	0.8
137.02435	1.3
139.11276	1.3
141.09204	3.0
143.03458	1.3
152.99644	1.2
161.04582	1.9
169.12323	1.5
171.13869	2.7
173.04494	3.9
178.99881	1.1
187.13455	4.7
191.05582	4.3
200.14128	2.1
209.11729	1.4
255.07031	0.9
258.52820	0.9
271.02371	1.1
299.01926	2.3
311.25937	0.9
327.21637	2.2
341.26559	1.1
344.18408	1.7
359.27997	14.3
360.28336	1.6
362.19128	1.0
450.04501	2.0
473.31305	1.0
485.31241	1.1
487.08878	1.7
503.32208	100.0
504.32535	11.3
521.33221	36.8
521.41241	1.6
522.33215	4.2
545.33521	1.0
547.11865	1.3
563.27667	1.2
563.34485	9.9
607.14282	1.6
607.24316	7.5
607.37488	1.3
608.25519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2426
Annotation	Tiliasine
Peak:m/z	Relative Intensity
59.01375	1.3
61.98815	1.0
63.96239	1.0
69.03447	0.9
69.76276	1.5
71.01381	6.0
72.99297	0.3
73.02950	1.6
74.73877	0.3
76.75159	0.3
78.95886	0.6
78.98590	5.2
79.95256	0.5
79.95731	12.8
80.96511	57.8
81.03458	0.5
82.23888	0.2
83.01397	0.5
83.05020	0.3
85.02950	2.4
87.00868	2.5
93.03452	0.3
94.98079	13.6
95.01426	0.3
96.96005	0.9
97.02922	1.6
98.14496	0.3
98.20592	0.3
99.00888	0.5
101.02444	2.6
106.98075	2.7
113.02417	0.5
122.97577	5.3
125.02437	3.0
125.09768	0.3
126.38487	0.3
127.03972	0.7
127.48839	0.2
130.81613	0.3
131.04041	0.2
134.97568	4.1
136.99149	1.4
146.97595	0.4
148.99130	4.8
152.98611	6.2
152.99493	0.4
164.98621	9.4
167.00255	0.4
173.04504	0.3
182.99675	2.4
206.99631	3.2
209.11708	0.4
211.13329	0.3
225.00720	14.7
243.01845	1.9
253.09271	0.3
287.07590	0.2
291.19693	0.3
299.04398	2.6
311.22183	1.2
371.06619	0.3
399.09833	0.2
413.11456	0.3
534.28589	0.5
607.24237	100.0
608.24585	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	607.2425
Annotation	Tiliasine
Peak:m/z	Relative Intensity
56.66475	0.3
57.03437	0.5
59.01364	2.3
61.98826	18.6
63.96225	0.9
66.70644	0.4
68.69043	0.4
69.03461	0.4
69.80202	2.1
71.01375	6.9
72.99305	0.5
73.02943	1.8
78.95889	0.8
78.98595	4.5
79.95729	12.7
80.96510	55.8
81.03430	0.6
85.02956	2.3
87.00871	2.0
87.55952	0.4
89.02454	0.7
90.98604	0.5
92.05724	0.4
93.03439	1.5
94.98080	14.7
95.01358	0.5
96.57936	0.4
96.96008	1.2
97.02940	1.8
99.00854	0.5
101.02434	2.9
103.85732	0.4
106.98064	2.7
113.02412	0.6
122.97570	4.7
125.02429	3.4
127.03984	0.7
134.97574	4.2
136.99115	2.0
146.78772	0.4
146.97627	0.6
148.99146	4.8
152.98602	6.0
152.99681	0.6
161.04489	0.4
164.98611	10.5
167.00192	0.4
173.04556	1.4
181.93085	0.4
182.99658	2.7
188.98560	0.8
191.05728	0.5
206.99727	2.6
209.11789	1.7
211.13298	0.7
225.00713	16.3
226.01407	0.6
243.01707	1.4
249.74284	0.4
299.04498	2.4
311.21655	0.5
331.20123	0.4
399.09427	0.4
427.12543	0.5
607.24219	100.0
608.24548	12.2
608.34033	0.9
619.11047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2423
Annotation	Tiliasine
Peak:m/z	Relative Intensity
59.01355	2.1
61.98822	4.6
62.86242	0.5
63.96216	0.9
69.76321	3.3
70.15952	0.5
71.01380	6.9
73.02936	1.7
75.00861	2.5
78.95889	1.4
78.98576	4.9
79.95731	23.1
80.96510	60.0
81.03458	1.0
85.02945	2.7
87.00888	2.8
94.98076	14.2
96.17067	0.6
96.95964	2.0
97.02925	1.7
99.00908	0.8
101.02452	3.0
105.24140	0.6
106.98082	2.9
113.02424	0.8
122.97564	6.2
125.02415	2.5
127.04013	1.1
132.78616	0.6
134.97597	4.1
136.99127	1.7
148.99106	4.8
152.98564	6.2
152.99570	1.1
164.98604	10.5
182.99635	2.5
191.05537	1.0
206.99678	3.2
209.11761	2.4
225.00699	19.0
243.01764	1.7
287.46387	0.6
291.19421	0.8
299.04428	3.0
321.44373	0.6
371.06232	1.7
509.16904	9.4
510.16925	1.0
579.24658	1.0
589.23181	1.9
607.24237	100.0
608.24585	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	607.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23668	0.3
53.36666	0.4
57.03442	0.7
59.01374	10.4
61.98825	7.8
63.96220	1.0
69.03448	0.9
69.44936	0.3
71.01378	8.0
71.05025	0.5
71.63439	0.4
72.99309	0.5
73.02947	2.5
76.18529	0.4
78.95908	1.5
78.98589	5.2
79.95734	10.6
80.96510	56.2
81.03448	0.9
82.96083	0.5
83.01373	0.8
85.02943	3.4
87.00871	2.4
89.02427	0.5
91.55234	0.4
93.03463	1.2
94.98082	13.4
95.01377	0.6
96.95999	4.5
96.96941	0.4
97.02959	1.6
98.95575	1.1
99.00877	1.5
101.02440	4.0
106.98063	2.4
109.06581	0.5
111.04488	0.5
113.02447	1.5
122.97578	4.6
123.02642	0.3
125.02433	3.4
125.89462	0.4
127.04014	1.0
134.97594	3.5
136.99115	1.3
143.03445	0.6
146.97569	0.5
148.99118	5.1
151.00352	0.5
152.98598	5.6
152.99643	0.8
159.04688	0.4
164.98621	10.3
173.04565	2.0
178.99957	0.4
182.99664	2.1
188.98753	0.4
191.05545	1.9
193.05029	0.3
206.99663	2.6
209.11826	0.7
211.13330	0.4
225.00725	18.7
226.01105	0.6
232.96806	0.3
241.01486	0.4
243.01755	1.7
289.18057	1.0
299.04486	2.0
305.21054	0.6
359.27985	1.3
360.59961	0.4
384.38235	0.4
445.19843	0.5
450.04727	0.9
462.85977	0.4
471.26334	0.5
487.32693	1.0
503.31958	0.6
505.33972	0.4
544.15356	0.7
563.25952	0.6
563.34143	3.4
607.24219	100.0
608.24554	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	607.2421
Annotation	Tiliasine
Peak:m/z	Relative Intensity
59.01373	6.1
61.38508	0.3
61.98822	3.3
63.96223	1.2
65.00311	0.3
67.01889	0.4
69.03448	0.6
71.01376	9.0
72.99310	0.6
73.02937	2.4
76.23834	0.3
78.95894	1.2
78.98584	6.5
79.95259	0.7
79.95730	14.1
80.96510	61.9
81.03437	1.0
83.01377	0.7
83.05014	0.6
85.02943	3.6
87.00869	2.8
89.02440	1.3
93.03443	1.5
94.98083	13.4
95.01391	0.6
96.96001	4.7
97.02962	1.5
99.00858	0.6
99.04536	0.3
101.02448	4.8
106.98080	2.3
113.02414	1.4
119.08688	0.6
122.97578	6.2
125.02451	3.7
127.04022	0.7
128.17419	0.4
129.02019	0.4
129.07239	0.3
134.97581	4.6
135.08197	0.5
136.99118	1.4
137.02415	0.4
143.03455	0.4
144.82428	0.3
148.99133	5.0
149.23854	0.4
151.00430	0.5
152.98608	6.2
152.99693	0.4
153.01041	0.3
155.03476	0.5
164.98615	10.3
167.00269	0.6
171.10251	1.1
173.04536	3.7
182.99667	2.9
191.05595	2.1
206.99684	3.6
209.11877	2.0
225.00716	16.9
225.64377	0.3
227.12971	0.7
233.01013	0.4
243.01826	1.2
271.02420	1.5
287.14993	1.9
289.18112	0.4
299.01489	2.8
299.04941	1.9
300.02673	0.7
327.21439	0.6
367.47870	0.4
385.08121	0.4
397.13599	0.5
450.04550	0.4
461.20322	1.8
503.32147	1.3
521.32983	0.4
533.50000	0.3
547.11139	0.4
589.22864	0.8
607.24219	100.0
608.24506	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	606.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24227	0.2
57.03450	0.4
59.01377	3.3
61.98825	100.0
65.31705	0.2
69.03487	0.2
70.93744	0.4
70.94075	0.3
71.01365	0.8
77.94762	0.2
78.95903	1.8
78.98573	0.2
79.95734	1.2
80.96511	3.5
85.02922	0.3
85.41749	0.2
89.02471	0.3
90.84998	0.2
93.03469	0.4
94.98087	0.9
96.95984	0.3
97.06625	0.5
101.02460	0.4
111.08180	0.4
113.02464	0.3
125.02462	0.3
144.14590	0.2
151.11270	0.8
152.99600	1.3
164.98599	0.6
165.12822	0.5
173.04510	0.6
181.12386	0.9
183.42723	0.3
191.05592	0.5
191.10782	0.3
209.11855	2.6
211.13376	0.4
223.13446	0.5
225.00836	1.1
242.08052	0.4
245.19131	0.3
253.09221	0.3
265.37366	0.2
269.61182	0.3
289.18033	0.4
291.19827	0.3
307.19077	1.4
311.22412	1.0
321.20831	0.7
532.26709	4.5
533.27002	0.3
546.28314	0.5
607.24414	7.7
607.34332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37196	0.5
59.01376	6.8
65.85104	0.5
69.03440	0.6
71.01372	3.5
71.62018	0.9
73.02943	1.0
79.56150	0.5
79.90485	0.5
83.01376	1.0
85.02949	1.1
87.00875	0.6
89.02429	2.9
93.03435	1.4
95.01366	0.6
96.95995	1.1
97.02959	0.7
99.00883	0.7
101.02441	2.7
103.00362	1.1
113.02437	1.7
119.03471	1.0
121.02908	2.5
122.03722	1.4
123.00881	1.0
124.01611	0.8
125.02447	1.6
136.05316	1.2
137.02393	0.7
143.04967	0.5
146.03667	0.8
147.04486	1.8
149.02409	1.4
150.03181	4.3
158.03688	2.1
159.04514	7.0
160.05281	23.2
161.04662	1.0
161.06058	6.1
163.03989	5.1
163.11243	0.8
164.04794	4.0
173.04657	1.0
173.06030	2.6
175.07616	23.7
176.04829	0.7
176.07964	1.1
177.05580	6.1
178.06346	8.0
191.05576	1.5
191.07095	0.6
192.07909	1.2
193.08730	2.5
209.11818	14.3
210.12074	0.7
225.68800	0.5
235.08188	0.9
271.02408	0.6
314.11380	0.9
329.13901	100.0
330.14230	7.1
359.14828	4.8
360.15146	0.9
397.13504	7.2
415.14566	3.1
563.27161	1.2
607.12866	1.0
607.25452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
59.01375	30.2
61.98835	6.3
69.03442	1.7
71.01367	1.7
78.95898	19.2
79.95735	0.7
80.96509	2.1
81.03447	2.9
83.01384	4.5
83.05029	2.9
85.02917	0.9
90.72601	0.6
91.76487	0.6
93.03427	1.3
95.05008	2.6
96.96039	0.6
96.96969	1.2
97.02940	2.0
97.06590	4.1
106.04237	1.0
113.02454	0.8
122.98530	1.9
123.04533	4.0
123.08163	1.9
124.72495	0.6
125.09707	8.3
127.51283	0.6
135.08154	1.8
137.06076	0.7
137.09703	6.4
141.12872	1.3
149.06091	1.2
151.11349	1.6
152.99582	5.5
161.09697	0.8
163.11269	8.9
165.12842	2.3
167.10706	1.1
168.04257	3.8
171.10262	0.9
173.04590	0.9
175.11189	1.9
177.12845	0.8
179.10678	1.2
181.12320	2.5
185.11795	6.4
191.05603	1.4
191.10802	2.1
191.14386	6.4
207.10237	6.3
209.11812	30.9
211.13312	1.0
217.15886	0.9
223.13348	2.2
224.06859	2.1
225.00720	1.0
225.11299	3.4
227.18095	1.0
237.11221	1.3
242.07921	8.0
245.19078	12.1
251.12816	1.1
253.09393	1.4
263.20212	1.6
271.17072	2.1
279.19623	1.1
289.18076	31.5
290.18338	2.0
303.19482	0.9
307.19135	33.6
308.19376	1.5
309.20837	1.1
310.21094	1.6
321.20636	10.6
397.79199	0.8
419.15240	0.8
461.19388	1.5
487.21335	1.7
519.55524	0.7
532.26746	100.0
533.27124	8.9
546.28308	8.8
607.24042	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.8
57.11914	1.2
59.01373	45.6
61.98824	51.3
66.88402	1.3
69.03444	2.2
70.73148	1.1
71.01387	6.4
71.10402	2.5
78.95899	24.2
78.98573	1.6
79.95728	4.7
80.96508	16.0
81.03438	3.7
83.01383	8.8
83.05004	3.4
85.02978	3.0
89.02457	1.5
93.03442	2.2
94.98072	5.7
95.05033	2.4
96.95995	4.8
96.96943	1.6
97.02876	2.5
97.06584	4.7
101.02423	3.3
106.04196	1.6
109.06566	1.8
113.02426	1.7
121.02863	1.8
122.97617	1.2
122.98479	2.3
123.04516	4.9
123.08150	5.1
125.09706	9.0
134.97577	1.6
135.08119	2.5
137.09718	5.0
139.11227	1.6
141.12949	1.4
148.99162	1.4
152.99628	6.9
163.11284	7.5
164.98584	4.1
165.09250	1.4
165.12836	2.3
168.04291	4.3
171.10233	2.1
173.04512	5.8
177.12831	1.5
179.10789	1.4
181.12387	2.3
185.11823	10.3
191.05579	3.6
191.10724	1.4
191.14420	9.3
197.11832	4.5
207.10254	8.6
209.11819	31.1
211.13406	1.3
223.13278	1.6
224.06873	3.6
225.00702	5.2
225.11298	5.6
226.00916	1.2
226.11949	2.2
237.11362	2.1
242.07956	11.2
245.19077	14.7
253.09137	3.6
254.09601	2.1
289.18057	41.2
290.18353	3.2
292.20114	2.0
299.01947	3.5
307.19116	35.5
308.19473	2.1
309.20670	2.7
310.21014	4.3
321.20645	19.5
446.07861	1.9
487.32791	1.8
532.26740	100.0
533.26990	11.3
546.28186	15.2
556.29156	1.3
562.32556	2.0
606.22888	22.3
607.24084	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.0
61.98824	100.0
69.34869	1.2
71.01379	0.5
78.95901	0.4
78.98625	0.2
79.95715	0.6
80.96508	2.1
83.01442	0.2
85.02910	0.2
87.00867	0.2
94.98093	0.6
96.96011	0.3
101.02451	0.2
109.06596	0.2
133.37556	0.1
139.36562	0.2
143.71541	0.2
147.55701	0.2
148.99086	0.2
152.98543	0.3
152.99648	0.2
153.76259	0.1
164.98582	0.3
173.04630	0.2
191.05612	0.4
207.10181	0.2
209.11858	0.4
225.00771	0.6
244.57423	0.2
252.87645	0.2
282.59155	0.2
289.18298	0.2
291.18988	0.2
373.33524	0.1
383.42007	0.2
385.99750	0.2
404.30673	0.1
532.27130	0.3
543.34381	0.1
607.24060	4.1
607.32739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87292	0.1
59.01360	0.3
61.98825	100.0
64.77767	0.1
66.75038	0.1
69.67809	0.2
71.23494	0.2
71.33549	0.3
78.95889	0.2
80.96487	0.3
94.92682	0.1
134.60574	0.1
143.41534	0.1
162.74405	0.1
173.74040	0.1
218.41942	0.1
249.88884	0.1
264.12241	0.1
307.19208	0.2
316.69360	0.2
345.47394	0.1
396.47440	0.1
607.23981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
59.01373	5.3
61.98828	21.6
63.02396	3.2
65.00313	4.7
67.28046	0.5
69.29446	5.8
71.01389	1.1
73.02921	0.7
78.23871	0.5
81.03429	0.9
83.01363	4.8
85.02930	1.7
93.03448	0.9
96.96008	22.3
98.19885	1.2
98.95600	0.9
101.02443	0.9
105.22992	0.5
107.01380	10.9
113.02378	1.2
115.96596	0.5
116.92844	1.2
117.14738	0.6
124.01648	2.2
125.02444	9.7
151.00357	48.2
152.01149	8.7
153.01929	3.6
159.04443	0.8
161.02464	0.9
161.04610	0.8
169.01396	2.7
173.04510	1.9
173.05925	0.9
175.03992	0.6
177.01825	1.1
178.99840	62.2
180.00188	1.9
181.01379	0.9
187.07603	1.4
189.05516	1.6
190.02724	1.0
191.05566	2.1
194.03987	0.7
197.05942	1.0
199.07538	1.0
200.04727	1.8
208.46707	0.7
212.04958	0.7
214.02943	0.7
215.07082	12.9
217.08737	3.1
219.06537	0.7
225.05507	1.0
227.07021	1.8
241.05135	1.4
243.06596	1.8
253.05031	2.6
254.05783	0.9
265.08600	0.7
271.02502	1.7
271.06073	4.8
293.08032	1.0
294.04904	0.7
299.01834	1.0
300.02676	2.3
311.09659	0.6
321.03668	0.7
322.04791	1.5
325.07043	1.0
335.09271	1.2
350.04230	0.8
351.08804	0.8
353.06693	5.3
369.09558	0.6
378.07651	1.4
379.08176	3.4
397.09225	9.9
398.09805	0.8
428.58151	0.7
446.30252	0.6
503.32196	1.5
543.15021	100.0
544.01715	0.6
544.15393	9.0
564.68628	0.6
607.12592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01377	7.9
61.98829	25.1
63.02387	4.3
64.58620	0.6
65.00316	4.8
71.01370	1.9
71.62628	1.3
73.02922	0.6
82.95406	0.9
83.01378	5.6
85.02940	1.3
87.00842	0.6
89.02412	1.0
93.03438	1.0
96.95985	2.2
101.02432	1.7
107.01389	12.3
109.02911	0.7
111.00892	1.2
113.02407	1.1
124.01657	1.8
125.02453	8.7
151.00368	55.0
152.01172	9.2
153.01929	3.3
159.04517	0.9
161.04654	0.7
169.01437	3.2
173.04579	1.3
173.06000	1.5
177.01913	1.1
178.99852	65.8
180.00262	1.4
181.01384	0.9
187.04033	0.9
187.07642	1.5
189.05487	1.6
190.02577	0.8
191.05589	1.7
197.05971	0.9
199.07587	1.9
200.04770	1.5
201.05588	0.7
203.03546	0.7
207.81898	0.7
215.07100	15.3
216.07773	1.0
217.08678	2.6
225.05446	1.3
225.92818	0.6
227.07112	2.5
232.03780	0.8
241.01389	0.6
241.05141	1.1
241.08571	0.6
242.05701	0.6
243.06612	2.0
245.59933	0.6
253.05002	2.6
254.05899	1.0
271.02481	2.0
271.06070	5.7
280.07224	0.6
293.07977	0.7
299.02127	0.7
300.02756	3.2
322.04803	1.2
323.08948	0.6
325.07007	1.1
333.07755	0.8
351.08679	1.1
353.06656	5.1
378.07361	1.1
379.08328	3.2
397.09235	11.3
397.13892	1.1
398.09735	0.7
417.11621	1.0
501.30872	1.4
503.32309	2.5
521.33130	1.2
543.15021	100.0
544.15375	10.6
607.12415	0.7
607.22784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	25.2
61.98826	100.0
65.39176	1.1
70.73301	3.0
71.01384	8.9
72.92418	0.9
72.99292	1.2
73.02949	3.9
78.95894	4.8
85.02924	4.2
87.00893	1.5
89.02429	4.9
93.03436	3.4
95.01409	1.3
96.96005	13.2
96.96624	1.5
98.20573	1.5
101.02444	7.7
111.08111	2.6
113.02435	4.8
113.51856	1.1
135.04471	1.1
151.00374	1.5
152.99615	1.3
155.75246	1.3
161.02463	1.3
161.04544	2.0
163.11197	1.1
171.10225	1.1
173.04520	4.1
181.12421	1.3
182.91936	1.1
186.94923	1.0
191.05600	5.2
197.11797	12.9
199.13307	1.8
209.11749	1.1
211.13281	3.2
243.02975	1.8
253.09326	10.7
270.01605	2.8
271.02646	5.3
277.85834	1.0
291.19662	8.3
298.01041	1.4
299.01990	14.5
300.02805	2.6
309.20663	25.2
339.25357	1.5
357.26324	7.7
396.08688	2.1
445.07675	2.4
446.08539	10.1
501.30588	3.5
519.31891	8.5
543.14929	10.0
561.32666	41.1
562.33411	5.6
605.23547	3.2
605.34790	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	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73661	1.7
57.81666	1.8
59.01379	33.1
61.98822	24.4
71.01386	12.0
73.02939	3.3
78.95914	4.1
79.95726	3.9
80.96494	3.6
85.02928	3.6
87.00867	3.4
89.02434	10.4
94.98029	2.7
96.95995	4.7
101.02417	11.2
109.06598	2.5
111.08156	13.8
113.02429	5.3
119.03494	2.8
133.79306	2.0
141.01619	2.6
161.04504	5.3
169.12354	5.8
191.05562	2.7
197.11807	81.3
198.12183	3.4
199.13342	5.2
207.10246	3.8
209.11746	2.3
211.13361	10.6
223.13124	1.9
253.09290	48.1
263.20087	2.3
291.19614	25.2
292.19821	2.6
309.20685	100.0
310.20935	9.3
495.67206	2.0
498.29547	2.2
545.29456	4.3
605.22345	9.9
605.35498	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	605.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.6
59.01376	29.3
61.98823	14.2
71.01377	9.6
71.62972	1.6
75.00863	5.7
78.95908	3.0
83.01378	5.1
83.05027	3.2
83.44370	1.3
85.02953	2.4
89.02438	5.7
96.96017	7.7
101.02445	6.3
109.06583	1.3
113.02435	4.1
118.06268	1.2
123.08160	2.7
125.09677	3.1
138.90605	1.4
139.11313	2.3
149.85884	1.3
152.99680	1.3
161.04547	3.7
163.11108	1.7
165.12837	10.4
167.10805	2.4
181.12297	3.1
191.05688	1.3
191.10677	2.4
193.15932	3.5
197.11917	1.3
209.09828	2.4
209.11809	35.1
210.12172	1.4
227.12851	1.7
228.34506	1.4
247.20619	8.6
253.09250	31.9
254.09721	2.0
265.21539	6.3
273.18524	3.3
291.19650	57.5
292.20047	3.5
309.20697	100.0
310.20981	6.0
407.17072	1.5
445.20535	3.9
523.32202	2.4
545.29730	5.2
621.01373	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	605.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11757	2.7
59.01378	51.7
64.52882	3.2
65.68428	3.3
71.01382	43.3
71.63515	3.4
71.96071	2.9
73.02953	15.8
83.01366	4.0
85.02943	17.8
87.00858	4.9
89.02457	16.0
93.03442	4.7
95.01395	3.7
97.02940	5.7
99.00886	11.2
101.02443	25.1
109.02911	3.0
113.02457	25.8
131.03522	4.6
137.02483	3.0
143.03540	4.6
149.04521	4.8
159.02895	4.0
161.04538	13.7
173.04575	7.4
191.05592	9.4
209.15404	8.5
247.26685	2.9
253.59662	2.9
273.99527	3.0
304.67911	2.8
371.20697	7.0
398.93109	2.9
401.80600	3.4
485.23880	39.7
503.24942	100.0
504.25159	10.1
561.25275	6.4
583.40930	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	605.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	42.5
61.98825	1.1
64.35230	1.4
69.03447	1.9
71.01379	24.5
71.63448	1.6
71.63816	1.6
73.02939	23.1
74.48297	1.1
79.95741	4.7
81.03452	2.0
83.01382	1.9
85.02950	5.3
87.00848	2.6
89.02438	26.0
93.03466	4.1
94.03789	1.2
95.01385	1.6
96.96005	100.0
97.02958	1.8
98.32316	1.3
99.00875	69.0
101.02444	10.0
113.02451	12.9
119.03516	3.1
125.02451	3.8
131.03485	8.3
135.04478	1.3
143.03523	3.6
149.03345	1.8
149.04546	32.1
155.03482	2.8
161.04565	5.5
173.04532	9.5
191.05592	36.4
203.05603	12.5
233.06622	8.3
335.09839	2.2
502.10251	1.8
519.24274	3.0
561.25513	30.8
562.26050	2.7
605.27631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72491	1.4
55.01852	1.8
55.76265	1.1
58.00581	1.4
59.01376	67.7
69.98849	5.2
71.01372	25.0
72.99306	1.3
73.02942	14.4
83.01395	2.1
85.02932	7.6
89.02436	15.4
97.02945	1.5
99.00871	26.4
101.02435	11.4
113.02422	13.6
119.03539	1.3
123.08149	10.1
125.02374	1.9
131.03470	4.2
137.09711	3.7
143.03450	2.9
148.04066	1.2
149.04547	11.9
161.04556	6.7
163.11263	9.0
173.09521	1.2
189.12811	14.6
191.05592	10.6
199.63237	1.3
203.05563	5.3
207.13857	15.6
225.14832	1.8
233.06546	2.9
289.71808	1.3
386.70135	1.3
387.20297	2.0
429.21265	4.2
501.23071	2.9
519.24347	22.3
520.24664	1.9
561.25439	100.0
562.25854	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	605.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.0
59.01374	81.5
68.53227	1.4
71.01382	22.1
72.30086	1.4
73.02942	12.2
81.03463	1.6
83.01365	2.3
85.02941	8.9
89.02428	14.1
95.01373	2.3
95.34084	1.5
97.02916	1.8
98.19836	4.7
99.00864	14.5
101.02445	14.2
108.16367	1.5
113.02436	12.6
118.57777	1.4
119.03493	3.2
123.08155	12.9
125.02474	2.6
131.03459	1.8
137.09630	3.5
143.03458	1.8
149.04543	2.0
161.04517	5.0
163.11263	12.3
189.12830	18.6
191.05669	3.5
197.05110	1.5
197.07060	1.3
207.13889	24.0
219.93237	1.5
225.14882	2.6
387.20157	2.8
425.30515	1.6
429.21341	4.5
519.24445	24.9
540.43567	1.6
561.25464	100.0
562.25787	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	605.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77650	1.6
59.01375	80.6
66.48273	1.6
69.25639	12.6
69.26044	2.1
71.01375	39.6
73.02940	30.2
83.01395	3.9
85.02937	9.7
87.00874	7.8
89.02433	37.7
95.01391	2.6
95.49528	1.3
96.96020	5.8
97.02961	1.8
99.00871	76.6
101.02439	20.2
113.02424	16.7
119.03485	3.3
123.08163	5.7
125.02425	4.7
131.03510	7.9
137.09753	1.8
143.03510	4.9
149.04533	37.7
155.03412	3.0
161.04555	8.9
163.11273	4.2
189.12883	10.8
191.05600	30.7
203.05576	15.5
207.13881	9.5
231.02519	1.6
233.06599	11.0
335.09790	6.7
352.32043	1.8
353.10654	1.7
387.20572	1.6
429.21338	3.3
517.22870	4.9
519.24512	14.3
543.24341	3.8
561.25488	100.0
562.25781	9.4
567.31268	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	605.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93402	1.2
59.01375	16.4
59.61430	1.0
67.03685	1.1
69.36501	7.3
69.36913	2.4
71.01373	6.9
73.02950	4.1
83.01389	1.3
85.02960	3.1
87.00874	2.3
89.02447	4.7
93.03450	3.2
93.04565	1.3
96.96004	6.0
99.00890	6.7
101.02444	3.5
103.94487	1.2
108.90717	1.1
109.06582	2.2
113.02451	4.0
121.02114	1.0
121.02921	5.8
125.02431	1.3
125.68284	1.4
135.04477	1.4
149.04550	4.0
149.06044	1.1
156.51668	1.1
156.52975	1.0
160.59619	1.1
161.04474	1.4
163.03996	1.8
173.04512	4.4
175.04028	6.1
186.21097	1.2
190.06412	1.7
191.05614	7.0
192.61371	1.0
203.07246	1.4
207.08092	1.3
207.10013	2.3
217.36958	1.1
222.05342	3.7
225.09213	1.4
230.65872	1.0
235.07692	2.2
239.07098	1.3
241.04839	1.5
251.07127	2.2
253.08710	2.3
261.05518	2.0
263.07092	4.6
267.06625	1.7
269.08127	7.3
279.06577	5.4
281.08170	10.7
282.08853	1.7
283.09756	1.6
291.06534	2.6
293.08115	2.7
294.09003	4.6
296.10522	3.2
297.07724	27.2
297.11356	3.0
298.07983	1.9
308.10547	2.8
309.07642	35.6
309.11258	11.3
310.07877	3.5
312.09998	29.2
313.10297	1.5
323.09183	5.8
324.09946	24.4
325.10193	2.8
327.12329	100.0
328.12671	6.4
339.12329	81.0
340.12592	5.0
379.07849	1.3
389.10132	1.5
397.13028	2.0
415.14722	1.9
519.24561	1.5
561.25415	6.3
605.23511	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	605.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06114	0.8
59.01095	1.3
59.01377	21.4
61.46601	0.9
61.98823	1.6
65.76444	0.9
69.38818	7.8
71.01373	9.2
73.02950	6.1
83.01389	2.8
85.02943	2.0
85.07567	0.9
89.02421	7.0
93.03439	3.5
96.95979	3.5
99.00864	5.3
101.02434	4.6
113.02431	3.9
119.03473	0.9
121.02962	4.5
122.03718	3.0
124.01621	1.2
131.03436	1.2
134.03757	1.6
135.04448	0.8
136.01657	67.3
137.02399	2.0
143.03474	0.9
149.04529	3.9
151.04002	100.0
152.04311	3.5
160.05348	1.2
161.04547	1.7
162.03223	1.1
173.04561	4.4
173.05899	0.9
175.07587	1.1
177.05551	1.5
179.05602	1.2
191.05542	4.9
233.06570	1.0
339.12189	1.6
342.11075	5.2
356.11542	0.9
357.13391	99.9
358.13712	8.1
501.30658	2.7
545.26410	5.4
605.24194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	3.9
98.19854	8.7
101.15825	3.7
119.87383	3.2
148.76712	2.7
175.16281	2.7
194.92015	2.5
225.22269	16.2
229.62894	2.8
238.56148	3.3
253.21701	7.3
271.22672	8.2
314.26962	5.1
341.64136	3.2
502.02213	3.0
532.56787	3.2
568.49475	100.0
569.50311	14.1
595.43286	3.2
604.47174	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34207	0.5
59.01374	1.3
60.99303	6.4
67.65254	0.5
69.90434	0.5
78.95891	1.3
87.00870	4.8
88.00390	5.9
88.01197	0.7
88.04037	1.0
88.98798	42.0
89.02433	100.0
90.02741	1.1
111.53013	0.5
137.83543	0.5
148.90906	0.8
152.99495	0.7
230.00455	0.7
277.21686	1.7
285.06689	0.5
603.19617	0.5
604.19537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	6.1
61.98825	3.0
66.52682	3.2
71.63261	3.7
78.95897	12.0
83.05022	10.3
84.02203	2.9
96.95988	16.1
121.10220	6.7
126.32343	2.8
127.11277	3.0
137.09715	18.1
152.99570	3.7
153.09167	2.8
155.10776	21.2
171.10260	36.3
178.24738	2.6
179.89191	3.3
191.05557	3.0
193.12289	6.6
196.89429	3.1
263.20212	3.3
275.20132	28.4
291.19669	31.1
293.21173	34.9
309.17136	5.6
309.20673	100.0
310.21112	7.4
604.37219	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	603.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.4
57.73118	2.1
59.01374	48.0
61.98829	11.1
71.01360	15.4
71.10654	5.6
73.02956	2.5
78.95892	2.8
80.17735	1.9
85.02943	4.3
87.00880	2.5
89.02424	7.1
93.03392	2.5
97.06582	10.0
101.02429	10.9
111.08139	2.8
113.02428	3.6
119.03516	2.9
125.09673	2.8
151.11275	9.2
155.10716	2.7
161.04546	3.6
163.11234	4.3
165.12842	15.5
167.10664	2.8
179.10803	4.7
181.12279	12.5
191.05615	3.6
191.10832	4.8
191.14383	2.4
201.62250	2.5
209.11798	43.5
211.13391	2.3
215.07036	3.1
227.12915	11.5
244.44278	2.5
245.19028	10.4
253.09290	31.9
263.20068	17.4
289.17984	14.3
307.19116	100.0
308.19440	5.6
445.20734	26.1
460.19427	4.3
476.03531	2.5
543.27844	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03429	2.8
59.01375	100.0
61.98819	5.6
71.01379	30.8
71.63052	2.2
72.99307	2.8
73.02946	16.2
78.95925	1.5
80.31229	1.5
83.01369	7.3
83.05011	1.9
85.02950	17.1
87.00879	4.4
87.04488	2.4
89.02442	15.7
93.03456	5.9
94.78836	1.6
95.01375	4.1
96.96001	14.1
98.95600	2.1
99.00887	5.6
101.02444	20.8
102.07841	1.6
105.48034	1.4
108.84267	1.5
113.02439	21.3
119.03510	5.4
137.02458	1.6
143.03453	3.7
147.50040	1.7
149.04547	2.3
161.04561	5.0
167.10738	2.5
171.10078	1.8
173.04590	9.0
179.05609	3.1
191.05588	18.4
319.22568	1.6
328.22122	1.9
337.23749	4.8
355.24893	4.3
373.91235	1.7
423.23758	1.9
441.24719	2.2
481.27441	2.0
499.29068	74.0
500.29556	9.4
517.30103	28.0
518.30548	2.7
553.29657	5.4
559.31152	12.8
560.31366	1.9
565.37317	2.4
603.29047	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03761	0.7
55.01876	1.5
57.03422	2.3
59.01375	37.8
61.98833	1.8
69.30617	6.9
71.01374	9.8
73.02950	1.7
75.23506	0.7
75.44068	0.7
80.02657	0.9
80.62845	0.6
81.03441	2.5
83.01378	3.0
83.05013	1.4
85.02930	3.1
86.00291	0.7
89.02436	7.7
93.03440	1.1
95.01383	0.7
95.05017	1.9
96.95993	1.5
97.02937	2.2
97.06575	2.8
98.20621	1.8
101.02431	8.6
106.04200	1.0
107.71855	0.9
109.06558	2.1
110.03702	0.8
111.04555	1.1
113.02455	4.7
116.92764	0.7
119.03495	2.1
121.06635	0.9
123.04508	3.4
123.08134	1.2
125.06078	1.1
125.09715	5.0
127.07632	0.8
137.09723	3.5
141.12843	1.3
143.03499	1.1
150.60837	0.7
161.04585	3.6
163.07590	1.2
163.11264	6.3
165.09137	0.8
165.12860	1.7
167.10744	0.7
171.10225	1.5
173.04610	1.5
179.05663	1.2
181.12285	1.3
185.11821	7.2
191.05536	2.0
191.10742	1.4
191.14421	7.6
193.12309	1.0
207.10181	3.4
209.11823	15.6
210.12117	1.6
211.13376	1.9
217.15956	1.4
225.11292	3.3
235.08186	0.9
237.11237	3.3
245.19084	16.3
246.19551	1.4
253.09264	37.7
254.09589	1.7
263.20264	1.2
271.17014	2.9
289.18069	100.0
290.18372	6.9
307.19125	81.9
308.19479	6.9
419.18863	0.9
543.27917	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	603.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48829	2.9
59.01378	43.7
61.98826	6.9
68.68808	3.1
69.54212	10.1
69.54615	7.5
71.01373	17.8
75.02882	2.8
78.95924	2.6
83.01371	3.1
85.02957	5.9
87.00877	4.0
89.02435	13.3
96.95999	4.5
97.02938	4.7
101.02449	14.5
110.24976	3.1
113.02445	7.5
119.03435	3.4
119.82300	2.9
125.09721	8.0
137.09673	4.3
154.86031	2.8
161.04497	7.7
163.11288	9.0
165.12750	4.3
173.04559	7.3
184.39900	2.7
185.11871	5.7
191.05620	5.6
191.14395	9.5
209.11845	28.0
225.11310	4.1
237.11227	4.8
245.19041	17.3
253.09262	59.5
263.20026	5.3
289.18076	96.2
290.18411	4.8
307.15494	4.8
307.19107	100.0
308.19452	4.7
322.76941	2.7
325.02139	3.3
325.52490	2.6
328.42786	3.1
361.30103	2.5
389.61691	2.9
603.21332	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	603.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14203	1.5
56.89230	1.6
57.03440	3.7
58.00592	2.1
59.01376	100.0
61.98822	1.7
62.36205	1.6
71.01379	56.3
72.99282	2.8
73.02933	22.1
74.75894	1.8
78.95898	2.9
82.21062	1.4
83.01376	4.3
83.56161	1.6
85.02943	23.1
87.00876	2.5
89.02439	60.3
93.03443	6.6
95.01377	7.2
96.95997	14.4
97.02873	2.3
98.95585	8.5
99.00870	33.7
101.02444	23.8
113.02438	38.4
113.55166	1.6
114.78365	1.6
119.03468	6.8
125.02387	4.8
127.03911	1.5
131.03516	11.3
143.03494	16.5
149.04541	65.8
161.04521	14.6
173.04506	16.3
174.04796	2.7
179.05586	6.3
191.05603	29.3
203.05659	3.6
233.06651	20.1
234.06892	1.9
241.41229	1.6
275.07755	2.7
293.08826	7.9
429.17224	3.9
499.29227	13.8
517.30267	2.3
561.28998	2.6
565.49768	2.7
588.66919	1.8
601.30731	1.9
603.22089	3.8
603.31104	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	603.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94448	0.8
55.01864	2.0
57.03445	1.0
58.00600	1.5
59.01375	52.3
63.69879	0.8
65.18607	0.8
68.70685	0.9
69.49843	5.1
69.50256	1.7
70.54069	0.8
71.01379	28.0
72.99287	1.1
73.02943	18.1
80.89831	0.8
83.01376	2.9
85.02946	8.2
89.02440	16.2
89.23425	0.8
95.01357	2.1
96.96028	1.0
97.02943	2.3
99.00871	38.3
101.02433	9.4
113.02441	17.5
115.29841	0.8
115.86797	0.9
116.58736	0.8
119.03545	1.6
123.08037	1.1
125.02448	1.8
125.06117	0.8
126.42124	0.9
131.03474	3.9
136.05334	2.0
138.06859	4.8
139.07654	1.3
143.03516	1.5
145.11034	0.8
149.04564	5.5
149.05627	0.8
151.07626	4.0
152.08429	11.2
153.09207	28.2
159.02783	0.8
161.04507	4.7
161.09717	1.8
163.11253	1.2
179.10736	1.0
191.05577	7.6
197.74870	0.9
203.05618	3.4
205.12326	30.9
206.12672	1.4
223.13374	5.2
233.06544	1.4
304.19476	0.9
337.37607	0.9
367.17511	10.9
368.18015	1.8
385.18658	2.6
427.19684	11.5
428.20090	1.2
460.37268	1.0
499.21930	8.7
517.22876	20.5
518.22906	1.5
559.23877	100.0
560.24121	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	603.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01376	46.2
70.02802	2.5
70.03212	1.4
71.01377	26.6
72.99307	1.8
73.02942	14.1
74.45618	0.8
79.41769	0.8
83.01382	3.0
85.02932	7.0
87.00819	1.2
89.02437	15.9
95.01361	1.9
97.02945	1.9
99.00874	35.4
101.02428	11.5
113.02436	16.2
119.03467	2.0
123.08162	1.2
125.02430	1.9
131.03477	3.1
138.06886	4.3
139.07616	1.2
143.03464	2.2
149.04539	5.5
151.07607	5.9
152.08417	9.3
153.09193	23.1
154.09523	1.1
155.03322	1.0
159.02942	1.1
161.04541	4.0
161.09669	1.2
163.11234	1.2
165.09149	1.4
191.05588	6.5
203.05626	2.9
205.12297	27.6
206.12532	1.1
223.13443	4.4
367.17575	12.2
368.17798	1.2
385.18628	3.0
427.19693	11.8
428.20090	1.5
499.21869	8.7
500.21802	1.2
517.22864	23.1
518.22998	2.1
559.23883	100.0
560.24176	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	602.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34682	0.7
61.98826	100.0
70.93920	1.5
70.94300	1.5
180.57843	0.8
194.24586	0.7
284.68381	0.7
373.00082	0.8
443.64017	0.8
450.46338	0.8
550.61469	0.9
599.45111	0.7
602.81842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75726	2.6
57.03435	13.3
59.01375	100.0
62.91991	3.4
63.57654	2.6
69.03411	3.5
71.01373	56.8
73.02940	31.3
83.01373	2.9
84.92119	2.8
85.02945	18.2
87.00878	6.1
89.02429	44.4
91.72815	2.8
93.03443	8.1
95.01352	3.7
96.95991	12.5
97.02977	4.5
98.19850	7.3
99.00867	99.6
101.02441	21.3
113.02433	18.4
113.06071	5.9
125.02423	6.0
131.03503	16.0
135.04588	3.3
137.09715	6.6
143.03477	3.3
149.04535	58.5
150.07155	3.2
151.00426	3.7
151.07683	4.7
153.09198	49.6
155.03461	6.0
161.04517	11.3
163.11310	4.7
165.09193	13.3
173.04475	16.5
181.88702	3.2
185.37540	3.2
187.11241	8.8
191.05582	63.7
203.05580	35.1
205.12274	14.4
222.12448	3.6
223.13364	60.3
224.13690	3.2
233.06633	12.9
335.09738	3.7
339.68240	3.6
375.09048	3.1
517.22827	22.0
518.23834	5.8
559.23798	98.7
560.24274	9.4
561.25146	4.0
603.22955	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	602.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	2.1
59.01374	100.0
60.01707	1.9
61.98825	73.5
69.54677	1.2
71.01373	28.1
72.99308	1.8
73.02941	18.2
83.01375	6.4
85.02943	10.3
87.00844	1.4
89.02439	13.1
93.03445	5.2
95.01367	2.9
96.96013	6.5
97.02951	1.3
99.00922	2.3
101.02438	21.4
109.02933	1.1
113.02438	19.6
119.03503	6.0
125.02425	2.2
136.05270	1.6
137.02402	1.4
143.03459	2.7
149.04466	3.4
151.07666	9.7
152.08392	7.8
155.03473	1.4
161.04561	8.2
173.04530	11.3
179.05582	3.4
191.05585	22.3
192.06021	2.1
201.85951	1.2
203.05563	1.4
221.06709	1.9
341.43008	1.5
344.87210	1.2
354.23718	1.8
427.14862	1.3
435.23770	27.8
436.24112	1.7
453.24774	6.7
495.25916	19.3
543.28082	4.1
559.31189	1.5
560.27942	1.8
561.29810	2.5
582.27765	1.7
602.28345	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	602.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04436	1.3
59.01375	73.0
61.98826	100.0
63.94147	1.2
71.01378	23.6
72.20331	1.4
72.99310	1.5
73.02936	15.5
83.01376	5.8
85.02939	4.1
89.02428	8.6
93.03482	1.9
95.01363	1.6
99.00873	1.5
101.02427	16.9
113.02424	12.3
119.03477	3.8
125.06070	1.4
136.05252	3.4
143.03461	3.0
149.04523	3.8
149.05992	1.4
151.07655	11.0
152.08459	7.3
160.94116	1.4
161.04503	5.4
173.04526	3.5
179.05617	2.7
191.05586	3.1
215.33984	1.5
217.12263	3.3
218.12881	1.3
221.06761	2.1
236.18723	1.5
243.57883	1.4
273.18573	1.6
291.19577	3.9
435.23834	47.9
436.23883	3.9
453.24832	23.6
454.25049	2.4
480.24097	1.7
495.25961	77.4
496.26450	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	601.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02624	1.9
56.09261	1.6
66.17531	1.7
95.32986	1.8
97.46549	2.0
121.10215	5.2
123.04506	3.2
123.08144	7.8
139.11264	5.3
142.02667	2.6
151.11256	4.3
171.10236	8.9
199.13370	19.2
201.11363	1.8
245.18991	10.8
247.17119	2.5
254.78395	1.6
275.20142	15.6
277.44324	2.2
289.18085	68.2
290.18295	4.0
293.21207	16.0
294.21179	2.2
307.19128	100.0
308.19437	7.1
325.19992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17762	1.9
59.01377	94.9
59.33489	2.3
61.98827	98.7
66.30348	2.2
69.29931	20.2
71.01380	27.2
72.99301	2.6
73.02940	13.4
73.21121	2.1
83.01376	3.3
85.02935	11.1
89.02448	9.4
93.03453	7.5
95.01376	3.7
96.96005	8.3
98.19904	4.3
98.22490	2.0
101.02430	14.5
113.02448	13.7
119.03486	4.2
134.36896	2.3
137.02425	3.0
149.68045	2.1
151.07642	5.7
152.08424	13.5
161.04514	6.0
173.04495	11.0
179.06972	2.1
191.05586	17.9
275.67361	2.3
291.19629	3.9
299.01947	3.3
301.03421	2.5
316.31396	2.3
337.06934	2.3
417.22665	2.6
435.23840	100.0
436.24176	9.4
453.25085	21.6
475.46539	2.5
477.25342	2.5
495.25925	52.1
496.26309	5.9
602.35168	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	601.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
70.53280	1.1
75.74612	0.4
78.95888	0.4
84.95125	0.9
87.00869	100.0
88.00389	5.1
88.01199	0.8
88.04028	0.8
127.54311	0.4
148.11099	0.4
277.21677	2.4
283.61972	0.4
326.60309	0.3
339.04813	0.4
370.46490	0.4
392.97849	0.4
437.88446	0.4
523.26044	0.4
602.19226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86689	1.3
57.79446	1.3
61.98826	100.0
64.75660	1.4
70.87523	3.4
70.87868	2.0
76.69685	1.5
86.61476	1.3
134.48079	1.3
180.11507	1.3
199.62347	1.4
247.26108	1.4
285.78439	1.5
609.73993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28648	0.4
55.01873	2.8
56.06885	0.4
57.03450	2.9
58.00589	1.7
59.01375	100.0
60.01713	0.9
60.25445	0.4
61.98821	1.8
63.21228	0.4
67.01885	0.4
69.03443	1.4
69.34373	2.8
69.34789	0.9
71.01377	56.2
72.99295	3.6
73.02939	16.4
75.00874	1.1
78.54552	0.4
78.95907	0.4
79.95731	0.9
81.03450	1.1
81.07058	0.6
83.01379	13.2
83.05034	1.0
85.02944	25.6
86.00041	0.4
87.00870	4.7
89.02435	24.6
93.03461	1.8
95.01385	5.7
96.01664	0.5
96.96001	18.4
97.02950	4.3
98.95573	0.6
99.00877	7.9
99.04565	0.6
101.02435	42.6
106.05576	0.4
109.02953	0.9
111.00867	1.5
111.04532	0.8
112.01664	0.8
113.02438	29.6
115.04037	0.5
116.92834	0.6
119.03488	10.9
119.04307	1.0
122.40047	0.5
123.04487	0.5
124.01659	0.5
125.02431	6.7
127.03988	0.8
129.01923	1.0
131.03485	3.0
137.02412	1.0
139.03998	0.7
143.03488	7.1
149.04526	1.0
151.00356	1.0
155.03534	1.5
159.02963	3.0
160.01657	0.5
161.03206	0.9
161.04552	17.7
167.03442	0.8
173.04510	3.5
178.99876	0.6
179.05583	4.2
185.04559	1.2
191.05591	5.2
209.11732	0.5
217.15950	1.2
221.06657	3.2
245.06483	0.5
253.09041	0.5
263.07776	0.8
280.58844	0.5
299.01910	0.5
327.21631	0.5
331.19034	2.1
341.10733	1.0
361.20074	0.6
379.21161	2.7
394.26740	0.5
397.22272	7.7
398.22598	0.8
439.23361	7.3
440.17111	0.4
463.23450	0.8
483.21848	0.5
541.26617	7.0
542.26849	0.7
543.15356	0.9
557.29272	0.7
559.27533	51.3
560.27838	5.3
601.28583	93.5
602.28967	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	599.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58295	3.6
55.09194	3.4
57.03427	5.6
59.01373	9.4
62.40208	3.7
71.62880	6.0
81.03454	4.4
82.95412	27.5
83.01384	5.8
83.05022	4.6
97.06590	10.6
119.69894	3.7
123.04551	6.1
125.09702	12.5
129.15794	3.9
144.95970	3.8
147.75266	4.2
161.02432	4.4
163.11232	11.3
165.12828	11.6
171.10248	6.8
174.91310	3.9
181.12260	5.3
185.11790	15.6
187.00670	4.0
191.14392	16.2
207.10249	7.0
209.11783	72.9
217.15991	4.3
225.11227	5.0
245.19058	29.4
247.20657	5.4
251.39313	3.7
289.15015	7.4
289.18066	100.0
290.18454	6.2
291.19662	37.4
307.19101	78.8
308.19461	4.6
454.27628	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	599.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25024	0.2
59.01377	2.5
61.98828	3.2
69.44475	0.9
69.44898	0.7
71.01376	1.4
72.99260	0.2
73.02938	0.6
75.00870	0.2
78.95897	0.5
79.95733	3.0
85.02946	0.7
87.00875	0.3
89.02444	0.9
93.03458	0.5
96.96004	100.0
97.02908	0.3
97.95927	0.2
98.95596	0.3
99.00889	1.0
101.02433	0.9
113.02449	0.4
125.02425	0.2
125.09742	0.3
127.11280	0.6
131.03423	0.2
133.02948	0.3
155.10825	0.2
161.02463	1.0
161.08113	0.3
165.09163	0.3
173.04529	0.6
179.05579	0.4
191.05583	2.1
199.09787	0.3
201.11301	12.4
202.11662	0.5
254.02580	0.2
287.09570	0.6
328.34659	0.2
397.13464	0.8
399.12854	0.8
403.76218	0.2
415.14536	2.5
446.08246	0.4
457.24210	0.3
488.08139	0.2
561.18390	0.3
599.20038	46.2
600.20428	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	598.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13626	1.8
61.25180	1.9
61.98820	3.9
78.95908	4.6
82.95413	100.0
84.00394	4.1
84.00902	79.7
84.95114	38.2
91.11971	1.6
92.85212	1.8
133.42807	1.7
152.99600	2.8
241.09207	1.8
253.09273	6.4
259.15262	2.3
262.89713	2.1
277.21674	33.0
278.21970	2.4
279.23529	2.4
280.23611	3.1
598.29974	8.9
625.15228	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	599.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95768	0.2
58.70202	0.2
59.01368	0.5
59.10388	0.2
61.98820	2.4
71.01382	0.3
71.13633	0.4
73.02940	0.3
79.95734	2.8
80.50163	0.2
89.02449	0.3
93.03440	0.3
95.11397	0.2
96.96002	100.0
97.95944	0.3
99.00871	0.6
113.02438	0.2
173.04472	0.2
191.05574	0.8
201.11314	0.7
287.09531	0.7
289.11151	0.2
467.15836	0.3
599.20087	52.2
600.20422	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	598.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41697	0.4
51.24263	0.4
51.86794	0.5
58.02975	7.0
59.01366	1.5
61.98823	3.3
62.99646	0.4
66.03482	1.0
70.02965	0.6
71.01373	0.8
71.63008	0.6
72.00918	1.0
74.02470	14.3
74.87064	0.4
80.03773	0.5
81.04573	1.1
82.02970	1.8
84.04523	0.7
84.29420	0.4
85.02962	0.7
86.02475	4.4
86.06120	1.2
86.99081	0.9
87.05639	2.9
90.00183	1.4
93.03455	1.2
96.96008	3.7
97.04060	2.0
99.05639	11.4
101.07186	1.6
102.05602	1.7
107.06144	0.8
107.19166	0.4
109.04074	2.4
109.07700	0.6
111.05633	1.3
112.04029	1.7
113.03600	0.7
116.01763	0.6
120.01251	0.8
123.05611	1.0
124.04037	1.1
125.03555	1.2
127.05102	2.0
128.03534	35.9
129.03870	0.5
135.04712	0.7
135.05661	4.3
137.07236	1.0
141.06711	3.0
143.04617	49.6
144.04945	0.8
145.06169	1.9
146.04593	5.0
153.06679	3.2
158.69135	0.5
160.00731	14.1
166.09831	1.6
167.04593	4.0
167.08258	2.9
170.03223	0.6
171.04219	0.5
171.07758	0.5
173.04558	1.6
177.03378	5.9
179.04610	10.8
181.06163	1.4
185.05644	1.6
191.05620	2.0
192.06076	0.6
192.07787	1.3
193.06093	0.5
197.05653	1.8
209.11829	0.5
210.08826	9.7
242.02132	0.9
242.07727	1.0
254.07787	14.8
270.01749	1.0
271.02301	0.7
272.08847	27.4
273.09189	1.4
288.06567	7.9
298.01480	0.6
306.07620	100.0
307.07864	3.9
414.09647	0.7
415.09686	0.8
449.12619	0.5
484.25790	0.5
502.14096	0.5
561.16083	1.3
562.16803	2.8
580.26965	0.6
598.13354	0.7
598.27966	13.1
599.28760	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	11.6
59.01372	7.7
61.98814	4.3
66.03476	0.7
69.71310	1.6
69.71721	2.9
71.01384	3.2
72.00912	1.4
72.97546	1.7
73.02932	1.5
74.00698	1.0
74.02466	24.2
81.04578	1.6
82.02985	3.0
84.04530	0.9
85.02943	0.7
85.04066	0.7
86.02472	10.5
86.06115	1.4
87.05640	3.2
89.02420	1.3
93.03448	1.8
96.04524	0.9
96.96019	1.8
97.04061	4.6
99.05636	18.9
100.00394	1.7
100.04080	0.7
101.02412	1.1
101.07184	3.3
102.05595	3.9
107.06147	1.8
109.04057	3.6
109.07707	0.9
110.02408	0.8
111.05633	2.1
112.04044	2.0
113.02415	1.5
115.07588	1.6
119.81822	0.6
123.05619	1.1
124.04005	1.1
125.02694	0.8
125.03566	3.0
127.05127	2.8
128.03529	61.7
129.03873	0.9
135.04704	1.0
135.05630	6.1
137.07201	1.6
139.01506	1.0
141.06686	2.7
143.04613	78.3
144.04953	1.2
145.06175	3.5
146.04585	7.7
149.05972	0.7
149.07161	1.3
153.06653	4.9
155.08269	1.0
161.74887	0.6
164.81778	0.7
165.12875	1.3
166.09880	3.8
167.04610	2.4
167.08253	5.4
169.06169	1.1
170.03326	2.1
171.04077	1.5
171.10246	2.5
173.04581	3.8
179.04607	19.6
180.04916	1.1
181.06175	2.0
184.10835	1.0
185.04088	1.0
185.05681	2.5
191.05605	2.3
192.06049	0.7
192.07785	1.6
193.06070	0.7
197.05629	3.7
209.11890	1.8
210.08832	16.7
225.78362	0.8
228.09795	2.0
254.07793	46.2
255.08195	1.7
256.11441	2.3
272.08850	100.0
273.09067	3.4
291.19647	2.2
304.06018	1.4
325.18265	5.9
469.23761	4.3
502.14273	0.7
580.26733	6.0
581.26910	0.9
598.27985	49.3
599.28424	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	597.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88369	0.3
58.00599	0.3
59.01135	0.3
59.01386	3.7
61.76820	0.3
61.98827	2.5
63.57441	0.3
69.03436	0.4
71.01376	2.7
71.62811	0.4
72.99290	0.4
73.02944	1.0
75.00878	2.5
75.01260	0.4
78.95888	0.3
79.08458	0.3
81.02967	0.6
81.03452	9.9
83.01366	0.3
83.05020	30.4
84.05349	0.6
85.02940	2.4
87.00858	0.7
88.98796	0.6
89.02446	0.4
93.03444	2.5
96.96005	4.3
98.11505	0.3
99.00854	0.4
99.06394	0.3
100.07677	4.5
101.02450	1.7
101.02992	0.3
108.04549	0.4
113.02435	0.9
115.29858	0.3
116.92850	1.1
119.03471	0.3
125.02420	0.4
126.05602	0.8
127.04000	0.7
133.05070	0.6
137.02487	0.3
137.69308	0.4
173.04555	5.5
191.05614	5.4
192.05988	0.6
199.13403	0.8
199.18147	6.8
207.15129	0.5
224.17711	0.6
225.16054	7.7
226.16510	0.3
243.17101	18.0
244.17369	0.5
251.11485	0.4
269.14963	1.0
309.21884	0.8
353.20786	7.0
354.21024	0.3
423.16422	0.8
425.35461	0.4
433.32153	0.4
451.32800	1.7
465.26904	0.4
469.33896	13.4
470.34152	1.2
493.26260	0.7
495.32224	0.4
496.83887	0.3
507.24408	0.3
511.27045	0.5
535.38898	0.3
537.32990	0.5
553.39886	0.4
579.37695	3.8
580.37915	0.8
597.38727	100.0
598.29974	0.7
598.38995	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	597.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	50.2
69.46006	3.8
71.01392	2.2
73.02959	0.9
85.02954	1.1
89.02437	1.5
93.03474	1.6
96.95998	2.3
98.20627	0.8
101.02423	1.2
105.80939	0.5
113.02438	1.1
121.02972	4.1
122.03754	5.4
125.09682	0.5
133.02954	1.4
135.04530	0.8
142.60794	0.5
146.03720	8.0
149.02425	12.0
150.03209	46.4
151.03574	1.1
161.02429	0.9
161.04659	0.9
161.06081	3.3
163.04021	0.5
164.04762	9.9
165.05550	73.9
166.05913	2.6
167.43890	0.4
173.04576	0.5
179.07118	27.7
180.04274	4.3
180.07478	0.9
191.05617	1.7
195.06602	100.0
196.06898	3.2
199.09735	1.5
203.35271	0.4
209.04521	1.7
222.02388	0.5
312.09982	3.4
327.08572	0.8
327.12338	13.4
328.12741	0.7
375.14432	22.7
376.14920	1.3
397.13290	0.5
399.12741	1.1
402.04153	0.5
427.17111	0.5
436.18674	0.5
493.22928	0.7
511.23666	0.5
597.23694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36557	0.8
59.01374	67.1
69.45759	2.6
69.46188	3.7
71.01357	2.0
72.23961	0.9
84.96771	0.7
85.02928	1.7
88.98794	0.9
89.02412	0.9
90.84339	0.7
93.03441	2.1
96.96023	6.5
98.19774	1.3
98.95570	0.9
101.02398	1.5
106.99301	0.8
113.02413	1.0
119.05074	0.8
121.02940	5.8
122.03747	4.1
122.84673	0.7
130.43930	0.8
133.02859	1.1
135.04565	1.2
146.03726	10.3
149.02428	41.9
150.03212	45.5
151.03806	0.9
161.02429	0.9
161.04759	0.7
161.06061	3.8
164.04787	17.6
165.05548	68.2
166.05862	1.6
173.04465	1.4
179.07117	25.6
180.04262	4.2
181.01276	0.7
191.05620	4.5
195.06604	73.1
196.06898	1.7
199.09712	1.8
209.04417	1.4
280.07248	1.7
283.09619	2.0
297.07782	1.2
312.10019	20.4
313.10294	1.8
327.12332	100.0
328.12735	6.7
337.08926	1.0
375.14444	45.3
376.14694	3.0
430.42883	0.9
473.64185	0.9
493.23016	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84903	0.6
68.63840	0.5
69.58989	3.8
70.95113	0.7
72.40208	0.5
78.95898	55.9
80.91693	0.8
86.25947	0.5
96.96957	12.5
98.20693	0.7
124.64181	0.6
137.86806	0.6
150.98026	0.7
152.99577	82.7
153.99899	1.6
171.00638	1.9
195.24687	0.5
199.50980	0.6
223.00125	8.7
241.01170	21.1
259.02200	1.9
279.23257	52.9
280.23602	2.8
306.81241	0.5
315.04831	13.3
333.05823	1.4
354.45670	0.5
422.30331	0.7
495.19199	0.7
542.32715	0.6
595.28815	100.0
596.29218	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	595.2786
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01373	0.8
61.98816	0.4
63.96226	0.7
69.03460	0.6
70.63621	1.0
71.01377	6.0
73.02946	1.7
78.98586	4.6
79.95731	8.1
79.96181	0.5
80.96510	48.7
81.03431	0.5
83.01371	0.4
83.74360	0.3
85.02491	0.4
85.02925	1.8
87.00860	2.3
93.03485	0.3
94.98079	12.8
96.96023	1.2
97.02934	1.2
99.00879	0.4
101.02435	2.6
106.74377	0.3
106.98080	2.3
113.02451	0.4
120.99740	0.3
122.97567	4.8
125.02443	2.4
127.03993	0.6
134.97581	3.2
136.99104	1.1
143.59006	0.3
146.97656	0.5
148.99152	4.7
152.98624	6.4
164.98605	9.1
173.04506	0.4
182.99672	2.5
195.13898	1.0
206.99728	2.9
225.00703	16.7
243.01723	2.2
265.14688	0.4
270.88513	0.3
277.21707	0.5
278.53094	0.3
295.22806	1.6
299.04373	2.8
423.14990	0.4
502.95844	0.4
595.27844	100.0
596.28094	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
52.08563	0.8
53.77145	0.6
59.01405	0.7
63.32018	0.7
63.41769	0.7
65.00342	1.5
68.99817	1.2
69.32466	4.8
69.32879	1.3
71.01366	1.1
77.31527	0.6
79.01900	1.4
81.03446	2.4
83.01376	4.8
85.02959	0.8
93.03455	6.7
95.01398	1.8
96.96058	1.0
97.02946	5.2
99.00878	0.6
101.02484	0.8
107.01380	6.2
107.05028	1.4
108.67270	0.7
109.02949	2.8
111.00871	0.7
111.04477	2.0
113.02499	1.2
117.03449	1.2
119.05017	39.4
120.05344	0.7
120.73510	0.7
121.02945	3.7
123.00893	2.2
123.04513	3.3
125.02441	7.6
133.03015	1.9
135.04538	2.6
135.05898	0.8
136.01642	1.1
137.02417	5.3
139.03995	6.2
143.05043	5.0
145.02931	7.4
147.04535	2.9
149.02417	4.6
149.06099	1.0
150.03210	1.9
151.00366	4.8
151.04015	1.8
155.03575	1.0
157.06625	1.1
161.06105	3.0
163.00345	2.5
163.03984	4.7
163.16170	0.8
164.04614	0.7
165.01936	6.3
165.05612	1.1
167.03477	11.0
173.05997	1.1
175.03967	1.0
177.01920	5.2
177.05522	1.0
179.03456	2.3
185.02362	1.3
185.06096	0.9
187.03998	7.4
190.02640	1.1
191.03497	3.8
191.05603	2.3
192.00659	1.1
193.01408	9.2
193.04997	1.3
197.04576	4.0
199.07602	2.4
203.03511	1.3
205.01398	6.5
205.05072	1.1
206.02042	1.4
207.02946	3.8
209.04572	4.6
217.01442	1.2
219.03038	4.2
221.04486	1.9
223.02495	1.4
223.07593	1.0
227.07266	3.5
233.04538	1.9
235.02478	14.4
237.09157	0.8
239.05580	3.3
241.08641	1.1
243.06621	0.9
245.08263	1.0
247.02429	2.1
249.04051	2.3
261.03940	1.6
265.03497	4.9
265.08551	1.4
267.06543	0.8
271.06186	4.7
271.17398	0.9
283.06046	2.2
283.09415	0.9
285.07477	0.8
295.05029	0.9
297.07751	0.8
311.08795	0.9
313.07132	18.2
314.07730	1.4
325.07135	8.3
326.07709	1.0
327.08719	1.3
343.08273	7.3
353.06793	1.4
355.08197	83.5
356.08466	6.3
367.08170	4.1
369.09796	1.1
379.08264	1.0
385.09256	63.5
386.09650	4.8
397.09262	3.2
415.10318	17.3
416.10870	1.7
427.10022	1.3
445.11353	1.0
457.11383	7.3
475.12363	34.4
476.12796	2.6
487.12112	4.1
499.22610	1.0
505.13477	7.8
506.13736	1.0
547.51599	0.8
577.15668	4.0
595.16669	100.0
596.17078	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	595.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27456	0.3
53.84504	0.3
58.78531	0.3
59.01370	1.2
61.98812	0.4
65.00329	0.8
69.67042	2.1
71.01375	1.1
83.01386	0.5
85.02948	0.6
93.03468	0.6
96.96000	3.6
100.55868	0.3
101.02444	0.5
107.01394	1.4
108.02189	1.0
109.02988	0.5
121.02946	0.8
147.04471	0.5
147.55299	0.4
148.01651	1.0
151.00366	5.7
152.00821	0.4
154.75687	0.4
160.01604	0.5
163.00359	1.5
164.01125	0.7
173.04579	0.8
174.83984	0.4
175.02338	0.4
175.03903	0.7
178.99861	3.5
191.05629	2.0
199.04036	0.6
201.01796	0.4
211.03894	0.5
215.03346	0.4
216.04236	0.6
226.02699	1.3
227.03539	2.2
243.02939	10.0
244.03276	0.7
254.02110	2.2
255.02953	24.2
256.03336	1.3
271.02444	54.3
272.02936	4.0
273.04062	0.4
299.01886	1.9
300.02716	100.0
301.03326	14.4
343.04504	0.6
373.13007	0.9
399.12915	0.7
433.07443	0.5
438.73944	0.4
463.08594	0.8
507.98724	0.4
539.76947	0.4
540.46368	0.4
595.12964	81.4
596.13318	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	595.1301
Annotation	Peltatoside
Peak:m/z	Relative Intensity
51.93912	0.4
59.01375	2.4
61.98819	0.5
63.02395	0.4
65.00307	0.8
69.41394	2.3
69.41807	0.8
71.01370	1.2
73.02951	0.6
77.77251	0.4
78.95872	0.4
83.01385	0.7
85.02964	1.0
88.52572	0.4
89.02433	0.6
93.03473	1.0
96.96004	9.6
101.02412	1.1
107.01401	1.6
108.02168	1.6
113.02469	0.5
121.02947	1.2
130.08717	0.4
135.00882	0.8
148.01669	1.3
150.03174	0.8
151.00366	6.1
160.01678	1.1
163.00359	1.0
164.01178	0.6
165.05511	0.7
173.04535	1.3
175.03978	1.5
178.99831	3.3
179.05637	0.4
183.04596	0.5
188.42375	0.4
191.05579	4.4
199.03963	0.5
215.03441	0.7
216.04025	0.7
226.02689	1.7
227.03490	2.6
239.17578	0.3
243.02922	10.3
244.03444	1.0
254.02104	1.9
255.02963	25.0
256.03336	1.3
271.02444	52.8
272.02936	3.4
273.03842	0.6
283.02414	0.5
299.01907	1.7
300.02719	100.0
301.03308	12.2
313.10663	0.7
341.10159	0.6
373.12808	1.6
399.12955	1.7
463.08667	1.6
535.31384	0.6
592.65936	0.4
595.12976	81.7
596.13184	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	594.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92253	1.2
57.99608	1.3
59.01098	1.5
59.01375	27.4
61.98517	1.5
61.98828	17.8
69.03469	2.1
71.01363	5.3
71.63447	1.6
78.95892	16.5
78.98572	3.0
79.95731	8.4
80.96513	33.3
82.69846	1.2
82.96104	3.3
83.05007	1.8
85.02930	2.1
87.00851	1.7
92.96248	1.3
93.03465	10.0
94.98057	7.4
96.95999	3.9
101.02405	3.3
106.98032	1.5
113.09698	1.7
122.97586	4.0
134.97536	2.9
135.04581	1.5
137.02435	1.5
148.99161	2.7
152.98572	2.9
152.99600	3.3
164.98624	5.6
168.04320	2.2
171.10266	28.9
173.04568	10.1
182.99596	1.4
191.05600	2.3
195.13930	2.0
225.00653	7.6
226.01057	2.7
242.07950	5.0
251.22452	1.4
277.21680	38.1
278.22095	2.1
284.03482	1.4
285.03558	1.4
289.34949	1.5
293.21310	2.7
294.21744	3.2
295.22736	77.9
296.23056	4.7
397.28836	2.6
449.23340	3.1
458.06946	1.5
477.67294	1.5
520.30359	100.0
521.30670	8.5
577.22949	4.1
594.26501	55.3
595.27429	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	594.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87295	0.4
57.03439	0.8
59.01376	20.4
61.97799	0.4
61.98819	1.1
66.91805	0.4
70.14445	0.3
70.67034	0.5
70.67357	0.8
71.01366	1.0
74.74121	0.4
78.95896	8.4
78.96350	0.4
78.98568	0.5
79.95735	2.0
80.96510	8.3
82.96100	0.9
84.79333	0.4
85.02938	0.4
85.06636	0.4
87.00863	0.5
93.03426	0.5
94.98072	1.7
96.96929	0.5
113.09737	2.9
122.97489	0.4
127.03986	0.4
134.97513	0.5
146.23302	0.5
148.99155	0.5
152.98515	0.8
152.99573	2.5
156.76524	0.4
164.98608	1.3
168.04317	1.8
173.04561	1.0
179.14392	0.9
195.13878	22.7
196.14276	0.9
206.99638	0.7
222.93919	0.4
224.06905	1.7
225.00734	1.7
226.01071	0.7
242.07980	4.9
251.23891	0.5
277.21683	18.8
278.22070	1.4
295.22745	100.0
296.23096	6.5
367.87570	0.5
449.23108	2.3
520.30389	87.5
521.30688	8.6
561.61273	0.5
594.26642	15.0
595.25897	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	593.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12777	0.8
55.01879	1.2
57.03444	1.9
58.78262	0.8
59.01373	100.0
61.98825	5.2
69.03441	1.8
70.52473	2.1
71.01382	15.5
72.99313	2.0
73.02950	6.9
73.08826	1.1
78.95882	7.4
80.28488	1.0
83.01383	4.2
85.02945	10.3
87.00877	2.6
89.02425	2.2
93.03474	5.5
95.01395	2.5
96.95974	2.5
96.96975	1.2
97.02967	1.9
99.00885	2.5
101.02442	12.0
109.02959	1.0
111.00922	1.4
111.26648	1.0
113.02426	8.8
116.29722	0.8
125.02431	1.9
129.01952	1.1
131.35918	0.9
134.03693	1.0
135.04507	1.2
137.02435	2.0
143.03499	1.9
149.56909	0.8
152.99477	0.9
154.04156	0.9
161.04497	2.8
171.00642	1.7
171.13844	1.6
173.04556	9.1
185.15527	0.9
191.05588	10.4
227.03430	1.9
255.02936	2.0
271.03308	0.9
279.22989	1.0
284.03220	2.0
285.03806	1.2
299.25815	4.2
343.87915	1.2
345.30084	8.9
366.29373	0.9
457.46371	1.1
474.80997	1.1
489.34268	73.9
490.34689	7.0
507.35382	26.1
508.35770	2.0
533.33136	1.3
549.36780	4.9
593.14856	2.3
593.23724	1.5
594.30426	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	593.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62753	1.0
57.03447	3.4
59.01375	100.0
61.98814	7.1
67.01867	2.2
69.38098	9.3
69.88041	1.1
71.01376	17.9
73.02931	5.5
75.83216	1.1
78.86391	1.1
78.95898	13.6
82.95408	3.5
83.01378	3.9
83.05036	1.0
85.02943	13.4
87.00853	2.6
89.02430	3.6
93.03457	14.0
95.01380	1.4
95.81303	1.0
96.96016	3.1
96.96963	1.6
98.20588	2.0
99.00875	2.6
101.02436	10.9
109.02951	1.3
110.65254	1.1
111.00858	1.2
111.04512	3.1
113.02452	12.1
119.03455	1.6
127.03973	1.3
133.02940	1.3
135.04514	11.2
136.04842	1.9
137.02461	2.7
139.11302	2.0
152.99550	3.6
155.03522	1.9
159.51154	1.0
161.02473	1.9
161.04561	2.0
171.00615	2.3
173.04520	38.4
173.06013	2.2
174.04836	2.4
179.03485	9.2
180.03876	1.2
181.12387	1.2
183.10271	2.5
186.35971	1.1
187.09453	1.1
191.05592	15.2
243.12215	8.1
255.02785	2.4
255.71667	1.1
280.08255	1.2
284.03238	3.1
285.03940	2.7
288.45273	1.3
333.40991	1.2
345.29990	4.6
364.96704	1.2
401.78946	1.1
413.18091	1.3
417.17621	25.4
418.17889	1.8
473.18539	2.1
489.34326	64.5
490.34598	4.9
507.28397	2.0
507.35309	20.7
508.35727	2.2
533.20770	2.6
533.28638	1.2
549.29028	3.4
549.37158	5.2
593.14929	3.8
593.22217	3.6
593.30920	1.9
594.30554	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
57.03452	1.7
59.01379	63.1
61.81273	1.1
61.98838	1.1
70.95683	2.1
71.01381	24.8
72.99290	2.5
73.02953	13.6
79.82438	1.1
83.01390	4.5
85.02945	12.9
87.00881	2.5
87.64488	1.1
89.02442	6.3
90.43657	1.0
93.03463	4.7
95.01380	2.6
96.95993	2.5
97.02950	1.6
99.00880	6.8
101.02444	22.7
109.02963	6.0
111.00877	1.3
111.04513	1.4
113.02454	12.0
121.03033	1.3
125.02443	3.4
131.03490	1.8
135.04500	2.2
137.02480	1.7
143.03502	1.1
151.00337	3.9
153.01927	1.2
159.02942	2.4
161.04546	7.7
173.04504	7.8
177.01877	2.1
178.99837	3.6
181.01471	2.1
191.05603	16.0
192.04338	1.5
227.03587	1.8
241.54362	1.2
255.02968	4.8
269.13849	1.5
284.03259	5.0
284.30606	1.2
285.03970	4.1
294.08771	1.3
309.20581	1.2
357.22983	2.2
375.23877	7.8
394.41501	1.1
437.82336	1.2
477.28354	1.4
489.26859	3.0
493.28983	1.2
507.28024	18.8
508.28134	1.9
549.29144	100.0
550.29401	10.9
575.17700	2.1
593.15277	7.0
593.23755	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	593.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70357	0.7
55.74568	0.7
56.95504	0.7
57.03431	1.1
58.00590	2.0
59.01376	100.0
68.73042	0.9
69.26217	3.3
69.26637	4.2
71.01380	49.4
72.99291	3.3
73.02937	3.1
75.00865	2.4
83.01392	1.7
85.02946	8.3
87.00854	3.7
89.02440	72.2
93.03426	1.3
95.01377	2.9
96.96008	3.9
98.19839	2.0
99.00894	4.8
101.02435	25.3
113.02445	22.1
118.75804	0.8
119.03487	25.6
131.03519	5.1
135.04535	0.9
143.03529	8.8
147.65047	1.0
149.04517	3.7
161.04539	11.4
165.09206	0.8
173.04459	2.2
179.05598	35.6
179.07178	1.9
180.05856	0.9
191.05592	6.2
193.04973	0.9
205.12396	0.9
267.42496	0.9
271.02328	1.1
283.02457	1.4
285.03885	2.4
286.26367	0.9
306.80838	0.8
374.09128	1.0
462.82642	0.9
482.88522	0.9
517.22821	8.6
518.23285	1.2
520.10529	0.9
533.25824	3.2
593.14801	3.3
593.25427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01343	1.7
60.92140	0.8
61.98825	1.2
69.53011	4.4
71.01371	1.1
78.95896	61.0
80.96481	1.1
86.77235	0.8
87.00878	0.8
96.96954	14.5
98.20587	1.6
112.03061	0.7
150.97958	0.9
152.99571	53.9
209.11716	0.9
223.00063	2.3
229.35036	0.8
229.58534	0.7
241.01151	25.5
259.02219	1.5
277.21683	45.6
278.22018	2.7
281.77206	0.7
315.04861	7.9
413.20905	4.0
431.22043	1.0
441.27646	0.7
593.27222	100.0
594.27582	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	593.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
60.29329	0.5
64.51445	0.5
69.30209	1.2
69.30618	3.5
78.95895	59.2
88.40326	0.6
94.39590	0.6
96.96940	10.4
126.12078	0.7
150.97952	0.9
152.99571	81.2
153.99898	1.7
171.00618	2.7
174.85977	0.6
175.86179	0.5
223.00092	9.9
241.01160	23.9
259.02151	1.6
277.21689	38.0
278.22000	2.8
315.04822	13.6
316.05002	0.8
333.05615	0.8
391.37195	0.6
593.27234	100.0
594.27637	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	593.2632
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
55.81205	0.3
57.46791	0.3
59.01374	2.1
61.98824	7.9
63.96246	0.8
65.52623	0.3
69.03444	0.4
70.48316	0.9
70.50002	0.2
71.01377	6.6
72.99314	0.5
73.02946	1.6
78.95897	0.6
78.98586	4.4
79.95726	9.0
80.96510	59.3
81.03454	0.7
82.96103	1.7
85.02950	3.2
87.00871	2.4
94.98079	13.9
96.95998	1.0
96.97643	0.3
97.02927	1.6
99.00866	0.4
99.04520	0.4
101.02441	3.1
106.98083	2.5
113.02443	0.6
121.02953	6.4
122.97571	5.2
125.02438	3.1
127.04020	1.2
134.97569	3.7
136.99095	1.1
148.99117	6.1
151.00386	0.4
152.98619	7.2
161.04543	0.3
164.98610	10.2
165.01913	0.4
166.98135	0.4
167.00098	0.3
182.99638	2.4
191.05547	0.5
199.89438	0.3
206.99683	3.5
209.04515	4.5
225.00717	17.2
226.01076	0.3
231.26381	0.3
235.17007	0.4
243.01711	1.8
275.20096	0.4
284.03348	0.5
293.21014	1.0
294.21558	0.4
299.04398	2.6
328.60651	0.5
519.28870	0.5
593.26221	100.0
594.26526	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	593.2631
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
58.75109	0.4
59.01378	0.6
61.98811	0.9
63.96235	0.6
69.03446	0.5
70.67745	0.8
71.01378	6.4
72.75718	0.4
73.02946	1.3
78.98576	3.8
79.95731	32.9
80.96510	53.7
81.03434	0.8
82.96062	0.6
85.02956	2.4
86.78417	0.5
87.00864	2.0
94.98080	12.7
96.95996	1.1
97.02929	1.6
101.02435	2.1
101.03049	0.4
106.98062	2.7
122.97596	4.1
125.02449	3.1
127.03986	0.9
134.97559	3.5
135.25803	0.4
136.99150	1.2
148.99117	5.5
149.99361	0.4
152.98622	6.2
161.04465	0.7
164.98611	11.0
167.00240	0.6
179.00140	0.7
182.99713	1.9
195.13875	0.5
206.99664	3.4
223.13452	0.5
225.00713	18.1
241.00211	1.2
243.01717	2.2
293.21201	0.7
299.04370	4.2
315.03711	0.7
371.06451	1.4
385.08099	1.4
399.09525	1.6
413.11340	1.4
441.14157	1.1
455.15598	2.3
495.18686	2.2
523.18494	1.0
524.19086	0.7
593.26300	100.0
594.26587	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	593.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11130	0.4
55.79625	0.3
57.03449	0.4
58.91026	0.4
59.01372	3.0
61.98822	6.6
63.96241	0.9
69.03429	0.4
69.67792	0.4
71.01377	5.2
71.62907	0.4
72.99281	0.4
73.02944	1.5
74.76134	0.3
78.95901	1.1
78.98588	4.5
79.95729	9.8
80.96511	50.3
81.03463	0.7
84.74303	0.4
85.02940	2.4
87.00874	2.5
94.98083	13.5
96.96008	1.1
97.02939	1.1
99.00883	0.6
101.02415	2.4
106.98093	2.3
113.02415	0.6
113.42078	0.3
121.10160	0.4
122.97577	4.7
125.02434	2.2
127.04009	0.7
134.97586	4.0
135.39792	0.4
136.99136	1.2
138.64500	0.3
148.99133	4.4
152.98625	5.9
152.99763	0.3
164.98604	9.6
167.00195	0.5
171.10223	1.3
182.99709	2.0
185.11563	0.3
188.98596	0.5
191.05550	0.4
195.13884	2.2
206.99657	3.1
225.00723	17.7
226.00894	0.5
242.07965	0.5
242.17528	0.4
243.01804	1.7
266.12561	0.4
275.20193	0.9
277.21710	2.3
295.22769	11.7
299.04358	3.0
306.58987	0.4
371.06271	0.4
441.13766	0.4
520.30377	9.7
593.26306	100.0
594.26654	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	593.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01377	14.1
60.99300	0.9
61.98820	1.2
65.55602	0.6
67.01888	4.2
69.03454	1.3
69.40726	0.6
69.65685	1.2
69.66092	3.2
71.01380	6.2
72.99300	0.7
73.02949	1.7
73.09381	0.5
73.40656	0.5
83.05011	0.7
85.02921	3.2
87.00874	1.3
88.98788	0.5
89.02446	0.8
93.03450	29.5
96.96017	2.4
99.00858	1.2
99.04518	0.6
101.02443	1.4
106.09748	0.5
109.02981	1.3
111.00894	0.9
111.04523	5.7
113.02420	0.9
127.03976	0.7
134.03719	1.4
135.04558	0.6
137.02422	8.9
139.11287	8.1
155.03468	6.7
160.01619	0.7
167.81902	0.7
173.04529	100.0
174.04881	2.5
175.04015	0.9
181.12305	5.8
183.10240	10.5
191.05595	12.7
195.14041	0.6
199.13371	4.4
209.16875	0.6
211.66412	0.6
225.11325	2.8
227.03421	1.1
242.02257	0.8
243.12331	32.2
244.12675	1.8
255.02927	1.7
284.03320	2.0
308.23444	0.6
349.09341	1.3
399.16534	1.3
417.17606	95.2
418.18060	6.1
446.11682	0.6
460.99796	0.6
549.25024	2.8
593.23212	7.1
593.32031	0.8
593.35858	0.7
594.22931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34649	0.2
59.01374	3.1
70.33812	0.8
71.01358	1.3
72.99325	0.2
73.02947	0.5
78.95895	2.7
79.95734	3.1
83.01349	0.3
85.02956	0.5
87.00892	0.2
89.02453	0.7
93.03450	0.8
95.57328	0.2
96.96005	100.0
96.96887	3.6
97.95937	0.2
101.02430	0.8
107.01379	0.5
109.02916	0.3
113.02444	0.7
119.03508	0.2
121.02934	0.8
135.04492	0.4
137.02425	0.3
145.02956	0.3
147.04497	0.6
151.00362	0.7
163.03996	1.0
165.01840	0.3
173.04590	1.2
174.03227	0.8
175.03955	3.5
176.04729	0.5
177.05504	0.5
179.03447	0.3
180.04257	2.0
188.04779	0.6
189.05536	1.6
190.06322	4.2
191.05577	2.2
191.07147	2.9
193.05009	1.9
194.05864	1.2
195.06578	0.4
203.07060	0.5
205.08682	4.1
207.06573	1.0
208.07373	3.5
222.09030	0.3
223.09590	0.2
227.03497	3.2
229.05029	0.6
255.02962	5.6
256.03683	0.4
257.04562	0.5
284.03244	7.5
285.03946	5.3
300.02768	0.2
321.08231	0.2
324.27905	0.2
344.12628	0.6
355.44601	0.2
359.14960	24.6
360.15298	1.9
378.41476	0.2
389.16162	0.5
447.26154	0.3
490.62772	0.2
500.47784	0.2
549.29108	1.9
593.15125	9.3
593.24512	0.8
594.15784	1.0
594.34570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1507
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
58.93699	0.3
59.01371	2.4
59.76869	0.3
61.10018	0.2
61.92850	0.3
63.02404	0.4
65.00346	0.4
71.01031	0.2
71.01381	1.5
71.62118	0.4
73.02946	0.5
75.16543	0.3
83.01393	0.5
85.02927	0.4
88.30972	0.3
88.80779	0.3
89.02451	0.8
93.03468	1.2
95.01378	0.3
96.96014	0.7
99.00825	0.5
101.02446	0.9
107.01411	0.8
107.91924	0.3
109.02947	0.4
113.02431	0.4
117.03457	0.4
121.03008	0.4
135.00853	0.4
137.02481	0.4
147.65707	0.3
151.00349	1.7
154.04265	0.4
155.05020	0.4
159.04492	0.6
161.02354	0.4
163.00343	0.3
169.06554	0.9
171.04605	0.5
173.02406	0.5
173.04546	0.7
178.99710	0.5
182.03740	0.3
183.04465	2.0
185.06042	0.9
187.03958	0.7
189.05658	0.5
191.05559	1.7
199.03946	0.4
211.03957	1.6
213.05486	0.6
214.02563	0.5
227.03456	5.4
229.05066	0.9
239.03461	0.6
243.03035	0.5
255.02956	30.7
256.03329	2.0
257.04446	0.8
269.04617	0.7
281.04642	0.5
283.02457	50.6
283.98373	0.3
284.03146	11.7
285.04010	100.0
286.04373	5.5
297.04013	0.9
327.05057	3.6
343.08127	0.3
351.04956	0.3
431.09808	8.3
432.10095	0.9
446.08508	10.3
447.09268	18.3
448.09637	1.4
473.11093	0.6
512.10388	0.7
512.60742	0.3
520.10583	0.5
520.60834	0.3
533.25690	0.3
593.14996	40.9
593.63696	0.5
594.15314	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	593.1506
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01358	0.3
63.02402	0.4
65.00324	0.7
66.35117	0.2
69.50203	1.5
69.79086	0.2
75.50148	0.2
83.01391	0.5
93.03455	0.6
98.19860	0.4
101.39864	0.3
107.01357	1.6
109.02924	0.4
117.03460	0.3
129.90373	0.2
131.05049	0.2
132.02173	0.9
135.00897	1.3
137.02390	0.3
143.04977	0.6
151.00362	3.5
153.01933	0.3
155.04965	0.2
157.06555	0.4
159.04489	0.4
159.32831	0.2
163.00366	1.6
164.01115	0.5
167.04980	0.2
169.06468	0.5
171.04517	0.5
173.06029	0.4
178.29503	0.2
178.99799	0.4
183.04453	0.5
185.02367	0.3
185.06071	0.9
187.03935	1.1
195.04492	0.3
198.03236	0.3
199.03996	0.5
200.04709	0.4
201.05554	0.3
211.03992	2.1
213.05513	0.6
227.03471	32.5
228.03859	1.7
229.05032	4.5
230.05267	0.3
239.03494	1.2
240.04198	0.4
241.04993	0.7
255.02956	61.0
256.03546	6.3
257.04498	3.0
267.02798	0.3
283.02518	0.6
284.03226	76.5
285.03955	27.9
286.04312	1.7
327.04935	1.1
565.26019	0.3
593.15033	100.0
594.15369	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05974	0.4
63.02394	0.7
65.00323	0.5
66.66286	0.3
69.54403	1.2
69.54834	1.3
91.01922	0.4
91.70413	0.4
93.03471	1.0
96.96013	0.4
99.75004	0.4
105.80687	0.3
107.01401	2.1
109.02969	0.4
111.32214	0.3
117.03476	0.4
132.02220	0.9
135.00850	1.5
143.05020	0.8
145.02956	0.4
151.00354	3.1
153.01915	0.5
157.06554	0.4
159.04501	1.1
163.00439	2.0
165.01791	0.4
167.05032	0.6
169.06520	1.0
171.04515	0.5
178.99890	0.4
183.04475	0.6
184.05206	0.5
185.06113	1.9
187.03963	2.7
189.05612	0.9
195.04552	0.6
196.05362	0.5
197.06042	0.7
199.03954	0.8
201.05495	0.7
211.03946	2.3
212.04640	0.5
213.05573	1.6
217.04942	0.4
227.03477	28.3
228.03880	1.0
229.05037	9.3
230.05386	0.6
239.03473	1.4
240.04283	0.7
241.05125	1.7
242.70198	0.4
243.02905	0.4
255.02956	51.0
256.03525	6.1
257.04495	6.0
257.97095	0.4
267.02896	0.7
283.02283	0.5
284.03229	59.5
285.04004	81.5
286.04300	4.2
327.04974	1.3
342.62494	0.4
357.06299	0.4
593.15033	100.0
594.15350	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	592.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.4
59.01089	1.0
59.01376	18.1
59.16935	0.6
61.98515	0.8
61.98827	11.7
63.77783	0.5
65.00335	0.6
67.69041	0.5
71.01370	2.2
71.33871	0.9
78.95901	9.6
78.98600	0.7
79.95743	2.1
80.96512	10.6
94.98077	2.0
97.02940	0.5
97.06570	1.2
97.85115	0.5
101.02442	1.0
111.08158	0.9
113.09722	17.9
121.10266	0.6
122.97581	1.2
125.02392	0.7
127.11317	0.8
139.11310	1.0
148.99112	0.5
149.09709	0.9
151.00391	1.5
152.00957	0.5
152.99594	2.4
164.98619	1.9
167.10771	2.6
168.04250	2.1
171.10226	1.3
177.12820	3.1
178.99840	1.5
179.10764	2.5
195.13879	2.4
224.06894	1.7
225.00728	3.2
242.07932	4.1
249.22203	1.9
275.20132	3.0
293.21201	100.0
294.21530	6.0
307.22766	15.6
308.23077	1.3
328.10446	1.3
394.44589	0.6
446.15176	1.2
447.21182	0.6
473.22876	0.6
518.28796	50.7
519.29016	5.3
532.30359	10.0
533.30951	1.2
592.25073	7.2
593.26208	15.3
593.35583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00627	0.3
59.01374	23.3
61.98822	1.2
71.01383	0.9
78.95896	12.0
79.95709	0.3
80.96500	2.3
93.03460	0.4
94.98081	0.6
95.51025	0.4
96.95966	0.3
96.96935	0.5
107.25838	0.3
111.08165	0.4
113.09685	0.9
122.98554	0.5
139.11179	0.4
152.98477	0.5
152.99565	4.5
161.04272	0.4
164.98483	0.4
168.04277	3.3
179.14403	1.2
195.13875	13.3
196.14558	1.6
205.12291	1.4
205.16037	0.6
211.13364	1.4
223.13359	9.6
224.06911	1.8
225.00700	0.9
228.13596	1.2
231.21175	0.7
242.07962	5.6
256.13089	1.5
265.21698	0.8
275.20132	6.1
293.21194	93.3
294.21542	5.1
307.22769	1.2
369.17651	0.4
447.21512	3.4
449.21677	0.4
518.28809	100.0
519.29114	8.6
532.30261	0.9
533.24908	0.7
593.26208	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	592.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70040	0.2
59.01366	0.3
61.98824	100.0
69.96119	0.4
69.96513	0.5
71.01375	0.9
73.02945	0.2
78.98607	0.4
79.95740	1.5
80.96507	6.6
82.96084	0.3
84.25829	0.2
85.02972	0.3
87.00882	0.4
89.65372	0.2
94.98077	1.6
96.95936	0.2
97.02981	0.2
101.02444	0.3
106.98071	0.3
122.97598	0.6
125.02456	0.4
134.97566	0.4
148.99171	0.6
152.98625	0.8
164.98605	1.0
173.04562	0.2
206.99808	0.3
225.00648	1.8
225.02263	0.2
243.01814	0.3
293.21054	0.2
297.86029	0.2
299.04333	0.2
395.28046	0.6
592.25006	4.3
593.26306	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	592.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77653	0.2
54.87954	0.2
57.03436	0.5
59.01373	24.1
61.98824	1.7
69.03438	0.3
69.81303	0.2
71.01384	1.1
71.22917	0.4
78.95897	12.7
78.98593	0.4
79.95735	1.4
80.96507	5.9
83.05009	0.3
85.02959	0.5
93.03448	0.6
94.98089	1.4
95.05013	0.3
96.95998	0.3
96.96934	0.4
97.06570	0.4
101.02426	0.5
111.08100	0.5
113.09714	0.4
122.97579	0.5
122.98491	0.3
125.02462	0.4
131.52017	0.3
141.09215	0.3
148.99107	0.5
152.98560	0.5
152.99602	4.3
164.98604	1.0
167.10776	0.6
168.04282	3.5
171.00662	0.4
173.04504	0.7
177.12822	0.4
179.10858	0.3
179.14342	1.4
181.12291	0.3
183.10217	0.7
183.13783	0.3
191.05568	0.8
195.13875	11.9
196.14571	1.0
205.12395	1.2
205.15929	0.7
211.13377	1.1
223.13367	9.2
223.15572	0.4
224.06876	2.4
224.13878	0.4
225.00722	1.8
228.13605	1.1
231.21048	0.7
242.07956	4.6
243.01921	0.3
249.22037	0.3
256.13120	1.4
265.21640	0.6
275.20129	6.1
276.20526	0.6
284.03250	0.3
293.21188	91.6
294.21515	5.8
299.04611	0.3
307.22766	0.9
310.30692	0.3
373.05606	0.3
447.21445	3.0
448.21603	0.5
449.22000	0.4
500.28949	0.2
518.28809	100.0
519.29114	9.6
532.30200	0.9
592.24884	0.6
593.26294	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	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03439	2.8
59.01376	100.0
61.20069	1.0
61.98827	40.5
70.05980	4.7
71.01377	18.0
72.14204	1.0
73.02944	6.6
74.60257	0.9
75.01859	1.0
78.95910	5.2
83.01398	3.8
83.35202	1.0
85.02951	10.2
87.00864	1.5
89.02443	2.9
93.03453	2.6
95.01379	2.3
96.35476	1.1
96.96004	2.6
99.00861	2.8
101.02444	11.4
106.78217	1.0
111.00891	1.5
113.02446	9.8
116.92864	1.4
119.03512	1.3
129.01964	1.2
130.17096	1.0
135.11787	2.1
143.03529	1.5
152.99625	2.0
153.09171	2.7
161.02451	1.3
161.04489	1.9
161.09695	2.7
171.10339	2.0
173.04509	3.8
179.10776	6.8
191.05608	11.3
205.12279	2.3
209.11758	2.0
230.63988	1.1
279.23361	2.4
295.26083	1.1
297.24387	1.6
343.28537	3.0
385.18607	1.5
399.14352	4.3
487.32739	50.6
488.32932	5.8
505.33893	23.0
506.34042	2.4
547.30945	15.9
549.32947	1.1
591.19855	1.1
591.26813	6.0
591.35718	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	591.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28090	1.6
59.01376	100.0
61.98819	7.3
71.01376	24.8
71.63284	1.5
73.02944	8.5
78.95900	3.5
82.95402	2.4
83.01389	3.7
83.04990	2.1
85.02928	13.1
87.00872	4.1
89.02444	5.8
93.03451	4.7
95.01381	2.3
96.96001	6.9
97.02929	2.1
99.00870	4.4
99.73750	1.5
101.02449	14.7
111.04492	1.8
113.02430	12.2
119.03482	2.0
135.04520	16.8
137.02513	2.4
151.00291	1.7
152.99597	2.8
161.02444	1.7
161.04541	5.1
171.10251	2.4
173.04575	13.5
179.03482	3.5
191.05620	19.5
209.11627	2.2
343.28394	4.4
487.32730	59.3
488.32956	5.4
505.33929	24.6
547.34442	6.8
591.33051	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	591.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.6
59.01376	52.9
60.99301	1.5
61.98825	2.1
67.01894	5.7
69.03447	1.8
69.95776	5.2
71.01376	27.8
71.05033	1.4
72.99284	1.6
73.02937	13.1
78.95882	3.8
81.03454	1.4
83.01386	5.1
83.05024	2.8
85.02945	10.8
87.00867	5.1
88.98792	4.8
89.02438	15.7
93.03452	40.7
94.98072	1.7
95.01370	2.0
96.95994	9.2
96.96971	1.7
97.02921	1.5
98.20539	1.3
99.00879	2.3
101.02433	16.9
107.05013	1.7
109.02959	2.1
111.00842	1.6
111.04527	7.5
113.02441	11.0
115.04047	1.2
119.03482	5.5
125.02463	1.2
131.03441	1.1
135.04488	3.6
137.02444	10.0
143.03516	1.8
151.00351	2.0
152.99554	2.8
155.03491	8.5
161.04510	4.5
161.09636	3.5
161.13336	1.9
163.11288	2.3
165.01797	1.1
171.10258	5.1
173.04530	100.0
174.04893	2.4
179.03459	3.3
179.05588	5.4
187.11275	6.9
189.09178	4.5
191.05591	10.2
205.12279	4.6
207.10278	1.9
223.13350	8.1
225.11307	1.5
241.01050	2.6
249.11292	3.3
255.02972	3.3
255.15958	5.1
267.12366	5.3
284.03281	4.2
285.04099	2.1
301.03638	1.3
325.20132	2.3
335.09796	2.6
339.14203	1.5
341.10825	3.7
369.15506	7.4
417.15671	2.5
417.21280	44.4
418.21457	3.0
429.17554	15.6
430.18088	1.4
447.09409	5.9
487.15927	4.6
501.20065	5.6
505.26385	3.0
532.31171	1.7
547.27502	28.7
548.28070	2.0
573.20947	1.9
588.49365	1.3
591.26941	65.7
592.25806	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	591.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22858	0.2
55.01869	1.6
57.03441	2.4
58.00590	2.0
59.01373	100.0
60.01712	0.6
67.01886	0.4
68.99767	0.2
69.03449	1.0
69.86691	0.8
71.01374	61.7
72.01719	0.6
72.99299	3.1
73.02938	22.5
73.23623	0.2
74.03300	0.3
75.00864	0.6
78.95894	0.7
79.95731	0.4
81.03456	0.6
83.01379	7.5
84.01675	0.2
84.02170	0.3
85.02943	18.7
86.03311	0.2
87.00864	3.8
87.04525	0.2
89.02435	33.9
90.02757	0.4
93.03442	0.4
95.01375	6.6
96.01591	0.2
96.95996	2.1
97.02929	1.3
99.00869	2.8
99.04572	0.3
101.02433	34.7
102.02778	0.5
107.03487	0.3
111.00890	0.5
112.01654	0.5
113.02437	42.1
114.02771	0.6
119.03487	15.1
120.03801	0.2
124.01677	0.7
125.02434	2.2
128.20380	0.2
129.01860	0.3
131.03499	3.0
137.09724	1.8
138.06772	0.2
139.00392	0.3
143.03491	6.5
147.32564	0.2
149.04514	2.2
149.09711	0.4
152.99498	0.4
153.09216	0.7
155.03499	0.6
159.02997	0.9
161.04538	16.2
162.04865	0.4
171.10211	0.5
173.04512	0.3
173.09637	0.2
179.05582	8.8
179.07149	0.5
189.12770	1.2
191.05600	0.9
203.05505	0.3
207.13922	1.1
221.06555	0.4
225.11415	0.4
225.14886	1.2
369.19119	6.2
369.23560	0.4
370.19308	0.3
387.20187	5.0
387.24866	0.4
388.20605	0.4
411.20181	0.7
429.21332	0.6
467.97208	0.2
483.22287	0.4
531.24402	55.1
532.24719	5.3
541.16241	0.5
549.25458	32.8
550.25830	2.8
559.17737	1.2
591.26727	6.6
592.26990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03448	2.4
58.00588	2.3
59.01375	100.0
60.01704	0.3
64.84249	0.3
69.03446	0.6
69.83949	1.4
71.01379	58.3
72.01726	0.6
72.99303	2.9
73.02942	20.7
75.00865	0.7
78.95902	0.9
79.95732	0.9
80.80722	0.2
80.96515	0.9
81.03448	0.5
83.01387	7.3
83.05024	0.2
85.02946	19.7
87.00864	4.4
89.02439	31.7
93.03441	0.5
95.01385	5.9
95.05016	0.3
96.96002	3.4
97.02943	1.2
98.95599	0.3
99.00881	3.3
101.02438	33.3
102.02784	0.4
108.61150	0.3
111.00896	0.6
112.01678	0.7
113.02441	41.1
114.02715	0.6
115.04022	0.3
119.02626	0.7
119.03492	13.4
124.01664	0.9
125.02420	2.4
127.04016	0.3
129.01949	0.4
131.03481	2.5
137.06085	0.4
137.09689	1.9
138.06845	0.4
139.93410	0.2
143.03496	5.6
149.04527	2.3
149.09760	0.6
151.07616	0.3
152.99573	0.4
153.09229	0.5
155.03516	0.7
159.02980	1.1
161.04546	15.3
163.07579	0.3
163.11282	0.3
171.10242	0.8
173.04515	1.1
179.05597	8.4
179.07162	0.5
189.12784	1.4
191.05579	2.2
207.13908	0.8
225.00793	0.4
225.11320	0.6
225.14989	1.0
241.01382	0.3
369.19168	5.8
370.19257	0.4
387.20178	4.7
388.20590	0.3
429.21039	0.5
457.20215	0.3
483.22266	0.3
519.24658	0.5
525.99329	0.3
531.24426	57.0
532.24884	5.0
541.15979	1.3
549.25482	31.0
550.25732	3.0
559.17871	2.3
573.19208	0.3
591.26880	7.2
592.27203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70078	0.4
59.01377	8.4
63.83791	0.5
69.03432	0.5
69.77007	2.5
71.01022	0.5
71.01379	3.1
73.02932	1.6
79.85095	0.4
84.03088	0.4
85.02950	1.3
87.00885	0.7
88.98766	0.7
89.02443	1.3
93.03454	1.5
95.01392	0.5
96.95989	1.5
98.19909	0.8
99.00876	1.3
100.01215	0.4
101.02425	1.8
107.05010	0.6
108.02175	1.0
109.02940	1.6
113.02419	1.3
119.03455	0.4
121.02940	2.1
122.03703	0.8
123.00873	1.5
125.02448	0.9
125.06112	0.4
135.04506	0.8
136.01653	37.7
137.02457	7.1
145.06560	0.6
149.02470	0.7
149.06021	0.6
151.00378	9.3
151.03993	53.8
152.01067	0.8
152.04610	1.3
153.01877	0.7
159.04480	0.9
160.05276	0.9
161.02374	0.4
162.03249	0.7
162.32581	0.4
163.03986	0.5
166.02701	22.5
167.03345	1.3
173.04547	1.4
175.03990	1.2
175.07588	1.1
177.01915	1.5
177.05568	1.1
178.02513	0.4
178.99849	1.8
179.03392	0.8
181.05054	33.6
182.05345	0.9
187.11249	0.9
189.05594	0.4
190.06335	0.9
191.03702	0.6
191.05571	2.4
193.05013	1.0
195.02852	0.6
205.04976	0.7
205.08704	0.4
207.06552	0.6
211.82750	0.4
223.13341	2.8
224.61217	0.4
250.18039	0.4
267.12360	1.0
329.10297	1.8
330.10312	0.4
343.71393	0.5
345.61261	0.5
357.09741	12.8
358.09930	0.6
369.15506	2.1
371.51953	0.5
372.12027	7.8
387.14447	100.0
388.14761	7.8
429.11710	1.8
429.17599	5.5
529.26202	0.5
547.27380	5.5
591.23779	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	590.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
60.32674	0.3
61.98823	1.0
71.63633	0.4
75.00877	5.2
76.01215	0.4
78.95898	47.0
79.12891	0.3
87.34234	0.3
88.54529	0.3
96.96014	0.5
96.96959	7.3
96.97570	0.5
120.42856	0.3
122.98507	0.7
125.00046	0.9
126.15274	0.3
140.01157	0.4
150.98012	1.5
151.01718	0.4
152.99577	100.0
153.99927	0.6
171.00648	2.9
211.94724	0.3
212.26421	0.3
256.07574	0.5
258.08990	0.6
275.20187	1.1
276.65860	0.3
277.21701	51.7
278.21997	3.4
279.23260	21.3
280.23621	1.8
312.10126	1.7
313.10867	0.4
328.11581	0.5
330.11136	1.1
379.28632	0.4
405.12253	0.4
431.21967	14.6
431.27820	0.8
432.22266	1.3
472.48145	0.3
498.03323	0.4
590.32715	17.8
591.33008	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	590.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75420	0.2
58.21799	0.2
59.01373	0.9
61.98828	100.0
69.30417	0.9
69.30852	0.7
71.01376	0.4
78.95935	0.3
78.98597	0.3
79.95745	0.7
80.96514	3.5
80.96997	0.2
89.02474	0.2
94.98083	1.0
96.96009	0.2
97.02974	0.2
98.19778	0.4
101.02448	0.3
111.52849	0.2
113.02428	0.2
122.97607	0.4
125.02478	0.2
127.97042	0.2
129.71909	0.2
134.97580	0.4
148.99194	0.5
152.98647	0.4
161.04588	0.2
164.98677	0.6
171.10326	0.4
182.99701	0.2
225.00780	1.2
253.09282	0.7
254.09531	0.4
275.20163	0.5
276.20511	0.3
291.19678	0.3
292.20032	0.2
293.21283	1.3
294.21515	1.5
299.04626	0.2
328.10727	0.4
332.91025	0.2
591.24744	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
59.01376	24.0
61.98831	3.0
69.32475	4.2
71.01378	4.4
71.05012	2.0
73.02935	1.1
77.81542	0.5
78.95896	0.8
83.01382	0.8
83.05034	0.5
85.02941	1.6
87.00868	0.7
88.61472	0.5
89.02437	4.0
95.01393	0.5
96.96013	0.7
101.02437	4.8
101.87991	0.4
113.02437	2.7
119.03461	1.1
152.99577	0.5
161.04494	2.4
179.05525	0.8
209.11807	0.7
209.15446	1.2
221.15430	0.7
223.16988	1.8
231.21205	0.9
233.47948	0.5
235.08168	1.6
235.17017	19.2
236.17442	0.8
237.18668	0.6
253.09264	24.2
254.09686	1.0
275.20129	22.0
276.20355	1.5
293.21207	100.0
294.21506	6.1
338.71054	0.5
353.18469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32451	0.6
69.32867	1.1
72.99297	1.9
75.00866	100.0
76.01193	0.4
115.25368	0.2
527.85309	0.3
540.34033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24662	0.4
57.03440	1.9
59.01373	14.5
61.98820	3.2
67.85445	0.4
69.32043	3.7
71.01382	3.2
73.02947	0.5
78.95895	1.1
83.01355	0.5
85.02946	0.7
89.02429	3.5
96.95988	1.2
97.06589	0.5
101.02417	3.4
113.02425	1.8
113.09711	8.2
119.03478	0.5
122.69821	0.5
138.94629	0.5
139.11197	0.6
151.73169	0.5
152.99593	0.7
161.04549	1.2
167.10794	1.3
171.10274	2.8
179.05646	0.5
179.10832	0.9
183.10254	0.5
183.13861	1.4
195.13840	1.3
223.13530	0.5
226.26915	0.6
235.08130	0.5
249.22191	1.0
253.09265	18.5
254.09677	1.0
257.41049	0.5
275.20114	5.0
293.21194	100.0
294.21527	5.9
379.95343	0.4
459.89243	0.4
529.30310	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	589.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
57.03452	1.3
59.01376	72.1
61.98826	2.2
69.29313	4.9
69.29741	3.8
71.01376	26.3
72.99309	1.1
73.02942	12.5
83.01386	3.3
83.05041	1.7
85.02927	10.0
86.03283	1.1
87.00871	2.6
89.02444	9.5
93.03445	1.4
95.01373	3.3
96.96004	3.0
99.00882	9.3
101.02439	14.3
111.46925	1.0
113.02435	14.8
119.03497	2.3
125.02445	2.5
129.01978	0.8
131.03481	2.3
137.09766	0.8
143.12532	0.9
159.02902	1.1
161.04536	8.3
171.10320	1.2
173.04521	3.7
175.11290	2.9
177.01938	3.3
179.05484	1.4
183.02156	0.9
191.05615	3.3
191.14398	50.5
192.14696	3.1
209.11812	1.0
209.15424	2.9
233.00922	2.2
278.77274	1.0
371.20566	5.0
379.06433	1.6
411.06982	1.6
413.21658	2.6
423.19748	1.0
485.23749	2.3
485.30988	3.4
503.24963	23.0
503.32266	1.1
504.25394	1.8
545.25995	100.0
546.26257	10.0
589.31836	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48454	1.9
57.55403	1.8
59.01374	88.2
61.98812	6.5
71.01380	45.4
73.02944	37.6
75.38769	1.9
81.03436	1.8
83.01378	5.3
85.02953	10.4
87.00851	4.0
88.98769	1.7
89.02438	40.6
93.03462	3.0
95.01393	4.5
96.95998	9.6
99.00871	100.0
101.02438	25.5
112.13639	1.9
113.02437	20.0
115.60759	1.8
118.98022	2.1
119.03474	5.1
125.02403	6.9
131.03502	12.2
135.04518	2.8
143.03487	6.9
149.04527	41.4
155.03506	3.8
161.04514	10.3
173.04482	6.4
191.05605	37.5
203.05579	17.5
233.06616	7.4
335.09726	4.3
397.22040	3.7
415.23029	4.1
457.24686	2.0
503.24637	6.4
527.24750	4.5
529.25751	3.3
545.25995	89.4
546.26099	8.8
547.27490	9.0
589.28320	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	589.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.85463	1.1
57.03425	1.3
58.37327	0.9
59.01377	78.4
61.98830	1.6
71.01379	27.0
72.99299	1.1
73.02940	12.5
78.25844	0.9
83.01392	3.9
83.73059	0.8
85.02940	11.5
87.00896	1.7
89.02438	10.2
89.15877	1.1
95.01397	2.3
96.95987	3.4
97.02923	1.6
99.00885	13.3
99.45287	0.9
101.02430	17.7
112.01587	1.3
113.02438	15.5
119.03487	2.3
125.02414	1.4
131.03506	1.3
137.09674	6.3
139.11275	8.3
143.03456	1.0
149.04512	1.4
151.00339	2.2
157.08702	1.1
159.03003	1.3
161.04555	7.4
173.04518	2.6
177.02026	4.7
191.05588	3.7
191.14352	1.6
209.15421	12.6
225.28433	1.1
233.00841	1.6
353.19785	1.6
371.20758	3.9
385.26257	1.0
411.06696	1.4
413.21765	6.8
485.23511	2.9
485.31125	4.4
503.25101	22.6
503.32224	3.0
504.25000	2.5
545.26019	100.0
546.26495	10.3
589.17316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
58.00574	1.3
59.01375	84.3
61.98814	1.4
66.30875	1.3
69.03452	1.6
71.01373	35.9
72.99307	1.5
73.02945	22.5
81.03438	1.6
83.01396	4.0
83.04965	1.1
85.02945	10.7
89.02432	20.3
93.03476	1.2
95.01394	2.6
96.96001	4.1
97.02956	1.4
99.00877	48.8
101.02431	18.6
113.02444	15.6
119.03524	2.9
125.02432	3.2
131.03529	5.6
137.09727	5.5
139.11270	6.4
143.03459	2.3
149.04547	15.3
155.03537	1.9
161.04527	9.8
173.04591	1.4
177.01939	1.3
181.06265	1.6
191.05623	13.6
191.14426	1.3
203.05623	5.8
209.15445	9.2
233.06647	3.9
292.50308	1.3
371.20764	3.2
413.21851	7.0
485.24246	2.1
503.24911	17.8
545.25970	100.0
546.26318	7.8
548.35278	1.3
590.34949	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87360	1.2
55.01870	1.1
55.13011	1.3
57.03428	2.1
59.01374	100.0
60.01707	1.2
61.98833	1.4
64.08612	1.1
69.03436	2.8
69.57384	5.5
69.57799	2.5
71.01376	49.8
72.99309	2.1
73.02941	43.2
76.90568	1.1
83.01385	4.7
85.02950	8.4
87.00877	1.4
89.02438	46.9
93.03449	2.2
95.01398	2.4
96.96021	4.3
97.02962	2.1
99.00874	98.9
101.02429	21.7
110.88033	1.0
111.04460	1.3
113.02444	21.2
119.03497	4.9
122.35008	1.3
125.02425	6.2
131.03485	14.0
141.01723	1.4
143.03499	5.4
149.04547	41.5
155.03491	4.0
159.86015	1.2
161.04549	10.6
173.04556	4.8
177.01926	1.9
179.05638	2.7
191.03929	2.2
191.05598	32.3
192.06061	1.3
203.05559	15.3
233.06602	11.7
335.09790	4.1
413.21906	1.8
485.24203	1.8
485.31122	3.9
503.24860	9.0
503.32224	3.3
504.25391	2.1
545.25977	87.1
546.26190	11.7
578.04950	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	589.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88867	0.5
55.01859	2.1
57.03447	3.8
58.00592	0.7
59.01375	71.2
68.34047	0.6
69.03437	0.8
69.55206	0.6
69.56523	4.4
71.01377	29.0
72.99299	1.3
73.02943	12.1
83.01374	3.5
85.02950	12.9
85.69776	0.6
87.00866	1.8
88.19234	0.6
89.02441	10.3
95.01379	2.4
97.02918	1.6
99.00877	12.0
99.65638	0.5
101.02434	22.3
111.00875	1.4
113.02444	14.6
119.03487	2.1
125.02429	2.0
131.03470	1.5
136.77872	0.5
137.09706	1.1
141.01894	0.6
143.03532	1.4
149.04454	0.6
149.47464	0.7
151.51846	0.6
159.02963	2.4
161.04544	9.6
191.05589	1.3
193.86699	0.6
207.72156	0.6
209.15446	8.7
210.15811	0.7
232.16513	0.7
305.17590	1.6
353.19724	4.4
371.20734	9.2
372.21289	0.7
390.42181	0.7
413.21750	6.5
436.98239	0.6
485.23846	3.3
503.24966	29.2
504.25388	2.1
545.25964	100.0
546.26447	9.1
547.27838	0.9
572.15271	0.8
589.28442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89957	1.1
57.03431	1.3
59.01374	91.8
61.98846	2.3
69.03436	2.1
70.83794	1.7
70.84125	2.5
71.01376	38.2
71.05019	2.7
72.01733	1.1
72.99302	2.2
73.02942	14.7
78.95914	1.4
83.01376	5.0
85.02950	14.8
87.00874	2.4
88.98784	1.3
89.02441	14.0
93.03450	4.2
95.01366	2.6
95.04960	1.2
96.95998	28.8
99.00882	15.4
99.04541	1.3
101.02431	19.3
109.02815	1.2
113.02434	17.6
119.03510	2.9
125.02435	2.3
131.03476	2.0
131.70764	1.3
133.66965	1.3
135.04538	2.7
137.02448	1.4
137.09709	12.2
139.11319	1.7
148.63190	1.2
149.04507	3.7
149.67157	1.2
155.03563	2.0
161.04581	9.3
173.04570	6.6
177.01891	2.8
179.05655	1.4
190.76485	1.3
191.05583	9.4
191.14304	1.7
209.15463	8.6
246.62688	1.5
353.19858	1.5
371.20633	5.9
413.21603	5.5
485.23999	2.9
485.30304	2.9
503.25082	22.9
503.32178	1.1
504.24908	1.6
529.26501	2.7
545.25983	100.0
546.26257	8.8
547.27582	2.4
589.29761	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	589.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.6
58.00581	1.7
59.01374	100.0
59.31251	1.6
61.98817	2.0
62.86204	1.5
65.44039	1.5
67.01898	2.0
69.03438	3.0
69.25240	14.5
71.01376	47.8
71.01759	2.9
72.99330	1.8
73.02938	38.3
76.48356	1.7
80.96543	2.3
83.01385	5.7
85.02927	12.4
87.00898	2.6
89.02435	43.8
93.03455	13.7
95.01382	3.0
96.96006	16.2
99.00874	96.8
101.02428	20.4
102.98484	1.5
111.04496	2.7
113.02433	20.8
119.03497	3.0
125.02422	6.4
131.03494	16.1
134.11626	1.4
137.02399	1.9
143.03508	4.3
149.04541	56.8
150.24306	1.6
152.35497	1.5
152.99582	1.6
155.03508	5.5
155.38072	1.6
161.04578	8.8
173.04518	33.0
191.05606	51.3
192.05907	1.6
203.05591	20.6
210.91336	1.6
233.06619	12.6
323.18478	3.0
335.09753	5.2
353.10852	2.2
415.19638	6.3
457.24167	2.3
503.25119	2.6
529.26471	10.0
545.26001	23.4
546.26575	2.2
547.27692	9.5
589.29004	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	589.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
66.03318	5.8
69.35143	7.3
71.01381	42.6
73.02931	24.0
85.02943	19.0
89.02438	30.0
98.20610	19.4
99.00869	81.8
101.02401	21.3
113.02429	24.6
131.03516	8.3
149.04532	42.7
156.09926	6.3
160.72806	5.9
161.04568	8.6
191.05560	41.3
203.05557	20.0
233.06635	8.1
503.24924	16.5
545.25879	94.6
589.19043	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	587.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33522	0.6
56.01386	0.6
59.01373	17.3
61.98816	2.1
69.45921	1.7
69.46324	4.2
71.01381	4.2
72.99277	0.9
73.02908	1.2
77.08228	0.7
78.95891	2.8
83.01407	0.8
83.05052	0.7
85.02943	1.4
89.02416	4.0
93.03426	1.1
93.07085	1.1
96.96014	2.1
97.06615	0.9
101.02418	3.9
113.02438	2.0
121.10205	6.1
125.09705	4.2
141.12840	0.7
147.08150	1.1
152.99588	1.4
161.04549	1.6
173.04529	1.3
177.13036	0.9
185.11798	10.8
191.05615	0.9
197.11812	2.6
209.11806	2.8
211.13498	1.1
221.15471	2.2
236.10475	2.5
253.09225	16.1
273.18594	0.9
291.19626	100.0
292.19907	6.6
293.17661	2.0
293.21252	1.8
294.21692	0.9
309.20636	1.2
363.11624	0.8
447.69705	0.9
499.04868	1.5
527.28369	11.2
528.28918	1.0
587.05847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03450	1.1
59.01377	100.0
60.01734	0.8
61.98822	3.2
68.89197	0.6
69.29422	6.1
71.01379	24.4
72.99274	0.8
73.02937	9.5
78.95919	1.0
82.95361	0.5
83.01405	3.4
83.05028	0.9
85.02945	7.7
87.00874	2.1
87.04511	1.4
88.98798	1.2
89.02439	15.1
93.03480	2.0
95.01398	2.7
96.96001	4.1
99.00890	1.7
101.02438	14.5
108.60838	0.6
113.02444	20.5
119.03490	6.2
125.02483	0.8
128.50027	0.6
131.03500	1.3
137.02438	1.1
143.03523	3.1
149.04599	2.1
161.02376	0.8
161.04552	7.7
173.04570	2.3
179.05577	7.4
180.74860	0.7
191.05589	3.3
195.01381	0.7
249.22156	0.7
317.75732	0.7
410.44174	0.6
450.75772	0.7
483.29602	26.8
484.30136	2.3
501.30734	8.1
502.31290	0.7
543.31989	2.1
544.27802	2.5
587.29626	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	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
68.96859	0.9
71.01382	18.6
71.23216	1.3
73.02948	4.0
83.01344	1.5
85.02951	6.7
87.04507	3.1
89.02436	6.7
93.03468	1.1
95.01393	2.9
96.95994	3.2
97.06580	1.6
99.00891	2.0
101.02435	9.3
103.36523	0.9
113.02438	16.0
119.03473	3.6
121.65788	0.9
143.03464	1.4
161.04538	7.5
161.12263	0.9
179.05553	2.6
191.05650	2.1
195.08020	0.8
379.24060	1.0
404.46756	0.9
431.13608	0.9
461.99753	1.0
483.29553	34.1
484.29971	3.1
501.30637	8.7
521.94751	0.9
543.31427	4.8
587.30420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01374	100.0
60.01706	1.6
61.98831	2.0
62.83596	0.8
69.24632	8.4
71.01375	18.6
72.99261	0.7
73.02953	4.3
78.95885	0.9
83.01393	1.6
85.02946	8.5
87.00861	1.5
87.04520	3.6
89.02435	4.9
93.03433	2.3
95.01378	3.2
96.95996	3.0
97.06611	2.0
99.00885	2.5
101.02441	8.8
113.02447	13.4
119.03505	1.8
125.02521	1.0
135.04407	0.9
143.03545	1.1
159.02988	0.9
161.04517	6.6
173.04477	3.8
179.05576	1.8
181.12347	1.1
191.05577	2.9
199.39653	0.8
325.16458	1.6
343.17560	2.3
371.07611	1.0
424.04996	1.0
438.04333	0.9
483.29541	32.2
484.29813	3.4
501.30533	11.9
501.37155	1.0
502.30713	1.0
543.31702	2.4
587.28363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21969	0.6
57.03440	1.3
59.01377	13.6
61.98814	1.6
64.34249	0.7
69.28997	6.6
71.01386	3.4
73.02952	0.8
77.26579	0.7
78.95892	1.5
83.05003	1.0
85.02895	1.0
87.00876	0.8
87.68436	0.6
89.02428	2.8
93.03476	0.7
94.61811	0.6
98.19865	1.1
101.02437	3.3
106.22653	0.6
107.14677	0.8
109.06614	0.6
111.08150	6.4
113.02428	1.9
122.66077	0.6
125.09659	0.7
133.11203	0.8
144.83139	0.6
152.99719	0.6
161.04466	0.9
167.10747	1.5
173.04559	1.2
177.12814	1.1
179.10760	1.1
191.05627	0.9
195.13922	4.5
247.20648	1.8
253.09259	16.1
273.18527	1.6
285.65625	0.7
291.19629	100.0
292.20050	6.3
466.42807	0.8
527.28375	9.8
528.28595	1.1
561.46838	0.7
587.22003	0.9
587.34332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18680	0.7
57.03436	1.0
58.00582	2.2
59.01375	79.1
59.81996	0.8
60.01716	1.0
69.03439	2.6
71.01379	52.6
72.99292	1.5
73.02941	28.2
81.03481	0.9
83.01379	2.1
85.02947	5.6
87.00838	1.0
89.02438	70.2
91.38756	0.7
97.02950	2.8
98.20642	1.5
99.00875	100.0
100.01211	1.7
101.02434	13.1
113.02441	14.1
119.03466	1.5
125.02453	8.7
126.65982	0.7
131.03494	18.0
139.16559	0.9
143.03497	8.6
149.04543	85.5
150.05002	1.0
153.77695	0.7
155.03505	5.2
161.04535	5.0
168.29694	0.8
182.32912	0.8
190.75139	0.8
191.05595	42.8
192.05898	1.7
203.05609	24.8
231.10207	0.9
233.06656	14.1
335.09698	4.2
336.67453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35388	0.9
53.03352	0.9
55.01859	1.9
55.64264	1.0
57.03438	13.9
59.01373	93.8
61.98829	7.5
69.03466	1.5
69.93913	5.0
70.69299	0.8
71.01377	35.8
71.04999	0.8
72.99296	1.7
73.02937	19.4
75.00890	1.1
78.97124	1.0
83.01385	4.5
85.02937	11.8
87.00854	2.5
89.02436	17.0
93.03440	1.7
95.01399	2.3
96.95999	3.2
97.02959	2.5
99.00877	39.6
101.02428	17.0
109.06570	1.5
113.02437	16.4
118.98521	0.9
121.06616	1.1
125.02406	4.0
127.73299	0.9
131.03484	5.3
137.09682	3.9
139.07602	1.6
143.03456	1.4
149.04539	16.1
149.09647	1.0
151.62645	0.9
159.02994	1.9
161.04521	8.4
173.04510	2.5
181.05818	1.0
189.12827	1.2
191.05592	18.0
192.11583	8.7
203.05586	17.7
207.13870	47.2
208.14151	1.8
233.06638	2.7
293.08664	1.0
309.31973	1.1
501.23376	22.9
502.23416	2.2
543.24414	100.0
544.24683	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	587.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89162	1.8
51.43546	1.9
53.23625	1.5
58.00602	1.9
58.66589	2.0
59.01372	89.4
63.87653	1.5
65.35358	1.7
66.61871	1.9
68.72937	1.7
69.03454	2.0
69.29892	1.7
69.44989	14.4
71.01376	58.1
72.99283	2.0
73.02940	34.2
81.03452	1.8
83.01388	1.8
85.02956	8.0
89.02437	76.4
92.36726	1.7
99.00871	100.0
100.39232	1.8
101.02425	14.4
113.02422	15.8
119.03505	2.9
125.02434	11.0
131.03491	22.1
142.69740	2.0
143.03517	8.5
149.04541	94.2
155.03490	5.5
161.04567	4.2
177.02722	1.9
191.05579	46.1
203.05586	30.0
233.06641	13.4
259.30814	2.0
260.47006	1.9
277.21170	2.0
335.09628	4.3
342.25107	1.7
529.70795	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	586.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95700	0.1
59.01368	1.6
61.98825	100.0
62.98537	0.1
71.01387	0.8
73.02948	0.3
82.95403	0.2
85.02958	0.4
87.00843	0.1
89.02436	0.4
93.03448	0.5
96.96014	1.2
99.00865	0.1
101.02445	0.4
113.02455	0.5
135.04491	0.2
137.02428	0.1
149.04570	0.1
161.04462	0.1
173.04565	0.8
177.02003	0.1
187.07599	0.1
191.05598	1.5
192.05887	0.1
202.92648	0.1
215.78838	0.1
526.28131	0.1
526.35632	0.2
587.29907	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	586.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01379	9.4
61.98819	1.4
62.48660	0.6
66.28503	0.6
70.44923	1.2
71.01371	2.1
71.05019	0.7
78.95900	8.9
80.96497	0.8
83.05040	0.7
85.02943	1.3
87.00829	0.8
88.17763	0.6
89.02422	1.0
93.03434	1.9
96.96042	1.5
99.08141	1.4
113.02455	0.9
113.09724	2.5
121.07529	0.6
121.10197	1.1
125.09686	0.8
129.09195	3.8
133.02951	0.9
135.04520	1.0
136.58926	0.7
137.02480	1.1
137.09740	0.5
139.11285	1.8
152.99567	1.8
165.12834	0.8
167.10735	0.9
168.04283	2.3
169.12343	1.6
171.10258	6.6
173.04498	3.3
181.12312	2.7
183.13869	1.9
191.05586	3.0
193.12320	3.9
197.11800	6.2
199.13422	2.7
200.00853	0.6
209.11859	1.7
211.13356	13.1
212.13696	0.9
224.06958	1.2
227.12811	0.9
242.07961	4.5
275.20148	0.8
293.21198	14.2
294.21439	1.0
311.22247	51.8
312.22580	3.0
394.13773	1.6
536.29858	100.0
537.30231	8.7
586.20624	1.1
586.35614	2.0
587.21893	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	586.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49205	0.8
59.01374	8.8
60.37171	0.8
61.98816	2.8
66.01720	0.8
70.57961	1.3
71.01386	3.3
74.02460	1.0
78.95895	11.6
87.00861	1.3
89.02441	1.3
90.24033	1.0
93.03435	3.7
96.96006	3.5
99.08162	1.2
101.02445	2.1
109.02950	1.0
113.02409	1.6
113.09683	2.0
113.58846	0.8
114.31870	0.8
129.09225	4.5
133.02974	0.9
134.03647	0.9
135.04515	1.3
137.02417	1.1
151.00484	0.9
151.07677	0.9
151.11240	1.5
152.99568	2.0
155.03485	1.2
159.04405	1.2
167.10780	1.1
168.04240	3.5
169.12332	3.0
169.92529	0.9
171.10229	1.5
172.05261	1.1
173.04575	5.3
173.05914	1.5
175.07599	1.2
181.12234	4.7
183.13852	2.3
188.07957	1.1
191.05580	5.3
192.05988	1.0
193.12280	2.1
197.11807	12.7
198.12140	0.9
199.13330	5.0
209.11884	1.1
211.13347	17.7
215.07065	1.8
216.07304	1.2
217.08643	2.4
218.08960	1.7
224.06877	1.8
238.06421	0.9
242.07863	6.1
275.20126	1.5
293.21225	10.7
311.22238	52.4
312.22556	3.6
394.13309	1.9
444.19351	1.2
461.19568	1.8
462.19934	3.4
536.29858	100.0
537.30273	7.7
586.20563	1.5
586.31470	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	585.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
58.00574	2.0
59.01373	100.0
61.98821	5.5
69.03420	1.8
70.37583	4.2
71.01374	41.5
72.99288	2.2
73.02940	33.7
75.27447	1.1
78.95898	1.8
82.95374	1.7
83.01386	9.2
85.02935	13.8
87.00868	4.2
89.02431	16.4
93.03462	5.7
95.01372	3.2
96.96013	6.9
99.00861	3.2
101.02435	29.8
113.01680	2.0
113.02438	28.2
119.03487	8.9
125.02444	1.8
128.95071	1.2
131.03503	2.4
133.02930	2.1
135.04472	1.5
137.67648	1.1
143.03456	4.6
149.04512	4.1
151.00351	1.6
161.04526	6.5
173.04524	5.3
175.08594	1.1
178.99930	1.2
179.05589	5.2
191.05586	14.5
192.05878	1.3
209.11818	1.2
219.31496	1.2
229.08510	1.3
255.06540	1.2
301.21735	1.2
319.22656	5.8
481.28049	7.4
499.28964	3.0
541.30054	2.2
543.27557	1.4
549.15918	1.7
585.30566	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	585.153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	18.4
59.36755	1.5
61.98822	6.5
65.42629	1.2
65.70621	1.1
69.26301	7.9
69.26723	6.7
71.01378	4.6
73.02932	1.5
78.95901	6.1
85.02951	2.8
87.09312	1.3
89.02453	2.0
93.03466	3.4
96.96007	4.8
97.02960	2.4
105.87055	1.5
109.02953	1.8
113.02440	2.1
125.09746	2.1
135.04500	1.9
139.11214	1.4
146.03702	8.3
147.04504	2.2
152.99553	3.1
158.03702	2.3
159.04474	10.1
160.05196	1.4
161.04549	1.6
161.06053	2.2
163.11258	1.6
165.12877	1.7
169.08714	1.6
172.05261	10.7
173.04520	8.1
173.06042	23.3
174.03218	2.4
174.06685	2.3
175.03932	4.3
175.07635	13.2
176.04747	15.9
185.06078	7.1
186.06816	5.6
187.03996	8.5
187.07622	35.4
188.04752	6.0
188.08299	2.5
189.05539	4.5
189.09216	3.2
191.05531	7.4
197.06036	2.6
198.06947	1.8
199.03970	1.5
199.07639	10.0
200.04803	8.1
200.08449	4.8
201.05542	11.4
201.07469	1.9
201.09192	14.3
202.06322	12.0
203.07069	4.7
204.07877	2.8
205.08679	17.7
209.11835	7.6
210.12207	2.2
213.05537	4.6
213.09180	5.0
214.06345	10.8
215.05161	3.1
215.07097	38.4
215.10522	3.2
216.07851	15.6
217.08670	70.2
218.09093	3.2
223.07600	2.0
225.05551	3.0
225.09134	3.4
226.06313	20.3
227.07005	2.8
227.10744	3.2
228.07956	2.3
229.08658	28.7
230.09137	1.5
231.10214	14.0
239.06999	1.6
241.08704	10.0
243.10188	24.1
244.11089	2.0
245.04282	3.9
245.11736	2.0
247.20593	1.9
255.10234	46.3
285.11270	7.4
291.19623	6.3
292.19971	5.5
309.20621	7.1
310.21313	3.3
316.07162	1.7
345.11230	2.0
364.13116	2.1
373.14499	3.6
417.16956	8.3
443.18643	14.7
444.18848	2.6
461.19669	100.0
462.20004	10.1
505.18646	9.1
534.28180	8.9
535.28687	18.8
549.17725	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	585.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.9
61.98817	3.6
71.01373	4.6
71.33035	2.7
78.95901	13.0
83.01361	5.3
83.04999	2.7
90.59701	2.0
93.03474	4.0
96.95969	5.3
97.02899	2.3
109.02921	2.2
123.07188	1.7
124.52960	1.7
125.09718	3.1
129.46167	1.7
135.04503	3.2
146.03706	8.4
146.04866	1.7
147.04469	2.5
148.05411	2.3
149.23474	1.9
152.99597	2.9
159.04471	7.2
160.05237	1.9
161.02353	2.3
165.12845	7.6
166.13100	2.4
167.10739	2.4
168.04271	3.2
172.05322	10.7
173.04578	4.5
173.05986	21.4
174.03160	3.0
174.06786	3.7
175.03938	3.8
175.07608	13.5
176.04738	13.6
185.06091	6.9
186.06848	3.9
187.04053	10.2
187.07614	28.9
188.04813	6.2
188.08162	3.4
189.05539	4.2
189.09215	3.7
191.05603	5.1
193.15948	2.4
197.06029	3.5
199.07597	6.6
200.04778	10.0
200.08470	2.2
201.05540	12.8
201.09154	13.4
202.06270	13.6
203.07094	4.4
203.10844	2.1
204.07854	5.3
205.08652	18.8
209.11790	23.7
210.12149	7.3
213.05470	4.4
213.09213	7.0
214.06331	8.5
215.07106	42.0
216.07867	16.7
217.06633	4.0
217.08670	61.1
218.09042	2.9
225.05553	3.1
225.09166	4.5
226.06339	18.7
227.06999	4.6
228.07903	3.6
229.08688	27.9
231.10252	14.3
241.08598	8.1
242.07771	2.9
243.10272	21.8
245.04431	1.9
247.20445	3.8
248.21159	2.1
255.10237	47.6
285.11185	9.9
291.19678	16.5
292.19867	9.8
309.20734	16.2
310.20944	11.7
329.00461	2.1
373.14273	4.0
417.17184	11.2
443.18527	15.3
461.19629	100.0
462.20209	8.8
534.28217	30.2
535.28595	48.0
549.17670	3.9
585.23297	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	584.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22858	1.0
59.01385	5.7
61.45494	0.9
61.98818	3.2
69.26207	8.8
71.01390	1.4
75.89312	1.0
78.95897	8.8
81.03448	2.0
81.54765	1.1
83.01373	5.2
83.05035	2.1
93.03485	1.1
96.96001	2.1
97.02943	1.0
97.06578	1.9
109.02918	1.1
123.04510	1.5
123.08115	2.6
125.06083	1.0
125.09728	5.2
127.11272	1.3
128.90303	1.1
139.11249	3.4
146.03769	1.8
151.11333	1.2
152.99553	2.3
159.04420	1.3
163.11252	6.3
165.12819	9.4
167.10808	3.1
168.04294	3.0
172.05289	2.6
173.04564	2.5
173.06070	4.2
175.07558	2.2
176.04832	1.7
181.12375	3.3
185.05972	1.6
187.03914	2.4
187.07635	6.2
188.04825	1.3
188.08398	1.4
191.05597	3.1
191.10744	2.2
193.15912	2.5
199.07689	2.7
201.05516	2.2
201.09274	2.5
202.06343	2.4
203.07016	1.1
205.08664	3.7
207.10364	1.3
209.11819	29.7
211.13437	1.7
214.06331	1.5
215.07140	9.0
216.07838	4.1
217.08681	13.3
224.06917	1.8
226.06358	3.3
227.07149	1.3
229.08568	5.8
231.10263	3.3
242.07942	5.6
243.10271	4.4
247.20589	8.7
248.21141	1.1
255.10165	9.2
271.94229	1.0
273.18454	1.9
291.19641	36.0
291.22971	1.7
292.19977	2.8
309.20700	33.4
310.21008	2.2
341.21436	1.0
417.16934	2.0
443.18457	3.3
461.19553	21.9
534.28296	100.0
535.28772	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	583.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15355	1.2
55.01868	2.4
57.03431	3.3
59.01379	54.4
61.98834	1.6
71.01376	32.2
71.63412	2.2
72.99312	1.5
73.02936	10.1
80.91708	1.4
81.03451	1.4
82.39928	1.5
83.01369	6.7
85.02950	18.1
86.00080	2.6
87.00880	4.7
89.02439	2.8
93.03464	4.6
95.01385	5.4
96.96023	3.7
97.02953	3.0
99.00878	4.2
101.02442	27.2
109.02901	2.6
111.00860	6.2
112.01666	1.7
113.02444	12.7
121.02972	1.9
124.01682	1.7
124.63364	1.4
125.02437	5.5
129.01833	2.5
135.04504	1.5
141.01837	1.4
143.03491	3.6
150.03210	3.1
159.02950	3.3
161.04523	5.1
165.05545	1.5
173.04520	15.8
186.45718	1.4
191.05602	5.5
195.06703	2.4
247.15509	3.6
334.47211	1.4
335.20822	5.8
347.16696	1.2
369.13220	1.8
412.13617	1.5
421.20731	11.4
479.24936	100.0
480.25153	8.4
497.26010	65.3
498.26392	2.8
539.27094	7.3
583.16687	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	582.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
59.01371	5.5
61.98833	8.1
66.86835	1.3
71.01395	2.6
71.63322	1.6
73.02930	1.3
78.95901	13.2
79.76170	1.2
80.02702	1.7
81.03447	1.5
82.09277	1.4
83.01363	3.1
85.01894	1.4
85.02943	1.3
93.03465	3.8
96.96010	17.8
97.02946	1.7
123.04508	1.8
123.08134	1.8
125.09714	6.3
127.70609	1.5
135.04552	2.1
135.08182	1.4
137.09749	3.6
152.99579	4.6
155.03462	1.3
163.11287	8.2
165.12778	1.5
168.04404	2.6
173.04546	4.3
181.12323	2.6
185.11858	6.9
191.05632	4.2
191.10677	1.8
191.14395	4.4
207.10281	3.6
209.11786	26.4
215.06818	1.5
219.10031	1.4
222.18248	1.5
225.11269	2.0
242.08002	4.3
242.81624	1.6
245.19075	11.9
289.18066	22.5
290.18463	1.7
307.19107	27.0
362.61316	1.5
494.22430	1.9
532.26740	100.0
533.27185	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	582.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.89573	0.1
61.98825	100.0
62.98534	0.1
64.06574	0.1
68.75493	0.1
71.01389	0.2
71.62263	0.1
73.02938	0.1
80.79844	0.1
85.02964	0.2
88.98824	0.1
89.02457	0.2
93.03470	0.4
96.96005	1.0
98.95587	0.2
112.93777	0.1
113.02475	0.1
120.93041	0.1
121.03006	0.2
134.00690	0.1
173.04514	0.9
191.05597	1.5
192.05983	0.2
210.79407	0.1
211.60370	0.1
213.96365	0.1
295.08371	0.3
522.25787	0.2
528.09656	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	582.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52806	1.4
62.49227	1.6
71.62098	3.3
73.02946	1.9
85.02930	1.6
96.96015	5.0
108.02168	51.5
109.02971	18.0
152.01143	49.0
153.01936	19.3
156.34648	1.7
158.51707	1.6
160.19012	1.5
243.57568	1.6
315.07187	100.0
316.07449	5.9
514.49286	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	581.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75548	2.0
59.01377	22.6
61.98822	9.7
67.01877	6.8
68.40379	2.3
69.26810	10.9
69.27230	8.2
71.01362	9.0
72.99299	3.4
73.02942	2.1
78.95900	4.7
85.02933	16.4
87.00870	7.6
89.02445	2.3
93.03448	49.6
96.96016	17.4
99.00878	1.8
101.02415	4.5
103.74036	1.9
109.02938	2.8
110.77322	1.8
111.04501	7.8
114.74625	1.8
127.04002	3.1
129.01918	2.2
133.02963	3.5
134.03752	2.3
135.04512	4.0
137.02403	5.8
141.01688	2.8
147.04462	2.0
151.00322	2.9
155.03491	5.4
158.03708	2.2
159.04562	2.8
161.02452	4.7
171.10168	2.5
173.04530	83.5
174.03140	2.1
174.04839	2.1
175.00272	5.8
175.03917	3.2
177.05576	3.1
186.06837	3.1
187.07648	6.9
189.05547	4.2
191.05585	100.0
191.07320	5.0
192.05951	2.3
197.11783	4.2
199.04031	2.7
201.05548	5.5
201.09160	3.7
203.07066	5.4
205.08650	8.1
211.13449	3.3
214.02693	5.2
215.07014	5.6
217.08569	2.3
229.08652	6.7
230.09422	3.7
231.67191	2.1
232.07413	4.2
233.08264	32.9
241.01447	3.7
242.02271	10.6
243.02972	4.7
245.00745	3.8
247.09734	7.7
251.09227	20.2
253.09253	9.9
254.09221	2.4
255.03040	2.8
270.01566	11.5
271.02414	12.2
272.02606	2.6
274.08594	3.4
291.19632	6.0
292.09406	3.7
298.01285	5.2
299.01849	35.1
300.02435	9.8
301.02795	4.3
309.20737	12.9
327.16168	2.2
336.97736	2.7
345.16864	2.4
389.15662	4.4
396.08444	13.3
397.09021	3.5
423.12946	5.2
446.08389	25.1
447.08661	3.5
448.09332	3.4
466.15045	2.7
484.15692	4.8
491.24683	2.0
493.22635	2.3
523.34222	2.0
543.15045	47.3
544.15277	6.9
545.15533	7.3
545.29236	2.6
563.21143	41.2
564.21497	2.9
581.21655	11.4
581.29657	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	581.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34037	1.8
57.03436	3.0
59.01370	30.2
61.98824	10.9
67.01869	8.0
69.71628	10.6
71.01382	13.2
71.05029	2.0
72.99306	4.4
73.02943	3.5
75.00842	3.5
76.22252	2.2
78.95880	3.0
81.03461	2.5
83.01375	2.0
83.05036	2.7
85.02939	17.8
87.00881	10.8
89.02419	3.0
93.03447	55.7
94.03803	1.7
95.01388	1.7
96.96005	24.9
96.96947	1.9
98.19824	2.1
99.00883	3.0
101.02422	5.5
109.02969	3.5
109.97157	2.0
111.04526	9.5
113.02407	4.5
127.03934	2.3
133.02933	3.3
135.04482	3.1
136.01619	2.0
137.02400	6.4
141.01694	4.6
147.04442	2.1
151.00323	2.2
152.99554	2.3
155.03467	7.0
159.04562	2.8
161.02420	3.2
171.10216	2.5
172.05243	2.3
173.04529	91.4
175.00357	5.1
175.03940	3.7
175.07587	3.0
177.05418	2.1
177.09151	2.2
186.06789	3.0
187.03958	2.2
187.07582	11.1
189.05518	4.8
191.01930	3.5
191.05591	100.0
192.05890	3.8
197.11769	5.9
200.04660	2.4
201.05482	6.5
201.09184	2.8
203.07101	7.6
204.07727	3.3
205.08736	12.5
211.13538	2.7
214.02779	3.4
215.07092	5.8
229.08577	5.6
230.09450	4.3
232.07394	5.1
233.08235	35.8
234.08513	2.4
241.01215	3.4
242.02136	9.2
243.02878	4.2
245.00891	2.1
247.09772	11.9
248.10510	2.6
249.11122	2.0
250.08429	2.0
251.09207	22.7
253.09167	8.1
255.03008	4.1
270.01691	9.1
271.02393	16.5
274.08334	2.6
291.19531	3.3
292.09601	4.1
298.01071	5.1
299.01874	37.0
300.02484	8.2
301.02881	2.6
309.20721	12.2
339.09146	2.5
389.15964	7.4
396.08572	9.4
397.09146	2.9
407.17093	2.6
423.12964	4.2
445.07733	2.5
446.08478	20.4
447.08862	5.8
448.08871	2.5
484.15518	4.8
492.72516	1.9
543.15027	40.2
544.15356	5.6
545.15552	6.3
545.28967	3.2
563.21320	40.8
581.22357	15.1
581.30609	10.7
582.22552	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54861	0.3
57.03438	0.5
59.01374	7.3
61.98807	0.8
65.79762	0.2
67.01888	0.7
68.31390	0.3
69.29262	2.4
71.01376	2.1
72.99306	0.3
73.02947	0.6
78.95893	1.1
79.95740	2.9
81.03449	0.5
85.02944	3.3
87.00890	1.3
89.02451	0.4
93.03449	6.5
93.29042	0.3
96.96002	100.0
97.02921	0.3
99.00860	0.4
101.02471	1.3
109.02949	0.5
111.04530	0.8
113.02412	0.7
113.92671	0.3
114.93382	0.3
118.90914	0.3
133.02985	0.3
134.03706	0.4
135.04501	1.2
135.05432	0.3
136.01559	0.3
137.02423	0.6
155.03477	0.8
161.02446	0.5
173.04530	11.0
174.03264	0.5
174.04979	0.3
175.00328	0.6
177.09311	0.3
187.07640	0.9
191.01950	0.7
191.05591	12.7
192.05896	0.4
201.05550	0.3
203.07127	1.0
204.07909	0.4
205.08678	0.9
209.02939	0.6
211.13448	1.1
214.02634	0.4
229.08582	0.7
230.09541	0.6
232.07378	0.7
233.08240	2.6
241.01237	0.4
242.02196	0.8
245.00842	0.6
247.09724	1.2
248.10477	0.3
251.09276	1.8
270.01645	1.2
271.02423	0.4
274.08438	0.3
291.19751	0.5
297.11398	0.3
298.01077	0.7
327.15811	0.6
345.17114	0.6
351.07144	0.5
371.14853	0.8
384.31763	0.3
389.15939	1.0
396.08450	1.1
484.15897	0.6
495.19067	0.8
521.29938	0.4
527.28339	0.5
543.15057	3.6
544.15344	0.4
545.15924	0.9
563.21252	7.7
564.21985	0.6
581.22479	1.6
581.31830	7.4
582.32043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74101	0.3
59.01374	14.7
61.98828	2.2
69.32722	2.5
71.01364	0.5
78.95897	11.0
79.95747	0.6
80.96515	3.7
90.04404	0.3
94.98053	0.7
96.96008	3.4
96.96950	0.6
99.92568	0.6
101.02480	0.3
110.38255	0.3
115.92079	2.2
116.92865	2.1
125.02431	0.3
148.99133	0.3
152.99590	3.3
164.98586	0.6
168.04298	1.3
171.00642	1.0
178.88445	1.5
179.89177	2.3
180.90004	1.3
180.92726	0.3
194.87894	0.3
196.89484	2.6
205.90703	0.6
206.91521	0.3
224.06934	0.9
225.00729	0.5
235.91795	0.9
236.92603	1.9
242.07964	2.2
260.60110	0.3
281.24820	100.0
282.25159	5.4
292.95285	0.4
310.96213	0.4
479.02612	0.3
490.14362	0.5
506.32452	36.5
507.32767	3.7
563.16925	0.5
580.28656	6.7
581.18353	6.3
581.28064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46723	0.3
61.98827	100.0
69.82552	0.9
69.82964	0.8
78.95905	0.7
80.96513	0.7
96.95986	0.4
98.19862	0.6
103.22491	0.3
106.39400	0.3
180.89940	0.5
281.24960	0.7
471.60779	0.3
497.00629	0.3
581.18335	1.0
581.30127	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	579.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67186	0.2
59.01371	1.7
60.01706	0.2
61.01807	0.2
61.98824	100.0
78.95898	0.7
96.52393	0.2
151.73447	0.2
152.99580	0.5
168.04497	0.1
207.37312	0.2
230.10857	0.3
277.21689	4.0
278.22015	4.7
279.22342	3.2
280.22620	1.9
320.92154	0.2
415.35162	0.2
502.29184	1.1
503.29907	0.6
504.30005	1.3
505.30219	2.8
579.30658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.3
61.98824	100.0
68.16831	0.1
69.25130	1.0
69.25546	0.3
71.01391	0.3
79.44843	0.1
81.11943	0.1
83.01111	0.1
93.58723	0.1
96.96006	1.6
99.24843	0.1
140.79866	0.1
173.04480	0.2
176.05907	0.1
191.05583	0.5
216.44246	0.1
306.52710	0.1
517.23022	0.4
520.24957	0.4
580.22876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80805	4.0
55.37853	3.8
57.03426	5.2
57.63525	4.0
59.01093	5.3
59.01379	80.2
61.98820	14.2
67.01865	12.7
67.05508	4.4
69.03445	5.8
70.72492	8.1
70.72844	8.9
71.01369	16.0
71.29243	4.6
72.90225	3.8
72.99282	8.0
73.88713	4.2
74.36285	3.8
75.00861	13.7
75.68169	4.2
77.35749	4.5
78.63671	4.0
78.95888	9.4
79.08043	3.8
82.95908	4.8
85.02952	8.1
87.00885	7.9
93.02914	7.1
93.03458	87.3
94.03813	5.3
96.12040	4.1
104.46118	4.7
111.00876	5.1
111.04483	13.3
113.02378	4.5
133.02921	8.3
134.03703	4.5
135.04492	17.6
137.02388	7.7
173.03064	6.8
173.04536	100.0
174.04869	5.0
178.02689	15.1
179.03505	7.1
191.05591	51.4
205.00879	5.8
275.09317	7.9
286.32379	5.3
420.06491	4.5
449.14453	30.9
468.68701	4.5
489.32022	4.7
543.14349	4.9
579.24133	13.4
579.33228	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	579.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49047	0.4
52.19772	0.3
59.01371	1.1
61.76912	0.4
61.77594	0.3
62.84878	0.3
63.96219	0.8
69.03441	0.6
69.77599	0.3
71.01373	6.3
71.39510	0.9
73.02946	1.5
78.98578	4.4
79.95731	7.1
80.96511	53.3
81.03452	0.8
85.02952	1.7
87.00874	2.5
94.98076	14.1
96.95039	0.4
96.96001	9.6
97.02932	1.5
101.02437	1.9
104.93742	0.4
106.98098	2.4
122.97574	4.5
125.02431	4.0
127.03976	0.8
134.97598	3.6
136.99182	1.0
148.99133	4.9
152.98622	4.8
152.99712	0.7
164.98604	10.3
182.47394	0.3
182.99673	2.0
206.99646	2.9
225.00735	16.0
243.01794	1.2
247.78105	0.4
279.23227	2.9
299.04398	2.8
304.92490	0.4
481.25873	0.5
579.28351	100.0
580.28741	10.1
580.36554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01376	100.0
59.26783	0.9
61.98834	4.3
67.01885	3.4
71.01375	13.7
72.99295	1.8
73.02950	4.2
74.51308	1.0
78.95922	1.2
79.95731	2.6
83.01369	2.0
83.05018	1.7
85.02945	9.0
87.00857	5.3
89.02451	3.9
93.03458	15.4
95.01392	1.2
96.96004	61.2
97.02960	1.4
98.20734	1.7
98.95584	3.6
99.00882	2.7
101.02419	8.4
109.02971	1.5
111.04510	2.7
113.02457	5.6
115.92059	1.2
116.92868	6.2
123.04562	1.2
125.02354	1.8
135.04527	2.2
137.02400	1.7
151.00339	3.3
152.01157	0.8
155.03496	2.7
159.04507	0.9
161.02441	1.3
161.04573	3.1
167.03540	1.2
167.19125	0.9
171.10315	1.1
173.04549	22.7
173.05965	1.4
174.04932	1.5
175.04027	1.3
178.99911	2.8
187.03978	1.4
191.05609	28.3
191.07329	1.5
192.05975	3.2
198.91292	1.2
199.03850	0.9
209.11806	4.0
217.08560	1.3
229.14558	0.9
245.08415	1.7
270.01575	1.4
311.36368	1.0
313.21606	2.2
387.14151	1.1
396.08701	1.3
417.17532	3.6
457.26331	1.2
475.27649	1.1
481.64236	0.9
493.27896	7.1
504.20346	1.1
535.29376	4.9
537.27612	1.1
543.14996	10.2
561.19568	4.7
579.21942	1.8
579.33551	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	579.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98820	6.5
67.19979	1.3
69.35003	9.3
69.52905	1.2
71.01382	2.1
75.99362	1.4
85.02947	1.3
91.66636	1.3
93.03442	8.9
98.20644	2.7
101.02408	1.6
135.04480	2.4
137.02400	2.1
173.04539	12.6
174.04784	3.7
175.05151	1.7
191.05626	9.6
209.11627	1.6
253.09131	1.7
275.08951	2.1
289.18036	3.7
307.19055	3.7
407.54895	1.3
480.32642	1.5
481.69104	1.4
579.25861	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	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.5
60.99303	2.7
61.98820	8.2
65.23844	1.8
67.01891	10.5
71.01372	5.2
71.62814	2.1
78.95898	17.7
80.96509	2.4
83.05009	3.5
85.02960	4.4
87.00878	10.3
93.03452	71.9
93.77816	1.8
94.03775	3.3
96.96032	3.5
96.96975	2.2
99.00850	2.2
99.04496	1.9
111.04503	13.7
113.02424	2.2
113.21744	2.0
129.01979	2.7
133.02921	3.8
134.03725	7.2
135.04538	10.7
137.02449	6.1
152.99619	3.6
155.03444	4.3
171.00581	3.0
173.04532	100.0
174.04877	5.8
175.05043	2.9
177.01990	2.8
178.02667	7.9
191.05569	24.3
211.13351	2.4
275.09225	6.4
289.17874	2.1
307.19073	2.1
331.19104	5.4
351.07071	3.3
382.26505	3.3
431.73648	2.1
449.14478	18.3
450.14771	2.7
535.25159	2.9
579.21472	7.5
579.31232	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	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01709	0.9
71.01383	1.3
73.02937	0.5
74.71445	0.4
85.02955	1.1
87.23872	0.4
89.02438	0.6
93.03464	1.3
96.96001	8.3
99.00867	0.5
101.02432	1.4
107.01411	0.5
113.02444	1.0
121.02941	1.0
121.90714	0.4
126.90391	4.0
150.03241	0.5
151.00407	0.7
163.04031	0.5
165.05554	0.8
173.04558	1.8
175.03993	1.4
185.06084	0.5
187.04141	0.6
190.06406	0.9
191.05589	5.1
195.06664	0.5
199.03983	0.6
222.05354	0.9
227.03481	9.4
229.05045	1.6
229.89342	0.5
235.07739	0.6
239.07170	0.8
251.07013	0.6
253.08737	0.8
255.02945	15.8
256.03552	2.3
257.04584	1.4
263.07181	0.8
267.06555	0.8
269.08130	2.1
275.68832	0.4
279.06631	1.2
281.08337	2.8
281.10880	0.5
283.09619	0.6
284.03229	23.2
285.03964	10.6
286.04443	0.7
291.06448	0.8
293.08350	1.4
294.08994	1.4
296.10541	0.7
297.07693	8.2
297.11011	0.7
298.08023	0.5
307.09924	0.8
308.10501	0.9
309.07675	13.6
309.11261	3.6
310.08069	0.9
312.10056	8.4
313.10556	0.5
323.09164	3.2
324.09988	10.8
325.10336	0.5
327.12329	42.4
328.12689	2.6
339.12317	40.7
340.12549	2.7
357.13431	0.8
519.28082	1.8
537.29285	0.6
546.76129	0.4
579.13580	25.6
580.13849	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	579.2079
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
56.29011	0.5
59.01380	3.7
71.01370	2.4
71.63261	0.9
71.95545	0.5
73.02887	0.6
79.95742	0.6
84.02174	0.6
85.02959	2.5
89.02451	1.2
93.03447	2.0
96.95999	1.3
98.30884	0.6
101.02410	1.5
102.79494	0.5
109.02920	2.2
113.02439	0.9
121.02878	0.5
123.00871	2.2
125.02479	1.1
133.02986	0.7
135.04482	0.7
137.02438	8.1
149.02385	0.6
150.03116	0.5
151.00362	15.3
151.03960	0.8
152.00984	0.7
152.04753	2.4
156.70396	0.5
161.02333	0.6
161.04512	0.6
165.01952	0.9
166.02701	55.3
167.03494	2.5
173.04546	2.2
175.03926	1.1
177.01900	2.3
177.05501	0.7
181.05049	67.1
182.05385	1.9
184.03725	1.1
190.06343	1.3
191.03789	0.9
191.05577	5.5
192.04262	0.9
193.05051	1.2
205.05054	1.1
205.08681	0.9
207.06726	1.1
329.10083	0.7
340.74765	0.6
341.10101	0.6
343.21066	0.7
359.11246	1.7
387.03326	0.6
387.10660	13.7
387.14590	1.6
388.10870	0.7
402.13229	6.8
417.15503	100.0
418.15964	7.1
519.32019	0.7
579.08600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71959	1.0
59.01376	100.0
71.01383	4.0
72.03935	1.1
73.02930	1.5
78.88483	1.1
84.46294	1.2
85.02956	2.2
89.02472	2.2
93.03461	3.2
95.62879	1.0
96.95362	1.2
96.96004	24.2
98.20709	2.2
101.02445	2.1
103.03634	1.0
135.54485	1.1
150.03233	1.7
151.00323	2.8
161.04500	1.2
173.04593	4.0
175.03970	1.5
178.99777	1.5
191.05643	10.8
199.03816	1.1
206.17537	1.1
211.04123	1.5
222.05464	1.1
227.03474	30.5
229.05040	3.7
235.07701	1.4
255.02948	55.0
256.03619	7.1
257.04526	2.6
263.07162	1.5
269.08270	2.0
279.06500	1.5
282.09195	1.2
284.03238	82.2
285.03958	21.8
294.08868	1.7
297.07614	8.5
308.10361	1.4
309.07666	10.8
309.11301	3.6
312.09937	8.3
323.09131	2.9
324.10040	8.2
327.12320	45.2
328.12677	4.0
339.12341	37.4
340.12704	2.5
579.13568	75.9
579.20740	2.9
580.13818	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	579.1345
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
59.01372	4.5
61.98826	1.9
62.53005	0.3
63.02418	0.6
65.00333	0.8
71.01379	2.1
73.02919	1.2
78.95889	0.8
79.95738	1.2
83.01354	0.9
85.02935	1.5
87.00883	0.4
88.98795	1.1
89.02433	1.3
93.03417	1.8
96.96000	27.3
96.96961	1.7
98.20733	0.5
98.95664	0.5
99.00252	0.5
99.00872	1.1
101.02428	1.3
107.01385	1.6
109.02965	1.3
111.00873	0.4
113.02431	1.4
119.01393	0.5
120.99619	0.5
121.02956	0.8
126.27406	0.4
133.02953	0.5
135.04510	0.6
137.02374	0.5
149.02420	1.5
150.03175	2.2
151.00337	7.2
161.04468	0.6
163.00359	1.1
165.05498	2.3
171.04417	0.6
171.90007	0.4
173.02411	0.4
173.04544	1.1
175.03955	0.8
178.99831	1.7
185.06049	0.6
187.04051	0.7
189.01865	0.5
189.05544	0.5
191.05569	6.5
195.06627	1.6
199.03967	2.8
201.01875	0.7
201.05499	0.6
203.03500	0.6
211.03990	1.0
215.03445	1.3
226.02664	1.5
227.03493	2.6
229.05037	1.1
243.02943	3.7
245.19885	0.4
254.02101	1.0
255.02904	3.3
256.03552	0.7
271.02441	51.9
272.02808	2.7
273.04080	0.8
299.01929	87.4
300.02582	13.0
301.03491	61.6
302.03812	2.9
313.03455	0.7
327.12375	1.7
343.04449	0.7
432.06903	27.7
433.07666	28.1
434.08002	1.4
447.09293	4.7
519.23804	0.8
579.13495	100.0
580.13898	8.1
592.90277	0.4
601.82007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28361	0.5
59.01373	9.6
61.98827	33.3
62.98510	0.5
63.96225	1.2
63.99249	3.4
71.01379	6.7
71.63636	0.6
72.01723	0.7
73.02934	2.0
78.95892	4.1
78.98583	4.9
79.95722	9.0
80.96510	60.1
81.96429	1.9
82.96104	2.8
85.02940	2.3
87.00859	2.2
94.98081	14.2
96.95982	1.4
96.97673	0.7
97.02953	0.9
101.02424	2.5
106.98065	2.4
122.97589	3.6
125.02412	2.3
127.04005	0.8
134.97574	4.3
136.97165	0.6
136.99147	1.1
139.40060	0.5
148.99171	4.2
152.98599	4.8
152.99673	0.9
164.98608	9.2
165.98874	1.9
206.99614	2.2
225.00717	10.1
226.01028	3.0
242.07976	1.4
243.01669	0.8
277.21841	0.8
278.22043	0.9
279.23264	59.3
280.23584	3.6
299.04306	1.8
300.04706	0.7
359.18155	0.5
374.99915	0.7
378.38806	0.5
379.28265	2.3
380.28723	2.8
381.29199	5.9
407.47955	0.6
504.30945	20.2
505.31027	1.2
576.86658	0.6
578.27094	100.0
579.26813	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	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35341	0.6
59.01373	11.2
61.98826	74.1
62.98530	1.2
62.99221	0.7
63.96207	1.2
63.99251	7.4
71.01374	5.6
73.02957	1.5
78.95895	3.6
78.98592	4.6
79.95727	8.7
80.86463	0.6
80.96510	56.0
81.03445	1.4
81.96437	2.2
82.96088	2.4
83.01366	0.7
85.02947	2.2
87.00879	1.7
94.97470	0.8
94.98078	12.9
96.96037	0.9
96.97669	1.0
97.02933	1.7
98.20722	1.5
101.02416	2.0
103.34528	0.7
106.98082	2.2
122.97598	4.1
122.98336	0.7
125.02462	2.9
127.04134	0.7
134.97575	3.6
136.99121	0.8
148.99136	4.8
152.98578	5.7
152.99664	0.9
164.98602	9.2
165.98982	0.7
166.98085	0.8
182.99770	1.2
196.47574	0.5
206.99524	1.4
225.00697	10.9
226.01096	3.7
227.00835	0.7
242.07927	1.9
243.01772	0.7
277.21817	0.8
278.21939	1.6
279.23251	75.3
280.23593	4.1
299.04333	1.5
347.98901	0.6
407.74350	0.6
504.30917	28.0
505.31296	3.3
578.27112	100.0
579.26996	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	577.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
59.01375	11.3
61.98816	1.6
69.03470	0.6
71.01367	2.6
71.63309	0.9
80.96480	0.9
85.02947	0.7
89.02419	2.4
101.02432	2.5
109.85264	0.6
161.04521	1.4
164.32152	0.7
185.55835	0.6
214.10030	0.6
225.16847	0.6
235.08156	1.9
249.63130	0.7
253.09256	12.4
253.11801	1.2
281.24832	100.0
282.25183	6.5
322.98819	0.7
352.62628	0.7
513.86566	0.6
577.26599	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	578.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12505	0.6
54.29032	0.5
55.35966	0.5
58.04909	0.5
61.98812	1.6
67.01876	1.0
69.26693	5.5
71.01367	0.6
72.67374	0.6
78.95896	23.6
85.02937	1.9
85.48094	0.6
87.00854	1.5
93.03448	7.0
94.03782	1.6
96.95999	0.8
96.96954	1.5
100.79061	0.5
106.20604	0.5
109.06559	1.4
111.04506	1.3
113.22684	0.5
132.02141	1.1
133.02930	1.3
134.03696	2.0
135.04553	2.6
136.04836	1.3
138.06767	0.9
140.01189	5.2
149.06021	1.1
151.07674	1.1
152.99573	4.4
155.03506	0.8
160.01649	1.9
161.01933	0.8
165.09171	0.8
170.05856	3.1
171.00609	1.6
173.04521	11.4
174.04886	3.0
177.01855	1.0
178.02611	1.2
179.03275	0.6
191.05585	14.7
192.05934	4.4
192.11514	1.4
196.03748	1.7
214.04832	5.3
233.19048	1.7
235.20618	2.1
239.16389	0.8
244.97873	0.6
249.18535	0.9
251.20155	10.2
259.17102	0.8
261.18674	0.9
277.18045	86.4
278.18372	5.1
279.19611	36.7
280.20023	1.6
295.19095	100.0
296.19504	6.2
306.18381	1.3
345.24667	1.1
351.06943	1.0
352.07687	0.9
363.25360	16.6
364.25650	1.0
381.26370	8.3
382.26617	0.7
386.16629	1.5
404.18018	0.7
448.15192	0.6
449.14874	0.7
492.23602	20.8
493.24042	2.0
542.84082	0.6
578.23975	2.7
578.30933	72.8
579.23792	0.8
579.31445	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	577.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15432	0.4
57.03430	1.2
59.01093	0.8
59.01377	14.6
60.99297	1.5
61.98819	0.9
67.01889	6.2
68.65275	0.4
69.03455	2.4
70.81931	1.0
71.01381	8.4
71.04967	0.4
72.99290	0.6
73.02937	1.6
74.43852	0.4
81.03447	1.5
83.01369	0.9
83.05033	1.6
84.02158	5.9
85.02950	6.5
87.00869	10.3
89.02442	4.6
93.03452	34.4
94.03799	0.6
95.01390	0.9
96.95998	0.7
97.02930	2.5
97.06586	4.7
99.00861	0.8
99.04513	2.1
101.02434	5.3
109.02936	1.3
111.00858	1.1
111.04517	5.6
113.02448	3.4
119.03494	1.5
119.08673	0.5
125.09716	1.2
127.04017	1.2
127.11285	1.0
129.01836	0.4
135.08145	0.5
137.02422	1.9
137.09711	0.7
143.03462	0.4
152.08368	0.6
152.17926	0.5
155.03477	2.1
161.04507	2.2
165.12999	0.6
171.03015	0.6
171.10248	19.7
172.05281	0.7
172.10550	0.5
173.04533	43.7
175.11261	0.6
179.05548	0.8
182.03770	1.1
183.13898	1.1
185.11832	0.8
185.35780	0.5
186.03250	0.7
186.06839	1.7
187.03999	0.5
187.07576	1.5
191.05594	62.7
192.05931	1.8
193.12297	7.1
200.04764	1.1
201.05508	1.3
201.09122	0.5
209.11790	0.4
211.07571	1.1
211.13428	1.7
213.09245	0.8
214.02837	0.9
214.06310	3.0
215.07127	2.6
221.11716	0.7
225.14929	9.6
229.08685	1.7
230.09456	0.6
233.06696	3.3
241.01375	0.9
242.02155	1.4
243.15988	3.9
245.00958	0.8
253.09262	29.0
253.14442	1.0
254.09583	1.0
270.01746	2.5
271.02570	0.5
271.79730	0.5
273.18521	0.6
283.13287	0.7
291.19632	1.6
298.00961	0.9
299.01852	0.8
309.14569	0.5
322.88095	0.5
327.15970	1.6
341.23291	100.0
342.23645	7.4
353.13657	0.9
371.14941	1.8
385.16626	1.3
396.08304	0.5
403.17688	1.8
414.09341	0.8
435.23666	2.6
453.24936	1.2
495.25888	2.4
533.29797	3.7
534.30481	0.6
545.20245	3.4
577.15430	4.5
577.23035	7.7
577.32147	1.8
578.23651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94677	0.4
55.01869	0.4
57.03446	1.6
59.01373	16.3
60.99294	1.3
61.98813	0.6
67.01873	4.1
69.03453	4.1
69.43340	3.3
71.01373	10.2
72.99300	0.4
73.02964	2.1
81.03442	1.0
83.01390	1.0
83.05019	2.5
84.02177	0.6
85.02933	6.4
87.00871	9.0
89.02444	5.2
90.41949	0.4
93.03451	30.9
94.03793	1.0
95.01393	1.0
95.04999	0.4
96.95985	1.1
97.06585	8.5
99.00890	0.9
99.04511	1.2
101.02439	6.2
102.27876	0.4
109.02935	1.1
110.59335	0.4
111.00862	1.0
111.04516	4.7
113.02448	3.6
119.03494	1.4
119.05017	0.8
125.02436	0.5
125.09701	1.3
127.04012	1.2
129.01929	0.5
133.81778	0.4
137.02397	1.9
137.09738	0.5
143.03465	0.9
147.04446	0.4
155.03477	2.2
161.02382	0.4
161.04532	3.0
163.00366	0.5
163.07628	0.5
171.10271	4.9
172.05324	0.8
173.04541	43.0
173.05931	1.4
174.04904	1.3
174.06686	0.6
175.07542	0.5
175.11166	0.5
177.01961	0.4
177.09294	0.4
177.12819	0.7
179.05606	0.7
183.04509	0.5
185.11880	0.6
186.06786	2.1
187.03979	0.5
187.07648	1.7
191.05605	56.2
192.05945	1.6
193.12321	11.8
193.14098	0.7
197.06029	0.8
200.04836	0.5
201.05591	1.6
201.09192	0.9
202.06349	0.9
203.07095	0.7
209.11691	0.6
211.07628	0.8
211.13382	2.7
213.09219	0.5
214.02753	0.6
214.06340	3.4
215.07120	2.0
221.11723	0.6
225.14934	17.9
226.15247	0.5
227.07149	0.5
229.08643	2.7
230.09410	0.6
231.10139	0.4
233.06664	2.1
241.01509	0.8
242.02092	0.8
243.02190	0.4
243.15962	8.3
244.10995	0.4
244.16315	0.5
245.00871	0.4
253.09261	28.4
253.14491	1.8
254.09499	1.1
270.01715	1.2
271.02325	0.9
274.08408	0.7
288.09760	0.5
291.19611	1.2
298.01205	0.8
298.38724	0.5
299.01703	0.6
305.21115	0.5
309.14877	0.6
311.12805	0.8
311.21677	0.5
312.02420	1.1
313.03278	1.4
314.03848	0.9
327.15872	0.9
337.01700	0.4
341.23282	100.0
342.23676	5.7
353.13937	0.5
371.14810	2.9
372.15210	0.6
385.16592	2.8
386.16916	0.5
403.17560	1.8
447.13425	0.4
459.09946	0.4
460.09518	1.6
517.33301	0.7
533.29364	1.1
545.20355	4.4
546.20416	0.5
577.15686	2.6
577.22754	6.4
577.36389	4.4
578.22968	0.8
578.36218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53377	0.6
57.03466	1.3
57.71238	0.6
59.01374	26.0
60.99327	1.0
61.98854	1.0
67.01880	4.1
68.15240	0.6
69.03465	1.6
71.01379	15.1
71.05065	0.6
72.99335	0.9
73.02946	14.7
78.95927	1.0
81.03474	1.2
83.01368	3.4
83.05035	1.5
85.02943	11.8
87.00865	8.7
89.02479	2.7
91.92243	0.7
93.03450	28.0
95.01399	1.3
96.41748	0.6
96.96043	1.8
97.02973	0.7
98.20621	0.6
99.00904	1.2
99.04531	0.8
101.02438	10.7
109.02987	1.7
111.00865	0.8
111.04516	3.5
113.02425	3.7
113.09734	2.8
115.04021	6.8
116.92894	1.2
119.03505	0.8
127.04035	1.9
131.03577	0.8
135.04538	1.1
137.02461	1.4
155.03477	2.8
158.03654	0.7
159.04477	0.7
161.04523	1.0
171.03012	0.6
171.66931	0.7
173.04533	34.7
174.04964	0.8
179.03477	1.3
182.03673	0.7
186.03186	1.2
186.06764	1.5
187.04080	0.7
187.07608	0.9
188.08725	0.6
191.05592	100.0
192.05945	3.1
198.03343	0.6
200.04791	0.8
201.05591	0.9
201.09238	1.3
211.07657	1.3
211.13333	1.9
214.02740	3.2
214.06325	2.3
215.06979	1.9
227.06995	0.7
227.10683	0.8
229.08633	1.7
230.09343	1.0
233.06578	1.7
241.01465	3.5
242.02191	6.9
245.00836	2.6
255.13712	0.7
270.01648	9.4
271.02301	1.8
283.13361	1.3
293.21173	1.8
298.01190	5.1
299.01758	2.2
311.12692	0.9
311.22247	13.5
327.15845	2.4
329.23209	0.6
331.15341	0.8
341.17334	0.7
341.23300	0.8
353.14011	1.4
359.14709	1.9
359.18811	1.0
371.14771	2.5
385.11987	3.2
385.17169	3.8
396.08157	1.8
397.09048	0.7
403.13062	0.8
403.17563	2.5
414.09586	3.7
415.09637	1.1
473.27493	0.9
485.53983	0.8
491.28348	2.6
533.29614	60.9
534.29730	5.4
545.20349	4.4
546.20404	0.7
559.14276	1.3
577.15057	21.8
577.22406	2.8
577.31696	1.7
578.15613	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	577.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01368	2.7
60.99306	2.1
61.98831	1.1
65.03944	0.6
67.01886	9.2
67.30558	0.4
67.96064	0.4
69.03442	3.2
71.01377	5.0
71.20429	1.0
71.98393	0.5
76.54819	0.5
81.03464	1.8
83.05028	1.8
85.02941	3.4
87.00867	6.7
93.03452	54.5
94.03799	1.2
99.00864	1.1
99.04522	0.8
99.34002	0.5
105.03421	0.7
107.05016	0.8
108.02155	2.9
109.02954	2.1
111.00883	1.5
111.04517	7.5
113.02470	0.8
121.02972	2.1
122.03736	0.9
123.57990	0.5
124.01644	6.7
125.02466	3.7
126.03240	2.6
127.04003	0.9
129.01891	1.0
132.02150	0.7
132.30591	0.5
133.02942	6.0
134.02701	0.7
134.03731	14.6
135.04518	100.0
136.04947	1.9
137.02443	5.6
139.04054	0.5
150.03226	4.0
151.03995	15.6
155.03461	2.7
158.03941	0.4
160.01633	1.5
161.02444	2.0
173.04529	81.4
174.04881	1.2
177.01904	2.1
177.05528	0.7
178.02669	4.8
179.03482	22.6
180.04231	3.6
181.04930	0.5
185.02554	0.5
191.05594	35.7
192.04250	1.9
192.05925	1.1
194.02112	0.6
215.05511	0.6
290.07962	2.6
306.07486	0.8
307.08148	6.9
308.08954	27.4
309.09387	1.4
323.07706	1.1
351.07028	3.6
352.07959	23.5
353.08289	1.6
359.18564	1.1
385.16522	7.2
386.16812	0.6
403.17551	3.6
408.64310	0.5
577.22742	13.1
578.23163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09994	0.5
53.85860	0.5
54.89891	0.5
57.03443	0.7
59.01371	2.8
60.99286	0.9
61.98816	2.9
67.01889	7.5
67.17037	0.7
69.03439	1.6
71.01389	4.7
71.33871	1.0
71.94161	0.6
78.02937	0.6
78.49027	0.6
79.86906	0.6
81.03465	1.4
83.04997	1.1
85.02954	3.2
87.00883	4.7
88.43407	0.6
93.03451	43.0
94.03780	0.8
99.00851	0.9
105.03438	1.0
107.05010	0.8
108.02166	3.0
109.02946	2.2
111.00862	1.7
111.04513	5.9
121.02968	2.3
122.03770	1.5
124.01643	6.7
125.02457	3.3
126.03180	2.1
127.03997	1.6
132.02110	0.8
133.02936	5.5
134.02711	0.7
134.03734	15.2
135.04514	100.0
136.04832	1.8
137.02428	7.3
139.03954	0.7
150.03192	4.1
151.03986	15.3
155.03482	3.9
160.01685	1.2
161.02399	1.6
162.03255	1.3
169.73949	0.8
173.04529	79.6
174.04907	1.7
177.01932	2.5
178.02693	7.5
179.03494	21.7
180.04306	3.5
189.05632	0.9
191.05591	35.0
192.04248	2.0
192.05901	1.0
215.05688	0.9
218.45584	0.6
226.30763	0.8
290.07864	1.6
299.02011	1.0
306.07413	1.2
307.08127	7.8
308.08966	24.0
309.09198	1.2
323.07599	0.8
349.27505	1.1
351.07190	2.8
352.07938	22.8
353.08405	1.3
359.18683	0.8
385.16592	7.8
386.16797	0.8
403.17654	3.6
411.13840	0.6
417.03192	0.8
478.20621	1.8
478.70517	1.0
537.07129	0.7
577.22943	5.2
578.33929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.1
61.98839	0.6
65.37869	0.4
71.01365	1.7
73.02946	0.6
78.95893	7.0
78.98571	1.1
79.95733	1.9
80.96512	14.6
81.03427	0.4
85.02930	0.5
87.00906	0.6
94.98073	3.6
96.87637	0.3
96.96056	0.3
101.02465	0.6
106.98043	0.7
116.10255	0.4
122.97559	1.1
124.72050	0.4
132.97092	0.4
134.97577	1.0
148.99086	0.8
152.98587	1.4
152.99599	1.2
164.98625	2.5
168.04288	1.9
180.42989	0.4
182.99599	0.4
206.99629	0.9
224.06885	1.3
225.00766	3.3
233.22769	0.4
242.07935	3.1
259.20499	0.5
268.56586	0.4
275.20258	0.5
277.21686	100.0
278.22015	5.5
502.29352	41.8
503.29541	3.2
569.30994	0.4
576.25458	1.9
577.26813	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.4
59.10353	0.2
69.34144	1.4
71.01364	0.2
74.99736	0.2
78.95896	5.9
96.96956	0.2
98.20569	0.3
98.40317	0.1
109.08969	0.1
112.89930	0.1
127.07615	0.2
152.99567	1.8
167.01671	0.1
168.04312	1.7
181.10345	0.2
224.06909	1.0
233.22726	0.4
242.07951	3.3
259.20599	0.5
275.20090	0.5
277.21683	100.0
278.22021	5.8
370.45737	0.1
502.29358	41.8
503.29691	3.6
517.25446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12140	0.2
57.69632	0.2
59.01366	0.4
61.65137	0.2
61.98825	100.0
71.01383	0.8
78.98598	0.4
79.95741	0.8
80.96510	5.8
80.96989	0.3
85.02941	0.2
87.00858	0.3
94.98067	1.0
98.20663	0.4
106.98099	0.4
122.97602	0.6
125.02444	0.2
128.05540	0.2
134.97606	0.4
148.99182	0.7
152.98669	0.6
164.98630	1.0
206.99693	0.3
225.00665	1.4
229.61517	0.3
277.21860	0.8
278.22073	1.0
279.22385	0.7
280.22839	0.5
396.79886	0.2
577.26807	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	576.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04069	0.2
54.68538	0.2
59.01372	0.6
61.98826	100.0
69.59569	0.2
70.85489	0.7
71.01389	0.5
72.62127	0.2
78.11064	0.2
78.95897	0.4
78.98583	0.4
79.95740	1.0
80.96506	5.6
81.23056	0.2
94.98072	1.2
101.02457	0.3
109.52234	0.2
122.97594	0.5
125.02449	0.6
134.97580	0.5
136.99110	0.3
151.00388	0.6
152.98668	0.4
156.94896	0.2
164.98643	0.8
178.99873	0.4
225.00719	1.3
240.31021	0.2
246.26817	0.2
250.84653	0.2
277.21686	0.9
278.22141	0.9
279.22446	0.7
328.10648	0.4
446.14871	0.4
506.99026	0.3
577.26758	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	576.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02060	1.0
59.01375	21.4
60.99253	1.0
61.98794	4.7
67.01852	3.9
69.03436	2.4
69.43134	8.0
71.01373	8.7
72.99306	1.1
73.02913	4.6
78.22125	1.0
81.03408	1.8
83.01333	2.1
83.04975	1.3
85.02956	7.5
87.00879	8.0
89.02421	4.9
93.03446	29.6
96.95934	3.6
97.02884	1.7
97.06584	7.8
99.04482	1.9
101.02420	5.7
102.37785	1.1
109.02889	2.9
111.00797	2.3
111.04440	4.7
113.02376	4.6
115.56341	1.0
116.05038	9.3
119.03402	2.3
119.05011	6.8
120.05293	3.0
121.02907	1.4
125.02368	1.8
127.03897	0.9
133.02791	1.3
135.00818	1.7
137.02335	3.9
139.03889	1.4
148.01611	2.2
149.02333	4.7
151.00316	1.8
155.03357	3.3
159.04341	1.7
161.02351	2.9
161.04445	1.6
163.00352	13.3
163.04025	5.9
164.04282	2.1
165.01791	1.5
171.04384	1.6
171.10133	4.2
173.04529	45.9
173.05937	2.6
175.00204	4.1
176.01166	9.2
177.01825	2.1
178.99657	1.1
183.04372	2.8
185.05991	2.3
186.02971	1.1
186.06628	1.5
187.03815	2.3
187.07512	1.8
190.99725	2.1
191.05594	52.5
193.12358	6.1
195.04530	1.2
196.05193	1.4
197.05962	1.9
198.02966	1.7
199.03918	2.1
200.04680	1.4
201.05290	1.5
204.00439	1.9
209.11737	2.4
211.03943	8.5
211.07452	1.3
212.04623	1.2
213.01796	1.2
213.05476	5.5
214.02557	4.1
214.06105	2.5
215.03462	8.7
215.06938	3.0
217.04868	2.0
223.03694	1.2
225.14931	11.7
226.02538	1.7
227.03264	4.3
228.04086	2.6
229.04842	2.9
229.08472	2.7
233.06500	1.9
239.03261	4.8
240.04045	3.2
241.01199	3.7
241.05014	7.6
242.02095	10.8
243.02682	7.8
243.15761	4.3
245.00658	3.4
246.01013	1.4
253.09236	16.5
255.02985	7.1
256.03711	9.3
257.04517	10.1
267.00183	1.2
267.02884	15.1
268.03549	2.3
269.04401	2.3
270.01654	13.3
270.04620	1.6
271.02249	8.8
283.02444	42.3
284.02985	6.7
285.03989	18.0
287.46271	1.4
295.02148	3.7
297.03690	1.7
298.00867	4.3
299.01315	3.4
300.02072	1.6
311.01971	16.2
311.12897	1.8
312.02713	44.4
313.03482	95.5
314.03784	5.7
341.23260	66.1
371.14587	3.5
385.16177	1.6
396.08286	1.2
397.08826	2.8
398.09302	1.3
403.17032	2.9
423.57111	1.1
429.08136	15.7
430.09137	20.9
431.09573	2.0
459.09256	100.0
460.09500	8.2
532.27917	4.7
533.29364	1.4
542.77972	1.2
544.14807	1.6
545.19757	3.1
575.32336	1.6
576.15112	56.5
576.32239	3.8
577.14337	7.8
577.22266	5.3
577.31616	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	575.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04121	1.3
55.01863	2.3
56.90412	1.2
57.03444	1.8
58.00584	3.2
59.01377	52.6
61.98518	1.7
61.98825	26.9
69.30269	4.8
69.30692	7.7
71.01379	50.9
72.99320	3.5
73.02934	9.6
73.82922	1.4
83.01395	5.1
85.02944	14.5
87.00861	3.6
89.02443	26.7
93.03465	1.8
95.01384	2.8
95.02538	1.2
96.95969	1.8
97.02924	2.7
99.00861	5.3
101.02431	28.8
110.54327	1.3
111.00884	3.2
113.02437	11.5
117.42825	1.3
119.03432	1.4
125.02424	4.0
131.03487	16.4
135.04494	1.3
143.03433	1.5
148.59027	1.5
149.04527	9.8
153.19514	1.3
159.03009	1.5
161.04541	13.6
173.04530	3.0
191.05605	5.0
211.96022	1.3
233.06631	2.4
253.09187	3.7
293.08621	2.6
293.21295	7.2
383.24298	15.3
515.28558	100.0
516.28979	8.2
575.34454	2.2
602.53558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03437	1.7
58.00595	2.9
59.01375	100.0
60.01703	0.8
61.98808	0.8
68.65736	0.3
69.03451	1.2
69.39270	2.7
71.01376	54.3
72.01717	0.5
72.99299	3.3
73.02943	23.3
75.00863	0.7
78.95898	12.1
79.95732	0.8
80.02673	0.4
80.96499	2.5
81.03445	0.8
83.01379	7.2
83.05029	2.2
84.02158	0.6
85.02428	0.6
85.02944	10.5
87.00874	3.4
89.02437	49.7
93.03462	0.6
94.98058	0.9
95.01379	3.6
96.96009	2.3
96.96950	2.5
97.02930	1.2
99.00883	1.7
99.04536	0.6
101.02435	36.5
102.02828	0.3
107.01401	0.3
107.03500	0.4
113.02441	27.7
117.01948	0.3
119.03488	19.3
125.02414	1.5
131.03506	5.3
135.08162	0.4
143.03487	5.7
147.02954	0.4
149.04532	5.4
151.00323	0.7
152.98335	0.7
152.99574	14.8
155.03448	0.7
161.02490	0.5
161.04536	9.9
163.11327	2.0
165.12849	1.3
171.00639	0.4
173.04504	1.1
179.05592	8.5
181.12349	0.4
185.89938	0.3
188.69734	0.4
191.05595	3.3
192.05894	0.3
201.61211	0.3
203.05553	0.9
205.76706	0.4
209.11801	30.0
210.12109	0.9
221.06635	1.2
223.00110	1.3
225.00691	0.4
227.12862	2.9
241.01163	5.6
259.15356	0.4
295.57025	0.4
315.04791	1.7
422.65662	0.3
471.25369	0.8
489.27435	0.4
531.27710	0.4
543.18213	2.2
557.18884	1.6
575.20905	35.3
576.21313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
56.12968	0.3
57.03454	1.9
58.00583	2.3
59.01376	100.0
59.05337	0.3
60.01707	0.8
61.98823	1.0
69.03452	1.0
71.01377	55.8
71.62453	0.4
72.01730	0.5
72.99302	3.7
73.02943	18.5
75.00876	1.3
78.95909	1.2
78.98591	0.7
79.95732	1.9
80.96509	7.7
81.03447	0.8
83.01376	6.2
83.05002	0.5
84.02181	0.4
85.02946	14.7
87.00868	3.4
89.02439	44.7
90.02747	0.5
93.03454	2.7
94.98073	1.9
95.01386	5.4
96.96008	5.3
97.02965	0.8
99.00866	2.1
101.02438	37.1
102.02788	0.5
103.04053	0.3
106.98107	0.4
109.02970	0.5
111.04471	0.4
113.02443	36.8
119.03494	16.9
122.97575	0.5
125.02443	2.0
127.03994	0.6
131.03493	4.7
134.97548	0.7
143.03493	5.4
147.02980	0.4
148.99118	0.7
149.04541	4.8
150.03131	0.3
152.98509	0.5
152.99591	1.0
153.81958	0.3
155.03433	0.4
161.02397	0.9
161.04533	10.7
164.98621	1.6
171.37172	0.3
173.04541	2.6
179.05597	9.7
189.13086	0.4
191.05612	6.9
192.05725	0.4
203.05482	0.5
209.11765	1.5
221.06653	1.0
225.00694	3.1
299.04800	0.4
314.99692	0.6
360.81900	0.3
413.14255	1.2
467.21063	0.4
471.25967	1.2
483.16837	0.3
489.26492	0.5
491.19055	0.4
495.05927	0.6
515.24915	6.0
516.25116	0.5
525.16248	0.8
533.26074	3.9
534.25867	0.4
543.17352	2.1
557.19080	3.5
575.20050	14.9
576.20581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2109
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
55.01863	0.9
55.81924	0.6
57.03433	0.8
57.66546	0.5
58.00576	1.7
58.72671	0.5
59.01377	46.5
60.00150	0.5
66.89314	0.6
71.01378	24.9
72.99309	1.3
73.02943	12.4
78.95900	32.6
80.02650	0.7
80.96500	3.0
81.03445	1.5
83.01381	3.9
83.05022	6.0
84.02174	0.7
85.02948	6.5
87.00867	1.1
88.98848	0.6
89.02441	25.2
91.04706	0.5
93.03444	0.7
95.01395	1.4
95.05011	1.1
96.95983	1.7
96.96954	5.9
99.00881	0.5
99.04465	0.7
101.02435	19.0
113.02439	12.1
119.03504	8.4
125.02436	1.0
125.06085	0.8
131.03493	2.4
143.03476	2.7
149.04579	2.7
152.99576	40.1
161.04555	5.5
163.11273	4.3
165.12856	2.7
171.00598	1.7
173.04565	0.8
179.05554	4.4
181.12190	0.7
191.05508	2.6
191.10735	1.4
209.11810	69.9
210.12155	2.8
223.00122	4.5
225.00652	1.2
227.12885	7.0
228.58659	0.5
241.01178	16.1
259.02267	0.8
259.15591	0.7
277.29626	0.5
286.56009	0.5
315.04871	4.9
413.14560	0.7
502.11185	1.2
525.16040	0.8
543.18542	4.2
557.19122	1.8
575.21027	100.0
576.21191	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	575.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03430	2.5
59.01092	1.6
59.01376	28.6
69.03464	1.2
69.52367	1.6
69.52769	5.9
71.01380	29.0
72.99323	1.0
73.02936	11.1
73.62871	0.9
78.98591	6.4
79.95731	13.1
80.96511	62.5
81.03421	0.9
83.01403	6.2
83.65347	0.8
85.02943	15.7
87.00865	5.6
89.02456	6.3
93.03448	4.3
94.98077	12.6
95.01367	2.9
96.96014	4.5
97.02943	2.5
98.20595	1.6
99.00851	4.0
101.02434	18.0
106.98070	2.4
107.01398	1.4
113.02438	12.0
119.03477	1.6
121.02893	1.2
122.97556	5.2
125.02431	6.7
126.90443	2.1
127.04012	2.0
131.03447	1.0
134.97534	3.6
135.04530	1.0
143.03458	2.9
145.45757	0.9
148.99146	5.2
149.04526	1.5
151.00392	4.2
152.98654	7.8
161.04512	6.8
164.98621	12.7
171.10281	4.7
173.04504	4.5
174.91307	1.1
178.99881	5.8
179.05556	1.0
182.99661	2.4
191.05582	9.4
206.99622	3.6
209.15382	3.0
225.00708	23.8
243.01753	3.0
245.06474	1.5
296.10632	0.9
297.11163	1.2
299.04364	3.6
337.03436	1.2
338.07913	1.1
341.10175	1.1
353.10349	1.3
354.30212	0.9
371.11212	1.5
371.20670	12.3
372.20996	1.1
413.21500	1.4
453.57809	1.7
471.15359	100.0
472.15546	4.9
499.18484	1.2
515.24683	6.0
516.32391	1.1
529.19830	1.3
533.25934	20.5
534.26312	1.2
543.17157	1.1
557.18707	6.9
575.19855	36.8
575.27435	5.0
576.20319	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	575.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76182	0.4
59.01371	9.3
63.96226	1.3
67.01885	0.9
69.03451	1.4
71.01377	11.7
71.62956	0.6
71.63316	0.9
72.13279	0.4
72.99294	0.7
73.02947	3.5
78.95911	0.7
78.98586	6.6
79.95728	12.0
79.96185	0.9
80.96510	66.9
81.03439	1.1
83.01363	1.1
85.02944	5.4
86.99699	0.6
87.00867	3.7
89.02426	2.3
93.03458	3.0
94.98075	17.1
95.01368	1.2
95.85389	0.5
96.95995	6.8
96.96971	0.7
97.02950	2.2
98.95582	0.8
99.00871	2.0
101.02431	6.7
106.98070	3.5
111.04494	0.9
113.02408	3.2
119.03508	0.7
119.05066	0.5
120.99648	0.6
122.97573	5.3
125.02420	4.4
127.03938	1.0
134.97578	5.0
135.04539	0.6
136.99118	2.2
137.02470	0.5
143.03517	0.6
148.99094	5.8
151.00352	1.3
151.01936	0.5
152.98616	7.6
152.99710	0.8
160.01707	0.5
161.02472	0.7
161.04512	1.1
164.98608	14.6
167.00139	0.8
171.10246	1.7
173.04527	5.9
182.78731	0.6
182.99591	3.3
191.05592	11.5
192.05984	0.7
206.99648	4.4
219.03026	0.7
225.00719	30.3
225.11288	1.0
243.01768	1.6
299.04404	4.4
314.99670	4.5
315.99908	0.6
317.04965	0.6
401.14334	0.7
450.26642	0.5
471.15439	1.5
471.25858	1.7
485.17184	0.6
495.05988	5.8
525.16699	4.1
543.17462	46.2
544.17676	3.2
557.18915	5.1
575.20099	100.0
576.20465	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	575.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53578	0.4
59.01369	4.8
61.67851	0.5
61.98812	1.4
63.96226	1.2
69.03443	0.8
69.60706	3.6
71.01377	9.8
71.04986	0.6
72.99304	0.9
73.02949	3.6
78.95901	1.5
78.98587	5.0
79.95730	10.9
80.84161	0.5
80.96510	69.0
81.03443	1.1
81.10989	0.5
83.01366	0.7
85.02943	5.0
87.00868	3.7
89.02422	1.3
93.03455	3.2
94.98077	17.7
95.01363	0.6
96.96001	4.1
97.02924	1.3
99.00883	1.2
101.02445	4.8
106.98087	3.8
107.01262	0.6
109.02920	0.5
113.02415	1.8
119.03467	1.0
122.97580	5.9
125.02432	5.1
127.03999	2.0
133.02982	1.0
134.97568	4.5
135.04535	0.7
136.99118	1.1
137.02409	0.8
138.97032	0.5
146.97591	0.7
148.45450	0.5
148.99123	6.9
149.04446	0.5
152.98628	8.0
152.99840	0.7
161.02417	4.4
161.04471	0.6
164.98615	12.7
167.00133	0.6
171.10275	0.9
173.04510	4.2
182.99686	3.2
191.05586	12.2
192.05850	0.8
202.62915	0.5
206.99658	4.4
207.10223	0.6
221.04454	0.7
225.00711	28.7
225.11353	0.5
226.00827	0.7
243.01614	2.6
248.43672	0.5
249.94000	0.5
254.63368	0.5
299.04382	4.7
380.85699	0.6
413.14575	3.7
471.15344	1.4
485.16727	0.9
497.16934	0.9
515.17993	1.0
525.16431	3.7
543.17468	44.5
544.17841	3.2
557.19263	2.4
575.20062	100.0
576.20313	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	575.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63214	0.4
54.70287	0.5
54.79884	0.4
57.03448	0.5
58.00583	0.9
59.01091	0.7
59.01376	13.0
59.20554	0.5
61.98832	0.8
63.96222	1.3
69.03445	0.8
69.82638	2.3
71.01376	13.3
72.99279	0.7
73.02933	5.4
78.94713	0.4
78.95870	0.9
78.98582	7.4
79.95264	0.7
79.95728	14.0
80.96508	79.0
81.03443	1.2
83.01369	1.4
85.02950	5.6
87.00875	3.5
89.02430	4.5
93.03457	1.0
94.98078	19.2
95.01370	1.0
96.96008	3.3
97.02959	1.6
99.00880	1.0
99.04516	0.5
101.02430	6.1
106.98080	3.4
106.99917	0.5
109.02934	0.6
109.06585	0.6
111.00881	0.5
113.02444	3.4
119.03503	2.0
122.97573	6.0
125.02463	4.0
127.04015	1.5
134.97580	6.6
136.99135	1.8
143.03468	0.6
148.99138	6.6
149.04434	0.5
151.00365	0.9
152.98602	8.3
161.04527	1.1
164.97281	0.8
164.98610	12.4
167.00175	0.9
171.10249	6.1
173.04510	1.4
178.99870	0.8
179.05534	0.6
179.54404	0.5
182.99608	3.1
191.05586	5.3
203.12857	0.6
206.99609	4.7
207.10297	0.6
225.00710	29.9
225.11125	0.7
243.01686	2.5
299.04498	4.3
307.14334	0.5
453.57809	0.9
471.15341	100.0
472.15677	6.1
499.18497	1.9
521.70007	0.5
525.16235	1.3
529.19476	1.4
543.17694	1.0
557.18982	16.9
558.19202	1.7
573.18512	0.7
575.20062	41.8
575.64417	0.6
576.20483	3.5
595.27191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73230	0.7
56.54955	0.5
57.03479	1.4
59.01112	1.1
59.01438	13.9
69.03505	1.4
71.01029	0.9
71.01455	13.5
72.99382	0.9
73.03016	4.2
73.49144	0.7
75.00900	0.8
78.98669	5.9
79.95815	14.0
80.95837	2.0
80.96597	66.2
81.03496	0.7
83.01441	1.8
85.02949	6.2
87.00960	3.1
89.02445	3.5
93.03548	2.8
94.98075	16.2
95.01446	1.3
96.96017	5.4
97.03049	2.5
99.00959	1.9
101.02435	6.8
106.98186	2.7
109.03043	1.1
113.02447	5.3
119.03569	1.8
122.97578	6.1
125.02464	4.2
127.04086	1.7
130.85861	0.7
134.97595	5.1
136.99245	2.0
137.02550	0.9
143.03561	1.0
147.04538	1.1
148.99135	6.5
151.00400	1.1
152.98610	7.3
155.03607	0.9
161.04694	1.9
164.98602	13.3
171.10262	5.6
173.04535	5.5
174.37643	0.7
178.99858	1.4
179.05635	1.3
182.99756	2.2
183.14006	1.2
191.05623	7.0
206.99664	3.7
225.00720	27.1
227.12988	1.7
243.01883	2.4
297.07761	0.8
299.04468	5.1
313.10934	1.0
341.10394	0.8
353.10410	1.0
383.07782	1.0
401.17874	0.7
453.58087	1.1
455.26443	1.1
471.15363	100.0
472.15836	5.5
473.27634	0.9
515.28522	1.4
525.16705	1.6
529.19446	1.5
533.25793	1.5
557.19141	15.9
575.20062	53.1
576.20245	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	574.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32628	0.2
55.11522	0.2
55.79591	0.2
58.65464	0.2
59.01378	1.4
61.98824	100.0
62.98503	0.2
66.81391	0.2
69.34783	1.5
71.01379	0.4
85.02961	0.3
93.03463	0.4
96.96010	0.3
101.02440	0.3
116.07173	0.5
140.41258	0.2
173.04570	0.4
191.05586	0.3
232.01091	0.2
430.71475	0.3
433.21368	0.2
574.35950	1.8
575.34576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93367	0.2
61.98822	1.0
70.34490	0.3
71.63255	0.4
78.95897	4.3
79.95723	2.6
96.96002	100.0
115.66175	0.3
136.93155	0.3
140.01186	0.5
141.02107	0.3
152.99522	0.7
178.94312	0.6
196.03745	1.3
243.13911	0.3
275.82657	0.3
279.23239	5.8
280.23734	0.4
476.27850	1.9
543.57349	0.3
568.32990	0.3
574.24237	1.8
575.24908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79690	0.5
51.03079	0.5
56.68974	0.5
58.00592	0.8
59.01376	100.0
61.98815	3.0
65.49271	0.6
69.03452	0.6
69.59335	3.7
70.30576	0.5
71.01383	15.1
71.74173	0.5
72.99263	0.6
73.02942	17.9
77.39457	0.5
83.01380	4.8
85.02947	3.1
86.05341	0.5
87.00896	1.0
87.13529	0.6
88.98805	0.9
89.02438	6.4
93.03439	1.1
95.01372	0.8
96.96005	5.1
98.19876	1.3
99.00850	0.7
101.02441	14.5
113.02455	4.2
119.03503	1.6
125.02515	0.6
131.03505	1.2
137.09772	0.6
161.04541	2.5
162.81587	0.5
173.04544	1.4
179.05496	0.7
191.05598	2.4
201.16788	0.6
289.18082	1.3
307.19171	8.0
309.20691	1.2
439.48178	0.6
469.24380	1.6
487.25620	2.9
489.98376	0.7
509.75195	0.6
511.25375	4.8
529.26495	97.3
530.26935	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	573.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52514	5.0
57.00192	5.6
57.74073	4.3
58.59023	5.1
59.01374	57.4
61.98827	54.7
68.92715	4.6
71.01382	40.5
71.62712	7.6
73.02963	5.8
80.96509	12.8
82.34728	5.0
82.95416	7.9
85.02950	10.5
88.98804	5.7
89.02443	43.7
89.12884	4.2
93.03436	11.7
96.95999	35.5
98.95560	5.4
101.02448	21.9
104.65224	4.9
109.03016	5.0
111.00880	6.5
113.02454	10.9
116.92841	6.6
119.03452	13.0
119.04962	4.5
125.97201	5.4
129.84117	4.8
132.18182	4.8
135.64302	4.8
136.01610	7.3
143.03423	6.2
149.02428	9.1
151.04013	15.9
161.04518	5.0
165.05510	8.5
173.04488	14.3
179.05562	14.2
187.03957	5.7
191.05591	37.0
193.30237	4.6
195.06506	11.3
203.07288	5.1
207.19771	5.4
253.04471	6.1
306.08655	5.2
324.10117	12.2
327.12369	36.2
339.12271	89.0
375.14258	19.0
513.25482	11.2
519.18939	8.3
537.19690	100.0
538.20044	9.1
541.15558	8.9
573.17120	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	572.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59231	0.3
55.72452	0.3
57.93439	0.3
59.01378	0.8
61.98825	100.0
69.35388	2.6
69.35813	0.7
90.74146	0.3
136.25047	0.3
173.04471	0.4
196.06389	0.4
204.34419	0.4
211.34628	0.3
393.61346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98815	0.7
69.33083	2.0
78.17815	0.2
78.95894	6.6
79.81960	0.2
79.95731	3.0
93.10040	0.2
96.96003	100.0
110.12357	0.2
112.37507	0.2
136.93243	0.3
140.01173	0.7
152.99594	0.4
153.28171	0.3
175.63379	0.2
178.94321	1.5
196.03769	1.7
201.86255	0.2
221.12494	0.2
277.21680	5.1
278.21933	0.3
294.00467	0.2
312.01712	0.9
369.24973	0.2
397.14758	0.3
438.72198	0.2
474.26260	2.2
512.21423	0.3
551.94092	0.2
572.22894	3.1
573.23883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.8
60.48398	1.1
61.98823	2.4
63.65879	1.2
69.83281	6.0
71.01385	4.2
71.49579	1.2
71.83965	1.2
74.84915	1.2
78.95901	6.8
79.95707	1.6
82.50825	1.2
85.02942	1.3
89.02453	4.2
96.96010	48.1
101.02454	3.6
113.02431	2.3
122.63829	1.3
152.99591	2.1
161.04535	2.1
177.16588	1.4
203.33310	1.2
231.21159	2.7
235.08194	1.8
253.09283	20.1
275.20123	100.0
276.20477	4.7
445.49283	1.3
474.26053	2.8
512.20801	3.0
571.28680	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	571.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14742	0.7
55.01863	1.0
59.01374	100.0
61.98811	2.9
67.01788	0.7
69.38165	3.2
69.38596	3.9
71.01376	12.0
73.02937	4.0
79.15577	0.7
83.01382	1.6
85.02942	6.9
85.44563	0.8
87.04506	1.7
89.02432	1.4
93.03417	1.9
95.01376	1.4
96.95996	2.2
98.20643	1.7
99.00865	2.3
101.02430	7.5
111.49260	0.8
113.02438	6.3
125.02448	1.0
135.08167	0.8
159.02994	1.1
161.04483	3.5
173.04517	3.7
191.05574	3.2
219.18867	0.8
467.30093	19.2
468.30478	1.5
485.31219	10.4
527.32098	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	571.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.81989	0.5
57.03441	1.1
58.00584	1.6
59.01376	75.6
60.01706	0.7
61.98820	1.9
69.03448	1.7
71.01379	40.6
71.63329	0.6
72.99293	1.9
73.02942	28.6
78.95888	0.9
79.13311	0.5
79.94946	0.6
81.03445	1.4
83.01389	4.7
85.02948	8.2
87.00874	2.0
89.02437	44.3
89.32473	0.6
93.03417	1.3
95.01381	2.6
96.96004	1.7
97.02941	2.3
99.00874	100.0
100.01191	1.3
101.02434	18.2
111.00851	1.0
113.02438	19.1
119.03478	3.8
121.02996	0.8
124.57717	0.6
125.02454	6.2
131.02498	0.9
131.03494	15.4
135.74792	0.6
137.02376	0.7
143.03468	4.6
149.04544	51.6
155.03517	4.5
161.04538	10.0
173.04512	2.1
175.46223	0.5
191.05595	50.4
192.05809	1.2
200.04431	0.6
203.05595	23.1
217.15999	1.4
227.55231	0.7
233.06644	7.8
275.07843	0.7
293.08841	1.2
335.09583	2.3
353.10629	0.6
447.18060	0.6
494.60587	0.7
511.25192	0.9
527.25000	3.0
529.26324	4.6
571.27319	7.7
572.27094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12355	1.6
55.11398	1.6
56.42966	1.7
59.01374	100.0
61.98817	6.1
63.09061	1.7
65.41094	2.1
71.01376	25.6
73.02942	26.9
80.96505	4.4
83.01381	9.9
85.02943	6.3
87.00874	3.2
87.04507	7.0
87.17624	1.8
89.02423	11.9
93.03445	5.3
96.96002	23.4
99.00876	1.8
99.04485	2.2
101.02440	21.7
113.02446	15.4
119.03490	4.4
131.03336	2.0
133.05063	2.9
143.03465	3.5
147.98758	1.6
149.04538	3.1
161.04532	6.4
168.07840	4.5
173.04532	8.5
191.05603	15.6
236.72626	1.9
271.16833	3.2
289.17822	2.9
421.22372	3.5
433.22095	5.3
451.23267	13.1
469.24173	2.8
493.24310	31.9
511.25317	26.6
571.20502	6.2
571.29352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30823	0.1
59.01094	0.2
59.01377	3.8
61.98817	0.2
62.17713	0.1
71.01367	0.5
71.62979	0.2
73.02953	0.2
78.95892	1.3
79.95729	2.8
83.01376	0.2
83.61664	0.1
85.02939	0.2
88.98799	0.3
89.02468	0.2
90.06069	0.1
93.03442	0.2
96.96002	100.0
97.95921	0.2
98.95599	0.3
101.02417	0.3
113.02425	0.2
114.93399	0.4
116.92823	0.3
119.03502	0.2
135.04500	0.1
146.26434	0.1
157.08713	0.2
171.10274	0.3
173.04544	0.3
173.60173	0.1
176.71037	0.1
191.05605	0.9
204.65862	0.2
207.13843	0.3
228.19058	0.1
405.34009	0.1
420.62769	0.1
429.21375	0.5
455.36758	0.2
571.12402	0.3
571.21320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
61.98824	0.5
65.17604	0.1
67.89421	0.1
68.57149	0.2
68.57523	0.1
71.01356	0.4
78.95903	1.5
79.95731	3.1
84.02337	0.2
85.02924	0.2
89.02462	0.2
96.29741	0.1
96.96003	100.0
103.74334	0.1
113.02460	0.2
113.92591	0.2
114.93397	0.8
152.99663	0.2
171.10222	0.3
173.04568	0.3
191.05646	0.2
193.04982	0.2
193.12239	0.2
209.53337	0.2
225.15042	0.2
248.98099	0.2
279.22159	0.2
324.52826	0.1
343.24731	0.7
387.20459	0.2
460.50961	0.2
471.15341	0.4
571.13763	0.2
571.28876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01366	2.0
61.98812	2.1
63.18568	0.5
69.86899	0.8
69.87314	1.7
71.01366	0.6
78.87744	0.4
78.95892	9.5
82.99794	0.4
93.03479	0.7
107.28001	0.4
113.09716	2.9
120.01221	0.6
129.53719	0.4
152.99579	1.1
168.04327	2.4
171.00735	0.6
171.10281	0.8
173.04564	0.6
173.31564	0.4
177.12872	0.5
179.14409	1.2
181.12346	0.8
191.05608	0.9
195.13892	21.1
196.14282	1.0
199.09595	0.5
209.11691	0.5
212.88560	0.4
224.06892	1.1
228.13399	0.5
241.03922	0.4
242.07985	4.2
247.71565	0.4
277.21692	19.2
278.21979	0.9
295.22751	100.0
296.23096	5.2
520.30396	92.7
521.30707	7.6
566.33966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
61.98831	2.7
66.34467	0.4
69.24619	3.5
71.01371	1.2
78.95892	12.4
89.02455	0.6
93.03475	0.8
95.50987	0.5
96.96032	0.9
102.45937	0.4
115.04595	0.6
152.99570	4.0
156.36613	0.4
163.11221	0.5
168.04285	2.9
171.00653	0.5
171.10252	2.2
173.04553	1.0
179.14427	1.2
181.12367	0.4
182.77510	0.4
191.05611	1.5
195.13885	12.1
196.14371	0.5
199.09761	0.5
205.12288	1.2
205.15883	0.5
209.11761	1.7
211.13437	1.0
223.13344	8.0
223.76376	0.5
224.06906	1.8
228.13676	0.7
242.07968	4.5
256.13187	1.4
265.21814	1.2
275.20090	5.8
285.18979	0.6
293.21194	80.1
294.21570	4.9
362.39832	0.5
397.13297	0.5
423.18124	0.5
518.28815	100.0
519.29163	8.3
559.22729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22781	0.5
57.03430	3.2
59.01372	3.5
61.98823	2.7
70.63654	1.9
71.01357	0.9
78.95897	10.2
84.62070	0.6
96.95995	2.2
97.06624	0.9
101.30103	0.5
109.06577	1.0
113.09714	17.4
114.57856	0.5
125.09691	0.7
137.46065	0.5
139.11281	2.1
142.52715	0.5
149.09796	0.6
152.99596	3.0
160.34592	0.5
167.10762	3.2
168.04254	2.1
171.00618	0.6
171.10251	2.3
177.12819	0.7
179.10733	2.0
191.05600	1.2
191.68120	0.5
195.13841	2.8
199.10016	0.7
207.10210	0.9
209.11757	1.3
224.06853	1.5
225.11363	0.8
238.27341	0.5
238.79343	0.6
242.07985	4.7
249.22220	1.8
275.20108	1.0
293.21198	100.0
294.21518	7.0
392.44678	0.6
410.50702	0.7
518.28815	67.1
519.29144	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	567.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38150	0.6
54.21489	0.5
57.03441	1.0
59.01376	61.8
60.01691	0.6
61.98829	7.1
69.38718	2.5
69.39141	2.4
71.00985	0.9
71.01377	14.9
72.99306	0.7
73.02934	8.3
73.60969	0.5
75.00839	0.6
79.95704	0.6
81.03447	1.4
83.01398	2.7
85.02951	5.4
87.00872	1.0
87.04446	0.5
89.02444	9.4
93.03445	0.8
95.01385	1.1
96.96001	11.8
97.02991	0.8
98.95609	0.9
99.00875	1.3
99.04511	2.5
101.02430	10.8
109.02917	0.8
109.06563	0.9
113.02446	5.9
115.04052	0.5
115.50523	0.5
117.05570	1.0
119.03497	4.5
131.03479	0.6
135.00935	0.6
135.06627	6.4
143.03500	0.9
148.03983	0.7
153.01839	0.6
161.04518	1.9
165.12834	0.9
173.04469	1.0
179.05605	1.6
188.16725	0.5
191.05664	2.7
201.07657	0.6
207.13837	0.9
209.11780	4.2
220.03204	0.6
225.14944	3.3
227.12863	18.8
228.13152	0.8
233.11905	0.8
251.12878	0.9
269.13892	1.5
279.10870	3.6
287.15036	1.3
297.11911	3.1
339.12875	1.3
383.40533	0.5
459.11642	0.9
523.27112	1.2
549.11652	0.9
549.25403	4.9
567.26526	100.0
568.26855	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	567.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03448	1.0
58.00568	0.5
58.65728	0.3
59.01376	59.4
60.01717	0.6
60.99279	0.4
61.98827	0.5
69.97698	1.3
71.01377	13.9
72.99312	0.8
73.02941	8.8
75.00892	0.5
81.03470	1.0
83.01389	2.9
83.05045	0.4
85.02951	5.6
87.00891	1.6
89.02439	9.2
95.01402	1.3
96.96006	0.8
97.02954	0.7
99.00905	0.8
99.04514	2.1
101.02438	9.2
103.04006	1.2
109.06543	0.5
111.04501	0.5
111.26902	0.3
113.02447	5.1
114.93404	0.4
115.04030	0.4
117.05567	1.0
119.03489	3.4
125.02409	0.5
128.17361	0.3
131.03516	1.0
133.05069	0.3
135.06635	8.5
143.03531	0.7
159.06680	0.8
161.04544	2.2
165.12831	1.3
167.10600	0.4
173.04536	0.3
177.07692	1.3
179.05614	1.5
189.12866	0.6
191.05623	1.5
201.07698	0.9
205.07132	0.4
207.13945	1.4
208.11438	0.4
209.11830	4.3
225.14963	4.0
227.12874	17.2
227.80934	0.4
243.12274	1.0
251.12865	0.5
269.13940	1.6
279.10760	3.3
287.15073	1.3
297.11841	5.1
339.12924	1.5
397.91479	0.4
405.17618	0.8
439.64709	0.3
523.28259	1.9
531.25195	0.4
532.72217	0.4
549.25684	5.4
567.26532	100.0
568.26862	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	567.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34077	0.5
55.01889	1.0
57.03426	1.2
58.00599	0.6
59.01377	60.6
61.98823	6.7
69.32404	4.5
71.01379	14.8
73.02951	8.5
75.00856	0.7
75.62167	0.4
77.92940	0.6
81.03468	1.3
83.01384	2.5
85.02941	6.5
87.00871	1.1
89.02441	9.0
93.03452	1.2
95.01364	1.3
96.96014	4.4
97.02957	0.9
97.38297	0.6
98.20576	1.0
98.95576	0.6
99.00890	1.7
99.04495	1.8
101.02437	10.9
109.02912	0.6
113.02438	7.2
115.92077	1.1
116.92844	1.0
117.05570	0.9
119.03505	3.1
131.03481	0.7
133.01434	0.7
135.04462	0.6
135.06630	7.2
135.83408	0.5
143.03487	1.4
148.04102	0.7
149.04526	0.8
161.04526	2.4
164.08182	0.6
165.12794	1.0
173.04495	1.9
179.05592	2.1
189.12843	0.7
191.05580	4.5
201.07658	1.1
204.89342	0.5
207.13881	1.4
209.11769	3.4
225.15002	3.8
227.12889	16.5
251.12869	0.6
262.74014	0.6
269.13882	2.1
279.10843	2.4
287.15051	1.1
297.11877	3.6
339.12970	2.2
340.45349	0.6
343.25647	0.6
364.97525	0.5
447.09152	0.8
447.22217	0.9
465.23428	2.4
523.27649	2.6
525.25739	0.8
549.11554	1.7
549.25464	3.8
567.26526	100.0
568.26886	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	567.2291
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
57.03434	2.2
57.22997	0.8
59.01376	37.6
61.98842	0.8
69.03461	1.1
69.38901	6.5
71.01378	9.0
73.02944	3.9
83.01372	1.9
85.02953	3.8
87.00855	4.5
87.04504	0.9
89.02456	6.5
93.03432	2.6
96.96014	4.7
98.95542	1.0
101.02454	5.3
113.02435	3.0
119.03448	0.7
131.03500	0.9
133.58009	0.7
139.11279	24.4
143.03496	0.8
161.04530	0.9
163.11296	1.3
165.05594	0.9
169.12347	1.7
173.04492	1.8
181.12312	14.0
183.10248	29.9
184.10617	1.6
191.05574	4.8
197.11826	1.0
199.13356	6.7
209.11794	4.4
225.11310	18.0
227.12929	1.1
239.12767	1.0
243.12346	76.9
244.12657	3.0
257.13953	1.8
267.12372	0.8
279.06589	1.9
285.13397	31.6
286.13898	1.0
315.14401	2.8
341.10886	1.2
345.15488	22.1
357.13193	2.7
405.17593	60.4
406.17908	3.2
523.27881	4.0
567.22845	100.0
568.23035	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	566.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43348	0.1
56.18139	0.1
59.01375	1.6
59.49947	0.1
61.98827	100.0
64.84341	0.1
69.24823	1.6
71.01382	0.7
72.49664	0.1
72.83806	0.1
73.02939	0.3
78.83359	0.1
81.95467	0.1
85.02974	0.2
89.02451	0.2
90.20449	0.1
93.03461	0.3
96.96017	1.2
100.02740	0.1
101.02470	0.4
113.02439	0.4
148.04103	0.2
167.05132	0.1
173.04579	0.3
191.05556	0.8
227.12746	0.4
330.14548	0.2
331.14569	0.2
448.68915	0.2
523.27917	0.2
549.11774	0.2
566.25647	0.2
567.26721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	9.4
59.92299	1.8
61.06972	1.8
61.98825	2.9
63.76160	1.9
64.76248	1.9
67.01895	2.0
68.80104	2.1
71.01382	14.2
71.62238	2.7
72.99306	2.6
73.02949	2.8
73.84685	2.2
75.00863	3.9
81.17204	1.9
83.01385	8.8
85.02925	4.4
87.00871	17.7
93.03444	2.4
96.96005	10.9
99.00903	3.9
109.02949	14.9
111.00848	12.5
113.02437	5.8
113.99564	4.5
115.00368	50.2
125.02484	2.9
128.01114	2.6
133.02980	4.7
135.04544	11.6
137.02434	3.9
139.00362	19.3
149.02437	5.6
149.06049	2.1
150.03180	5.6
155.03413	3.2
156.00655	15.4
157.01413	33.9
161.02432	4.2
161.06131	2.3
163.03998	6.4
165.05534	4.7
173.02374	2.3
173.04535	4.8
174.01694	26.4
174.03131	4.3
175.02470	45.7
175.03928	5.2
177.01924	8.7
187.03949	3.6
190.02661	3.4
191.03513	12.6
191.05569	7.2
193.05042	43.1
195.06509	2.9
201.01939	3.4
203.03558	2.5
205.01407	3.1
205.05060	2.4
206.02182	5.7
207.06595	16.4
211.00671	2.6
215.03497	2.8
216.04308	2.7
219.06540	3.9
223.06064	3.9
231.06552	2.3
233.04506	27.6
234.05290	17.9
247.06055	4.5
251.05568	7.5
254.85675	2.5
261.04388	2.3
275.05582	9.3
279.05133	4.1
279.08478	3.7
289.07166	7.4
307.08188	100.0
308.08557	3.4
309.06149	6.3
319.04010	2.5
351.06918	2.6
355.10126	4.7
390.15060	2.2
413.10797	4.6
446.96796	2.1
451.12463	7.3
469.13443	75.4
470.13828	4.6
471.11374	32.0
495.11432	6.7
513.12402	45.8
514.12738	3.7
531.13745	4.4
567.10596	4.8
567.18359	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27443	19.7
56.95834	21.4
59.01373	100.0
61.98829	84.0
69.60785	18.6
71.42700	26.4
71.43047	37.2
71.59889	22.4
78.95896	44.1
96.95994	39.5
120.38004	21.8
136.67406	21.1
152.99567	34.2
191.05644	28.1
254.85451	27.9
293.21304	55.4
311.04626	23.2
339.68417	20.2
401.67871	22.6
452.13583	22.5
565.28485	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	565.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64998	0.2
55.01879	1.3
57.03440	4.1
58.00584	0.3
59.01374	58.5
60.01717	0.4
61.98829	2.1
67.01876	0.3
68.99812	0.2
69.03453	0.8
69.70609	0.8
69.71032	0.4
71.01379	12.6
71.05034	0.2
72.99310	0.7
73.02938	4.2
75.00852	0.3
78.95926	0.2
79.58439	0.2
81.03467	0.4
83.01377	4.1
83.46591	0.2
85.02429	0.4
85.02946	8.2
86.00098	0.7
87.00880	1.8
87.04509	1.5
89.02442	0.8
93.03454	1.3
95.01388	1.8
96.96003	4.9
97.02935	1.1
97.06591	0.5
99.00884	2.1
99.08138	0.2
101.02441	8.1
109.02945	1.1
109.06567	0.2
110.25314	0.2
111.00871	1.9
111.04504	0.2
111.08144	0.3
112.01665	0.7
113.02438	6.3
113.09733	0.3
115.04018	0.2
116.83164	0.2
123.08161	1.1
124.01696	0.4
125.02436	1.5
125.09686	0.4
129.01929	0.5
133.05061	0.8
135.08131	0.2
137.02411	0.2
139.11313	0.5
141.01810	0.3
141.09152	0.4
141.12863	1.1
143.03456	1.3
143.10757	0.7
153.01912	0.8
153.09227	0.8
155.10617	0.3
158.67253	0.2
159.02983	0.9
159.04247	0.1
161.04613	1.0
169.12326	0.9
171.13921	2.2
173.04543	1.5
173.11826	0.3
175.05006	0.2
181.12279	0.2
183.13908	0.3
187.13408	1.2
191.05603	1.4
192.05984	0.5
193.06056	0.4
199.13335	0.4
200.14142	0.5
201.14909	2.7
210.19664	0.2
215.16534	0.2
217.14407	0.7
277.21689	0.3
279.23361	0.2
295.22626	0.2
315.25342	1.0
341.26987	0.3
343.28439	1.0
359.28006	2.5
361.29553	9.8
362.29828	0.8
373.15698	0.2
373.29416	0.3
383.46719	0.2
403.30374	0.3
431.30289	0.3
457.31735	1.1
459.29309	0.3
469.31943	0.3
475.32648	0.8
477.30539	0.2
503.31805	0.4
505.33774	100.0
506.34100	8.6
523.34814	23.3
524.35175	2.0
539.99542	0.2
565.21008	0.5
565.35864	3.2
566.36176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	77.2
61.97537	21.2
61.98811	49.6
66.25449	20.5
71.10533	46.7
78.95890	23.1
80.00065	21.3
94.68378	19.9
96.96001	45.0
97.80514	25.7
139.70056	19.7
141.03639	22.2
142.03494	21.5
161.36766	20.3
173.04472	26.1
213.95192	19.4
238.91414	23.7
247.93138	25.7
254.85509	48.9
268.78000	23.6
269.06995	30.8
293.21060	95.9
321.94641	21.4
402.26035	25.2
427.05911	26.8
565.27930	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	565.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36778	0.6
59.01365	2.7
61.98832	4.8
63.96234	1.5
70.21113	2.1
71.01379	5.9
72.08283	0.6
73.02939	1.7
76.68405	0.7
77.37078	0.6
78.95892	2.2
78.98590	4.4
79.95730	7.2
80.96510	51.2
81.03396	0.8
85.02934	3.1
85.03376	0.6
87.00883	1.2
94.98080	12.5
96.96008	2.3
97.02911	1.0
101.02431	1.6
106.98067	2.4
114.23499	0.7
115.20724	0.8
122.97571	5.0
125.02423	2.8
134.97557	3.7
136.99150	1.3
148.99113	4.1
152.98602	6.4
152.99603	1.1
164.98608	8.4
178.73584	0.7
182.99660	2.4
195.31044	0.7
206.99666	3.2
225.00726	13.3
243.01732	1.9
260.30130	0.8
265.21716	1.9
267.23260	11.3
277.21680	4.4
279.23032	1.0
299.04407	2.1
492.30948	4.2
505.25638	3.3
565.26813	100.0
566.27167	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	565.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53424	6.4
59.01370	27.6
61.98820	22.3
71.01377	6.9
71.39250	10.0
71.48238	7.1
74.43723	6.5
78.95924	12.6
85.02957	10.3
95.37782	6.8
96.96016	22.0
118.70633	7.5
152.99602	7.5
171.10101	8.1
173.04599	8.4
183.28551	6.8
191.05504	11.6
253.09204	18.4
254.39426	7.2
291.19672	100.0
293.21289	33.3
329.15564	8.4
358.04099	7.8
364.36880	7.4
394.17673	6.1
427.61560	7.3
442.86343	7.9
527.28400	32.6
529.28992	17.9
565.27258	29.8
576.45276	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	563.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.4
61.98817	6.3
66.75951	2.7
69.38169	7.6
69.38594	17.7
71.01386	3.6
74.75141	2.9
78.95910	7.3
93.03442	8.1
96.96016	5.1
98.63042	2.6
106.09703	2.8
111.08154	4.7
135.04512	4.4
162.90860	2.6
173.04510	13.2
191.05627	22.4
253.09225	17.2
267.19574	4.8
291.19659	100.0
292.20239	3.1
308.24338	2.9
366.27167	4.1
512.23669	2.9
527.28516	35.6
563.26544	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	563.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65094	16.1
54.88974	14.3
59.01358	41.7
61.98825	36.6
71.63586	18.2
78.95895	46.5
93.03445	47.9
95.71087	14.4
135.04468	14.1
153.82066	17.8
173.04495	66.4
191.05592	94.2
198.29779	15.2
253.09383	25.6
291.19620	100.0
366.27249	29.5
403.95987	15.0
440.50778	16.4
527.28448	35.5
555.58563	16.0
563.25806	22.4
573.34900	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67487	0.4
59.01371	2.3
61.98825	0.9
63.96225	1.7
69.03463	0.4
71.01378	7.4
73.02952	1.7
78.95911	1.2
78.98589	5.5
79.95728	10.3
80.96510	67.3
81.03457	1.0
83.01357	0.7
85.02946	2.6
87.00855	2.8
93.03500	0.5
94.98081	16.8
95.01374	0.6
96.93994	0.4
96.96021	1.1
97.02944	1.1
101.02437	2.5
106.98088	3.9
113.02448	0.5
122.97594	5.3
125.02435	3.4
127.04060	0.7
134.97554	4.3
135.63890	0.3
136.99130	1.7
138.50549	0.3
146.97592	0.4
148.99138	5.0
152.98622	7.1
152.99710	0.7
164.98608	11.2
167.00142	0.4
173.04471	0.7
182.99702	2.1
191.05609	1.0
206.99658	2.7
225.00717	16.1
243.01796	2.0
244.16074	0.4
263.20163	2.2
265.21667	6.9
277.21661	6.4
278.22141	2.2
299.04443	3.1
353.18536	0.3
366.27405	0.4
427.11505	0.3
473.02957	0.4
490.29166	2.4
502.29410	2.1
503.30011	1.1
519.41095	0.3
563.25244	100.0
564.25659	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14828	0.6
55.01866	1.1
57.03437	2.5
58.00594	1.4
59.01378	33.7
60.01718	0.7
60.99289	1.0
61.98826	2.9
63.62167	0.5
67.01881	1.2
71.01378	19.0
71.63302	0.9
72.99287	1.8
73.02955	2.9
79.95715	0.7
82.26897	0.8
83.01381	1.3
83.05017	2.5
85.02947	9.1
86.04816	0.7
87.00871	7.0
88.98798	1.7
89.02446	18.9
93.03457	8.2
95.01381	1.5
95.05006	0.8
96.95992	8.2
97.06581	2.3
98.95570	1.2
99.00863	2.7
101.02431	11.1
107.05025	4.2
111.00881	1.1
111.04501	2.0
112.93719	5.9
113.02450	7.9
119.03502	6.7
120.05791	2.1
127.03983	0.8
130.14018	0.6
133.05061	1.8
135.04527	1.9
137.02432	0.9
141.05583	0.7
143.03476	1.3
146.07343	0.7
147.49466	0.7
149.04556	0.8
151.06110	6.0
155.03485	1.1
159.11816	0.9
160.05264	1.4
161.04506	2.4
161.09715	8.7
161.13324	2.5
163.11217	2.7
169.10179	0.7
173.04529	14.2
175.02434	0.6
175.07594	1.1
175.11122	0.7
177.09177	0.7
179.05670	4.1
179.10599	0.8
187.11290	10.6
189.09195	5.0
191.02061	1.1
191.05595	25.5
192.05933	1.4
196.15788	0.6
203.10765	3.2
205.12283	4.1
207.10202	5.2
218.24109	0.6
223.13329	1.5
224.35938	0.6
231.10297	0.9
249.11266	6.5
283.13461	1.4
300.02347	0.7
301.14481	0.8
307.06393	1.1
311.12766	1.1
313.11340	6.3
314.11282	0.8
327.12338	1.2
327.15930	2.0
329.13898	5.4
345.17084	1.5
354.61310	0.7
371.14890	3.5
389.15927	1.5
521.25732	2.2
545.20868	1.7
555.67230	0.7
563.23328	100.0
564.23712	8.9
594.39404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62154	0.7
57.03423	0.8
59.01374	5.7
60.99303	1.8
67.01891	6.0
69.03437	1.3
70.63033	1.1
70.63372	1.1
71.01368	5.0
71.29974	0.7
72.99294	1.3
73.02927	0.9
81.03449	1.5
83.05012	1.4
84.32287	0.6
85.02940	9.2
87.00864	6.9
93.03448	36.9
93.37746	0.7
95.01377	0.9
98.20524	0.8
99.00892	0.9
108.02154	1.7
109.02921	4.1
110.45519	0.7
111.00819	0.8
111.04514	7.1
121.02950	1.8
122.03712	1.0
124.01653	3.2
125.02429	2.1
126.03186	1.0
127.03977	2.2
132.02164	0.8
133.02931	5.6
134.03732	8.7
135.04517	57.1
136.05255	1.2
137.02448	8.3
137.65778	0.7
139.03989	1.6
149.02353	0.9
150.03207	2.2
151.03987	6.5
155.03500	3.9
160.01653	1.9
161.02397	3.5
171.02975	0.9
172.05270	0.9
173.04532	86.6
174.03297	0.8
174.04898	1.6
174.06934	0.8
175.00378	0.9
175.03975	1.1
177.01900	1.8
178.02707	8.4
179.03485	13.6
180.04341	1.3
187.04022	1.1
187.07603	1.8
191.05591	100.0
192.05919	2.0
197.06058	1.0
201.05606	1.3
202.06438	1.0
203.07120	1.2
205.08742	1.4
214.06342	1.0
215.07097	3.0
228.04260	1.4
229.08641	0.8
230.09543	1.0
233.08308	5.5
247.09708	2.4
249.07684	0.7
257.15399	1.0
274.08356	1.4
283.13455	1.0
299.16656	1.1
301.14386	0.8
307.08252	3.2
308.09033	7.5
309.14908	2.8
323.07791	0.7
325.14285	0.8
327.12476	1.2
327.15921	7.0
327.21793	1.6
343.15427	1.7
345.17032	9.3
351.07169	3.1
352.07971	20.9
353.08176	1.1
353.13824	4.1
371.14960	34.8
372.15372	2.4
389.15964	3.2
423.12921	3.7
466.14191	0.9
545.20233	6.3
563.21313	24.0
564.21570	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	563.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.00598	0.5
59.01376	11.2
60.01704	0.6
60.99305	2.3
61.98809	0.8
67.01553	0.4
67.01888	5.9
67.03342	0.3
69.03449	1.1
71.01376	8.2
71.53697	0.3
71.62630	0.3
72.01709	0.3
72.99286	0.6
73.02954	1.8
79.95718	0.3
80.96478	0.3
81.03437	0.7
83.01382	0.7
83.05021	0.8
85.02950	2.5
87.00874	2.1
88.98801	9.7
89.02434	2.8
90.02771	0.4
93.03450	27.9
94.03773	0.4
95.01385	0.7
96.02181	0.3
96.96008	5.9
96.96932	0.3
97.02959	0.3
99.00871	3.1
99.04504	0.4
101.02429	2.4
108.02180	0.3
109.02937	1.1
111.00880	1.2
111.04514	4.4
113.02448	3.1
115.00335	1.5
118.09087	0.3
119.03511	0.5
121.02959	1.0
122.03730	0.5
123.04511	0.5
126.90376	0.5
127.03977	0.6
131.03458	0.4
133.02965	0.4
134.03741	4.2
135.04491	0.6
135.06525	0.3
137.02435	4.6
143.03543	0.5
147.04623	0.3
149.02403	1.7
149.04564	0.8
149.06053	1.3
149.69592	0.3
150.03218	4.9
155.03487	4.4
155.10779	0.4
161.04515	1.3
164.04831	0.3
165.05562	4.3
173.04532	100.0
174.04871	2.2
175.02473	2.5
178.02686	2.3
179.05544	0.4
180.04256	0.5
189.12778	0.4
191.05585	4.3
192.05995	0.5
193.05025	6.5
195.06602	2.2
203.05655	0.4
207.13873	0.3
227.16508	0.9
267.06473	0.3
282.08868	0.8
297.11990	0.5
341.10306	3.5
359.15326	0.5
364.46671	0.3
371.15005	0.4
374.90027	0.3
389.12595	1.4
389.17108	0.4
431.22812	0.6
461.09000	0.3
473.15817	0.4
503.24445	1.0
520.25586	0.3
521.25549	3.3
527.26990	0.3
563.16901	2.3
563.26788	4.5
564.17706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.00598	0.5
59.01376	11.2
60.01704	0.6
60.99305	2.3
61.98809	0.8
67.01553	0.4
67.01888	5.9
67.03342	0.3
69.03449	1.1
71.01376	8.2
71.53697	0.3
71.62630	0.3
72.01709	0.3
72.99286	0.6
73.02954	1.8
79.95718	0.3
80.96478	0.3
81.03437	0.7
83.01382	0.7
83.05021	0.8
85.02950	2.5
87.00874	2.1
88.98801	9.7
89.02434	2.8
90.02771	0.4
93.03450	27.9
94.03773	0.4
95.01385	0.7
96.02181	0.3
96.96008	5.9
96.96932	0.3
97.02959	0.3
99.00871	3.1
99.04504	0.4
101.02429	2.4
108.02180	0.3
109.02937	1.1
111.00880	1.2
111.04514	4.4
113.02448	3.1
115.00335	1.5
118.09087	0.3
119.03511	0.5
121.02959	1.0
122.03730	0.5
123.04511	0.5
126.90376	0.5
127.03977	0.6
131.03458	0.4
133.02965	0.4
134.03741	4.2
135.04491	0.6
135.06525	0.3
137.02435	4.6
143.03543	0.5
147.04623	0.3
149.02403	1.7
149.04564	0.8
149.06053	1.3
149.69592	0.3
150.03218	4.9
155.03487	4.4
155.10779	0.4
161.04515	1.3
164.04831	0.3
165.05562	4.3
173.04532	100.0
174.04871	2.2
175.02473	2.5
178.02686	2.3
179.05544	0.4
180.04256	0.5
189.12778	0.4
191.05585	4.3
192.05995	0.5
193.05025	6.5
195.06602	2.2
203.05655	0.4
207.13873	0.3
227.16508	0.9
267.06473	0.3
282.08868	0.8
297.11990	0.5
341.10306	3.5
359.15326	0.5
364.46671	0.3
371.15005	0.4
374.90027	0.3
389.12595	1.4
389.17108	0.4
431.22812	0.6
461.09000	0.3
473.15817	0.4
503.24445	1.0
520.25586	0.3
521.25549	3.3
527.26990	0.3
563.16901	2.3
563.26788	4.5
564.17706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45455	0.3
59.01389	1.3
70.85070	1.0
78.95895	8.9
83.05009	0.5
85.06605	0.5
104.11895	0.3
123.00051	0.3
140.01137	3.1
152.99585	1.0
163.11304	0.9
165.12816	1.6
181.12361	1.6
183.49280	0.4
194.74008	0.4
196.03781	1.1
199.13376	23.0
200.13869	0.4
214.04849	3.4
249.34993	0.3
263.20123	8.8
264.20520	0.6
279.19586	4.1
347.25824	6.0
348.26379	0.6
365.26910	100.0
366.27249	6.7
488.27808	3.8
513.13660	0.4
557.26544	0.4
562.31415	27.1
563.31879	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	562.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98827	100.0
63.00256	0.4
71.01377	0.4
71.32758	0.5
78.95915	1.0
80.96532	0.8
121.02933	0.7
179.03508	0.9
208.31506	0.4
264.20389	0.7
277.21765	1.4
328.04190	0.4
365.27051	1.9
562.31580	0.5
563.25690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.0
59.01375	69.4
61.98817	15.9
69.03462	4.1
69.53633	24.3
71.01370	34.6
73.02929	8.5
78.43088	3.0
78.46854	3.5
78.95924	3.4
81.03452	7.1
83.01368	10.2
83.05001	9.6
85.02941	17.4
87.00875	10.1
88.80051	3.7
89.02436	29.3
93.03435	16.4
95.01379	5.0
95.05012	4.8
96.95992	8.1
97.02937	9.5
97.06579	14.9
101.02437	29.4
111.04522	5.3
113.02461	17.6
119.03471	5.9
121.06561	3.7
121.07420	3.2
123.04493	7.1
123.08134	3.9
125.02444	3.7
125.09696	30.6
135.04494	4.7
137.02347	4.3
139.11343	3.4
152.99512	5.0
161.04486	11.1
163.11255	14.5
165.12770	5.1
167.10701	10.6
171.10220	10.2
173.04591	22.5
179.05681	5.0
181.12309	6.4
183.68796	3.6
185.11816	29.4
191.05580	50.9
191.10837	4.1
191.14426	18.1
193.55533	4.2
197.11868	3.8
201.47125	3.4
207.10159	11.8
207.13673	3.8
209.11777	57.3
211.13283	8.5
225.11261	5.6
227.12834	13.4
231.10175	4.0
237.11250	5.7
245.19075	42.8
246.19318	5.8
247.16537	3.4
253.09276	39.4
263.20029	9.6
271.16925	5.6
283.13397	4.4
289.18073	100.0
290.18372	5.0
301.16290	3.9
307.19092	60.5
421.32446	3.4
466.89270	4.0
561.28314	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	561.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
56.41273	0.2
57.03444	2.1
58.00588	1.1
59.01374	99.9
60.01715	0.7
69.03450	1.2
71.01376	30.4
71.05023	0.3
71.19406	0.3
72.01725	0.4
72.99306	1.2
73.02941	17.5
75.00878	0.6
80.96500	0.4
81.03448	0.5
83.01373	3.6
83.05013	1.2
85.02943	10.9
87.00861	1.3
89.02436	16.9
93.27081	0.2
95.01376	2.8
97.02935	1.6
99.00873	18.3
101.02433	17.4
105.07116	0.3
107.05053	0.4
111.00848	0.6
112.01663	1.1
113.02436	15.1
119.03484	3.2
121.06583	0.5
121.10258	0.4
123.08150	14.3
124.08489	0.4
125.02425	2.4
129.01875	0.4
131.03494	2.7
137.09715	3.8
138.06876	0.5
143.03479	2.2
149.04535	5.0
153.09195	0.7
155.03502	0.5
155.08624	0.5
155.10727	0.4
159.02950	1.6
160.85548	0.3
161.03214	0.5
161.04529	7.6
162.04868	0.3
163.11269	13.0
164.11581	0.6
166.82372	0.3
167.10674	0.3
169.23703	0.2
171.11775	1.0
173.09732	1.2
179.05630	1.5
185.04506	0.3
189.12827	21.3
190.13181	0.8
191.05589	4.5
203.05647	2.5
207.13873	24.4
208.14236	1.1
221.06639	0.3
225.14941	3.8
233.06647	1.0
254.42223	0.2
293.08517	0.4
321.16968	1.2
369.19333	1.2
387.20187	4.9
388.20282	0.3
429.21286	5.1
430.21506	0.4
471.15765	0.5
501.23358	3.7
502.23450	0.3
519.24402	42.1
520.24719	3.3
561.25439	100.0
562.25763	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	561.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33568	0.4
55.01863	2.2
57.03442	2.5
58.00581	0.9
58.43709	0.4
59.01375	100.0
60.01696	0.4
69.03448	1.1
69.37340	4.0
71.01377	35.5
72.99313	1.6
73.02939	19.0
75.00873	1.0
79.95737	0.7
80.96509	4.0
81.03483	0.9
83.01381	4.2
83.05032	1.9
85.02941	16.5
87.00881	2.3
89.02438	20.5
90.02746	0.7
93.03456	0.5
94.98068	0.6
95.01369	2.8
97.02949	2.7
98.20623	0.8
99.00871	30.4
100.01231	0.5
101.02435	19.7
111.00844	0.8
112.01678	1.5
113.02441	20.6
115.04004	0.6
119.03491	3.3
121.06613	0.5
123.08153	13.9
124.08499	0.4
125.02425	4.1
127.03987	0.7
129.02005	0.7
131.03500	4.7
137.02486	0.4
137.09708	4.8
138.06941	0.5
143.03497	3.3
149.04544	12.0
152.98616	0.5
155.03476	1.3
159.02977	0.9
161.04536	9.4
163.11266	12.3
164.98561	0.6
171.11787	0.8
173.04530	0.5
173.09663	1.5
179.05588	1.9
189.12831	21.9
190.13211	0.7
191.05579	9.8
203.05611	5.8
207.13882	21.3
208.14198	0.9
225.00652	2.0
225.14940	3.4
233.06665	2.8
267.83319	0.4
275.07755	0.8
293.08847	0.5
305.24384	0.4
321.17020	1.0
335.09805	0.8
369.19147	0.9
387.20160	4.0
429.21231	3.9
471.15268	5.0
472.15454	0.5
483.23038	0.5
501.23355	12.7
502.23767	0.8
519.24408	45.8
520.24835	4.0
561.25482	71.7
562.25653	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24316	0.3
57.53444	0.3
59.01375	4.8
59.35801	0.3
61.98821	0.3
69.03461	0.4
69.48150	1.7
69.48559	0.8
71.01369	2.0
73.02938	1.1
74.04766	0.3
79.95731	0.4
80.96503	0.6
83.01389	0.6
85.02937	1.5
89.02444	1.1
91.03706	0.3
93.03461	1.9
96.96007	2.4
98.95565	0.6
99.00829	0.6
101.02435	1.4
108.02185	1.5
109.02985	0.6
113.02472	0.8
121.02940	4.6
122.03720	2.6
123.04555	0.6
124.01633	0.5
125.02453	0.6
132.02161	0.3
134.03696	1.0
135.04539	0.5
136.01649	75.8
137.02383	2.2
138.03264	0.3
149.06006	0.4
151.03993	100.0
152.01064	0.5
152.04341	2.3
153.01848	0.3
154.02719	0.3
159.04506	0.7
160.05287	1.1
161.02408	0.3
162.03242	1.0
163.03978	1.2
173.04520	2.0
175.04004	0.9
175.07626	1.6
176.04709	0.4
177.05550	1.4
178.99860	0.9
179.03493	0.7
189.05486	0.4
190.06139	0.4
191.05580	2.7
241.04883	0.4
296.10480	0.5
311.12738	0.7
342.11008	5.3
353.06653	1.8
357.13382	98.0
358.13733	6.8
385.87158	0.3
471.18649	0.4
501.17719	0.5
501.29984	0.4
543.14984	2.5
561.15747	1.0
561.22986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
58.00579	1.2
59.01375	66.7
61.98827	12.5
65.00307	1.8
69.47469	7.5
70.56936	1.2
71.01371	17.6
72.99334	1.5
73.02947	7.5
78.95896	2.7
79.95730	4.9
82.95417	1.4
83.01392	4.5
85.02945	13.1
87.00868	2.9
89.02427	12.0
93.03443	14.6
94.16860	1.1
95.01351	1.6
96.96004	98.1
96.96967	4.4
99.00851	9.1
101.02423	10.4
101.73425	1.3
107.01388	2.7
109.02943	3.3
111.04502	3.2
113.02454	7.6
119.03490	3.2
121.02967	8.2
123.04478	1.9
125.02431	5.5
127.04010	2.2
128.03499	1.9
131.03503	2.5
135.04500	2.8
137.02441	2.8
145.03003	1.6
149.04518	5.2
151.00362	10.6
153.01953	6.2
155.03526	2.6
159.04539	1.5
161.02336	1.4
161.04565	3.1
163.03990	2.0
173.04518	22.7
173.05957	1.5
175.00340	1.8
175.03961	10.7
177.01904	1.6
178.99896	7.0
181.01396	2.6
181.12309	5.3
189.09164	1.5
190.06337	4.2
191.05592	52.9
192.05913	2.4
194.15056	1.2
203.07100	2.9
209.06125	1.6
219.08186	1.6
222.05144	5.4
223.07649	1.9
223.13362	1.6
225.05644	1.4
225.11328	3.1
225.14937	1.8
229.08743	3.2
233.06328	2.6
235.07661	3.4
239.07132	3.9
251.07016	6.3
253.08861	6.5
255.06612	2.3
261.05569	4.9
262.06229	1.9
263.07144	8.9
267.06583	4.8
267.12494	1.2
268.07321	2.1
268.11035	2.6
269.08118	10.5
278.09277	1.8
279.06638	14.0
280.07251	2.1
281.08151	14.3
282.08685	2.3
283.09726	3.5
289.05371	4.0
291.06543	4.1
292.07449	1.9
293.08267	5.0
294.08969	10.1
296.10596	3.9
297.07651	39.2
297.10867	1.6
298.07855	1.6
307.06387	1.5
307.09872	1.5
308.10611	2.5
309.07626	50.1
309.11267	28.7
310.07889	3.9
310.11392	1.7
312.10016	39.3
321.11252	1.8
323.09143	8.0
324.09964	30.6
325.14313	1.8
327.12323	100.0
328.12646	6.3
335.09744	2.0
339.12314	81.2
340.12515	5.8
343.06680	3.3
369.13458	2.7
369.19299	2.5
381.09814	2.9
387.14685	2.4
399.10931	2.7
399.16241	1.5
471.18744	2.1
481.11420	3.9
501.30624	2.6
519.24207	6.5
519.31128	1.4
543.06696	1.7
543.14734	2.1
561.07428	9.0
561.25995	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	561.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01375	20.8
61.98811	1.9
63.96232	1.1
64.56030	0.4
69.03434	1.1
69.59571	2.6
71.00988	0.7
71.01378	13.1
73.02944	4.7
78.98263	0.4
78.98592	4.9
79.39341	0.4
79.95264	0.7
79.95727	10.1
80.96510	55.6
81.03452	0.9
81.19174	0.4
83.01384	0.8
85.02943	6.2
87.00867	3.6
89.02433	6.0
93.03441	0.9
94.98083	13.2
95.01363	1.4
96.96008	4.0
97.02936	2.3
99.00869	6.0
101.02428	6.7
106.98073	2.4
109.02928	0.5
109.06608	0.5
111.00839	0.7
113.02441	8.5
117.08556	0.5
118.98096	0.5
119.03501	0.7
122.97586	4.4
123.08136	1.8
125.02438	4.6
127.03969	1.4
131.03485	0.7
134.97597	3.4
136.01648	0.6
136.99132	2.1
137.02429	0.6
137.09723	1.0
143.03497	1.0
148.99115	5.5
149.04549	3.4
152.98604	6.5
153.09239	0.6
161.02458	0.9
161.04538	2.6
163.11252	2.0
164.98611	10.2
165.86523	0.5
167.00194	0.5
171.10263	3.4
173.04518	1.7
182.99641	2.1
189.12837	3.0
191.05652	4.8
203.05556	0.9
206.99644	2.5
207.13914	3.4
225.00720	21.6
225.14949	0.7
243.01704	2.1
293.08789	1.1
299.04428	3.5
317.05237	0.6
357.13324	0.7
429.21249	1.1
471.15363	100.0
472.15735	5.1
499.14771	1.1
501.16647	0.8
501.23441	3.8
515.17810	0.7
519.24512	10.9
525.16870	0.9
536.81860	0.6
543.17493	9.7
544.17682	0.8
561.18475	22.7
561.25720	9.6
562.18463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74850	0.4
57.03426	0.5
59.01373	15.7
61.98834	2.3
63.96220	1.1
64.05894	0.5
64.13495	0.5
69.03454	1.4
70.11118	2.2
71.01376	13.0
72.99286	0.6
73.02935	4.5
78.95856	0.4
78.98589	5.0
79.95731	12.3
80.96508	59.3
81.03450	1.2
82.70083	0.6
83.01364	1.6
83.04987	0.6
85.02947	6.5
87.00888	2.7
89.02435	4.8
93.03440	0.7
94.98078	14.5
95.01386	0.8
96.95995	4.1
97.02942	2.1
99.00880	4.2
99.04491	0.6
101.02428	6.1
106.98099	2.5
106.98691	0.5
113.02435	4.5
119.03470	0.7
119.43948	0.5
121.02949	0.5
122.97568	5.0
123.08134	0.7
125.02412	4.5
127.04023	1.1
131.03511	1.0
134.97566	3.7
136.99103	1.4
137.09695	1.0
143.03438	1.1
148.99103	5.5
149.04544	3.0
151.04036	1.0
151.78603	0.5
152.98605	6.5
152.99690	0.6
161.02382	0.6
161.04524	2.0
163.11182	0.6
164.98599	9.8
171.10243	3.6
173.04532	1.6
179.00169	0.6
182.04451	0.4
182.99669	2.4
183.53629	0.6
189.04381	0.5
189.12823	2.1
191.05594	3.7
206.99635	3.3
207.13908	2.9
217.50870	0.5
225.00700	22.1
225.14867	0.8
233.06627	0.6
243.01765	3.1
255.94595	0.5
267.06375	0.5
293.08841	0.6
299.04361	4.2
342.03116	0.6
357.14047	0.5
387.11014	0.5
387.20187	0.7
402.23944	0.5
429.21170	0.8
450.04050	0.5
471.15344	100.0
472.15640	6.1
499.14948	1.5
501.16617	0.8
501.23462	2.0
515.18256	0.9
519.24420	6.0
525.16876	1.2
543.17517	10.9
544.18079	0.9
561.18500	25.3
561.25714	5.6
562.18939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32497	0.5
55.01962	0.5
58.77682	0.4
59.01135	1.0
59.01465	6.1
61.98903	0.7
68.22070	0.5
69.03515	0.7
69.89369	2.6
71.01486	8.2
72.08916	0.5
72.99371	0.7
73.03056	2.9
78.96003	0.7
78.98710	3.7
79.95335	1.5
79.95853	10.0
80.95857	2.0
80.96630	56.4
83.01463	0.8
85.03075	3.5
87.00999	2.3
89.02075	0.7
89.02567	2.0
93.03037	0.6
93.03537	1.2
94.97556	1.5
94.98216	14.5
95.01521	0.8
96.96140	2.5
97.03042	1.4
99.00315	1.0
99.01012	4.7
100.92203	0.4
101.02573	3.5
106.98213	2.8
112.66174	0.4
113.02600	1.7
114.29279	0.5
115.19981	0.6
121.50562	0.5
122.97576	4.0
125.02435	3.4
133.03023	1.2
134.97572	3.3
135.04680	0.6
136.99246	1.2
148.99121	5.1
149.04720	2.0
152.98615	6.2
161.02411	4.8
161.04605	1.1
163.04053	0.5
163.11380	0.8
164.98611	10.3
171.10243	4.3
173.04692	1.3
182.99847	2.1
189.12933	1.1
191.05502	2.6
203.05760	1.0
206.99666	2.7
207.14108	0.7
211.07787	0.6
220.05664	0.6
225.00714	20.8
226.01036	0.8
243.01794	2.5
299.04440	3.2
317.05524	0.6
355.58691	0.5
399.12891	3.8
471.15356	100.0
472.15631	6.6
499.14731	0.7
515.17896	0.7
519.24237	2.6
525.16632	1.1
543.17389	10.7
544.17548	1.2
561.18353	21.4
561.25580	2.5
562.18842	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	559.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.0
60.19821	0.3
61.98825	1.6
65.29172	0.4
68.68134	0.3
69.42183	0.5
69.42590	2.7
71.01378	3.3
73.02953	1.0
78.95897	2.4
85.02946	0.8
89.02424	2.6
101.02438	3.1
102.59617	0.4
113.02438	1.0
117.18544	0.4
119.03484	1.2
143.03494	0.5
152.99586	0.6
161.04514	1.5
179.05621	0.4
184.24921	0.3
219.21162	0.5
235.08168	1.8
246.04550	0.3
253.09267	14.7
254.09650	0.7
261.18262	0.5
263.20117	100.0
264.20477	4.9
267.05649	0.4
275.12833	0.3
308.95908	0.4
474.26144	2.1
485.69614	0.4
546.27814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46230	0.7
55.01877	1.2
57.03439	1.5
59.01374	49.4
60.01717	1.2
61.95966	0.8
61.98828	3.7
68.72733	0.7
69.03436	1.2
69.52931	6.0
71.01379	26.1
71.05033	1.0
72.01712	0.9
72.73082	0.7
72.99302	1.7
73.02940	20.2
83.01375	6.5
85.02946	7.2
87.00862	1.8
89.02448	8.2
93.03450	4.3
95.01382	1.3
96.96004	3.4
97.02925	1.0
97.35960	0.8
99.00887	1.3
101.02427	17.3
106.95667	0.8
111.00873	1.7
113.02425	6.2
114.01800	0.7
115.04005	4.4
119.03474	2.6
120.99651	0.8
129.01889	0.8
151.00319	1.0
161.04567	1.4
171.10124	1.2
173.04495	4.9
178.99779	1.4
191.05563	5.8
197.11867	0.9
209.11810	0.8
223.13148	1.1
241.01714	0.8
253.09370	1.0
270.01770	1.1
275.20114	0.9
293.21204	9.6
299.01974	0.8
311.22208	2.9
313.06967	0.9
413.09317	1.3
455.02991	3.0
455.26346	3.0
473.27524	8.4
515.28534	100.0
516.28955	10.0
559.13885	4.7
559.27277	1.7
560.15234	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	559.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03445	1.5
58.00584	1.3
59.01376	75.4
59.79209	0.2
60.01706	0.5
60.71664	0.2
61.98824	0.6
62.00020	0.2
66.52326	0.2
68.99820	0.2
69.03450	1.0
71.01377	39.6
71.04996	0.2
72.01734	0.4
72.99301	2.2
73.02941	23.8
73.73917	0.2
75.00867	0.4
78.98557	0.2
80.96513	0.8
81.03451	0.7
83.01382	4.0
83.05019	0.8
85.02498	0.2
85.02943	12.4
87.00864	1.9
89.02438	27.2
90.02815	0.3
93.03436	0.3
94.98067	0.3
95.01373	3.1
95.05019	0.6
96.96036	0.5
97.02948	3.0
99.00874	53.1
100.01229	0.5
101.02438	18.4
105.07098	0.4
107.01402	0.3
107.05021	0.3
108.05814	0.7
109.02994	0.2
109.06572	0.5
111.00874	0.5
111.04520	0.7
112.01676	0.8
113.02440	23.3
113.06065	0.8
114.02800	0.3
119.03495	3.0
122.03739	0.5
123.04506	0.3
123.08173	0.9
125.02438	4.0
125.06061	0.8
127.03999	0.5
129.02020	0.3
131.03499	6.3
135.08156	0.3
136.05286	2.3
137.06094	0.4
138.06854	6.9
139.07655	2.4
143.03482	2.6
147.08128	0.4
149.04543	12.5
151.00388	1.2
151.07631	7.1
152.04773	0.4
152.08418	18.5
153.09198	40.9
154.09526	1.2
155.03548	1.6
159.02957	0.8
161.03192	0.4
161.04546	8.9
161.09700	2.4
162.45789	0.2
163.11288	2.5
164.08444	0.2
165.09187	1.6
167.03465	0.6
167.07155	0.7
173.04506	0.2
175.07648	0.2
178.98056	0.4
179.05663	0.6
179.10777	0.8
179.98837	0.5
180.99640	0.5
187.11290	0.7
189.09264	0.8
190.10002	1.9
191.05592	13.1
192.05988	0.3
193.94376	0.2
203.05602	5.9
203.07463	0.4
204.05972	0.2
205.12306	46.0
206.12656	2.2
208.11110	0.4
221.06619	0.3
222.12567	0.4
223.13367	9.1
224.13715	0.3
229.12337	0.4
233.06595	2.3
247.13329	0.4
265.14450	0.3
267.32523	0.2
287.00128	0.2
293.08792	0.5
300.02780	0.4
313.98874	0.8
314.99658	8.4
315.99966	0.6
319.15579	0.9
333.00748	1.0
365.14383	0.5
367.17563	26.3
368.17838	1.4
379.17621	0.3
385.18643	7.8
386.18848	0.6
407.15488	0.7
427.19656	17.5
428.20013	1.6
479.06439	9.9
480.07059	1.1
499.21780	12.3
500.22284	1.0
517.22815	45.5
518.23218	3.8
559.23883	100.0
560.24225	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	559.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03446	2.0
58.00586	1.3
59.01374	83.3
60.01709	0.7
61.98813	0.5
68.99832	0.4
69.03453	0.9
71.01376	44.7
72.01725	0.4
72.99304	2.0
73.02941	26.1
74.22768	0.2
74.81528	0.2
75.00857	0.4
80.54681	0.2
80.96513	0.7
81.03448	0.9
83.01379	5.1
83.05022	0.8
85.02423	0.6
85.02943	13.5
87.00873	2.8
89.02435	28.9
93.03447	0.3
95.01376	3.7
95.05003	0.7
96.96008	0.6
97.02944	3.1
98.20622	0.6
99.00872	55.3
100.01223	0.9
101.02434	18.8
102.02776	0.4
105.07121	0.3
107.01373	0.4
107.05014	0.3
108.05803	0.6
109.02919	0.6
109.06568	0.7
111.00859	0.6
111.04514	0.5
112.01659	0.9
113.02438	24.5
113.06065	1.3
119.03504	2.9
121.06574	0.3
122.03696	0.5
123.08148	1.2
125.02438	4.1
125.06078	1.3
127.04013	0.4
129.01900	0.5
131.03506	5.5
136.05276	2.8
137.06071	0.5
138.06848	8.2
139.07646	2.3
143.03485	3.0
149.04539	11.6
149.05832	0.5
151.00378	0.8
151.07629	7.7
152.08415	19.0
153.09195	41.4
154.09525	1.3
155.03471	1.6
159.02971	0.4
161.04535	8.8
161.09706	2.3
163.11269	2.4
165.09206	1.9
167.07112	0.5
173.04561	0.3
175.07587	0.3
179.05594	0.7
179.10736	1.1
179.98752	0.4
187.11266	0.9
189.09225	0.7
190.09920	2.1
191.05588	13.3
192.06071	0.3
201.12906	0.3
203.05573	4.6
205.12302	47.9
206.12587	1.6
223.13368	9.2
224.13844	0.3
233.06653	2.4
233.10124	0.4
247.13292	0.5
271.00363	0.3
275.07571	0.3
293.08798	0.3
300.02747	0.3
313.98883	0.7
314.99658	5.6
315.99896	0.6
319.15430	0.9
333.00595	0.5
365.14462	0.8
367.17545	25.5
368.17889	1.5
385.18631	8.7
386.18991	0.6
390.16806	0.3
407.15582	0.9
427.19656	17.6
428.20212	1.4
479.06406	6.6
480.06824	0.8
499.21765	11.2
500.22177	1.0
517.22821	46.0
518.23145	3.4
541.15820	0.3
559.23865	100.0
560.24213	7.9
560.32837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89585	0.4
57.03438	0.5
59.01375	10.7
61.98820	2.0
63.96235	0.8
65.60011	0.4
67.01869	0.7
68.84583	0.4
69.03460	0.7
70.94821	0.8
71.01374	12.2
72.13910	0.4
72.99280	0.6
73.02947	6.3
78.98581	5.2
79.95729	9.6
80.96510	57.9
81.03454	1.4
83.01376	1.7
85.02950	4.5
87.00872	3.0
89.02428	4.8
93.03444	1.4
94.98080	13.7
95.01369	0.7
96.96000	10.1
97.02943	1.5
99.00866	7.7
101.02446	5.5
106.98083	2.7
111.08147	0.5
113.02436	3.2
119.03508	0.5
122.97570	3.2
125.02428	4.2
125.40289	0.5
127.03995	0.8
131.03531	1.2
134.97572	4.1
136.99141	1.5
143.03497	0.5
148.99104	4.8
149.04532	3.6
151.00284	0.6
152.98622	4.2
155.03479	0.8
157.57550	0.4
161.04549	2.0
164.97270	0.7
164.98610	10.7
173.04523	3.0
173.57970	0.4
174.25867	0.5
178.99924	0.6
183.78331	0.4
191.05600	4.6
203.05614	0.9
205.12274	0.9
206.99684	2.6
209.11826	2.8
222.79645	0.4
225.00722	16.6
233.06644	0.4
299.04504	3.1
353.06570	0.8
467.05637	0.4
499.21619	0.7
517.23145	1.0
527.18079	3.7
559.20636	100.0
560.21033	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	559.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45125	0.4
59.01368	1.8
61.29178	0.4
63.19378	0.5
63.96224	1.2
69.03434	0.4
70.00709	0.4
71.01371	5.8
71.39104	0.4
73.02953	2.0
78.98582	5.2
79.95730	7.7
80.96511	57.6
81.03473	0.7
83.01388	0.8
83.04980	0.4
85.02941	2.1
87.00861	1.6
94.98080	13.2
96.96004	1.9
97.02953	1.3
99.00864	1.4
101.02426	2.7
106.98084	2.7
113.02482	0.5
113.80206	0.4
118.32803	0.4
122.97578	4.3
123.27425	0.4
125.02425	2.7
127.04011	0.6
134.97572	3.2
136.99118	1.0
148.99115	4.4
152.98630	5.3
153.09184	0.6
164.98624	8.4
167.00221	0.6
182.99660	2.1
191.05713	0.6
206.99692	2.2
209.11827	3.2
225.00731	15.3
226.01048	0.6
243.01768	1.9
299.04327	2.2
472.41669	0.4
527.17981	1.9
559.20581	100.0
560.12177	0.7
560.20801	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	559.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56924	0.6
59.01373	3.9
61.98822	3.6
63.96235	1.7
69.03449	1.6
69.54581	3.2
69.54996	1.0
71.01371	11.5
73.02941	2.5
76.00211	0.5
78.98587	7.9
79.95732	18.7
80.96509	89.0
81.03452	1.4
83.01387	1.0
84.14326	0.5
85.02944	5.0
87.00874	3.9
89.02459	0.8
93.03429	0.7
94.98078	21.6
95.01358	1.1
96.96009	6.3
97.02950	2.2
99.00863	1.2
99.04505	0.6
100.24102	0.6
101.02441	5.2
106.98065	4.5
113.02431	0.9
121.02941	4.4
122.97572	7.9
125.02426	4.6
127.04024	1.4
130.83786	0.6
134.97571	7.2
136.99135	1.9
146.97514	0.7
148.99127	9.6
152.98622	10.3
155.10754	0.6
164.98615	18.2
167.00246	0.7
173.04482	1.0
181.08456	0.6
182.99637	4.4
184.48222	0.5
191.05685	2.9
206.99638	4.9
209.04521	3.7
225.00710	33.6
243.01823	2.8
299.04401	5.0
315.03983	0.7
317.05576	0.7
329.23837	0.7
380.11679	0.6
410.84540	0.6
427.13040	0.9
440.24493	0.6
441.14215	0.9
467.15698	1.6
513.16339	2.7
515.17883	1.0
523.14606	0.7
541.15900	79.5
542.16235	3.7
559.16907	100.0
560.17261	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16192	0.6
57.03447	4.7
57.61542	0.5
59.01376	33.9
60.99287	0.7
61.98855	1.2
63.02396	8.9
65.00317	9.6
67.01891	0.7
71.01382	10.2
73.02602	0.6
73.02934	3.6
78.61550	0.5
79.95767	0.5
81.03447	0.6
83.01385	11.4
85.02953	3.3
87.00883	1.1
88.89886	0.5
88.98806	6.0
89.02431	6.0
93.03446	2.1
95.01395	1.5
96.02188	0.6
96.96016	2.8
97.06612	0.6
98.19826	1.3
99.00852	1.9
100.31993	0.6
101.02422	5.9
107.01381	22.2
107.02110	1.1
109.02971	1.6
111.00886	1.0
111.04547	0.9
113.02451	5.8
119.03494	1.9
123.00898	0.6
124.01646	6.9
125.02443	16.1
133.02969	1.1
135.00854	0.6
137.02449	1.5
143.03561	0.6
146.03656	0.8
151.00357	86.1
152.01151	20.7
153.01929	5.4
154.54335	0.5
159.04433	1.2
161.02441	0.9
161.04585	2.6
163.00366	1.2
165.01859	0.7
169.01405	6.6
172.05267	1.3
173.04556	2.8
173.06061	3.8
175.07648	0.7
177.01883	1.5
178.99840	100.0
180.00215	2.6
181.01436	1.6
187.03984	2.0
187.07637	2.4
188.04797	1.3
189.05545	3.6
190.02710	1.1
191.05595	5.1
193.01407	0.6
197.06093	0.9
199.07678	3.0
200.04750	4.9
201.05540	2.1
202.06284	1.1
203.03458	0.6
205.01585	0.7
212.04852	0.7
214.02750	0.7
215.03770	1.2
215.07095	26.4
216.07681	1.7
217.05231	0.9
217.08640	4.8
225.05611	1.9
226.06340	0.9
227.03569	1.0
227.07088	2.8
228.04164	0.7
232.03737	1.5
237.09285	0.7
239.07141	0.9
240.08044	0.7
241.01361	0.7
241.05022	2.4
242.02200	0.7
242.05783	1.9
243.02972	1.1
243.06580	2.8
253.05031	4.4
254.05818	1.2
255.03018	2.0
255.06636	0.8
263.11172	0.6
265.08691	1.2
267.06595	1.8
268.07135	0.6
269.08350	1.0
270.05234	1.3
271.02478	4.7
271.06116	6.8
272.03253	0.7
272.06281	0.9
277.08496	0.6
280.04263	0.7
281.07843	0.6
283.09995	1.0
291.06644	1.3
292.07309	1.3
293.04858	1.2
293.08221	2.7
296.03140	1.3
298.01251	0.7
299.01929	2.2
300.02710	10.1
305.07935	1.0
311.09082	1.0
321.04089	1.0
322.04831	1.3
323.09247	1.0
325.07092	1.3
333.07681	3.8
335.09375	0.8
336.06375	2.0
350.04208	0.7
351.08636	2.4
353.06613	20.4
354.07224	1.3
361.07111	2.5
369.09995	0.6
378.07349	1.7
379.08176	8.5
380.08511	0.8
396.08694	0.8
397.09235	74.4
398.09482	5.2
433.11325	3.5
499.28964	11.1
517.30292	3.4
523.34839	1.0
559.14478	80.9
559.32324	5.9
560.14777	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	559.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
59.01375	29.7
61.98834	1.8
63.02389	8.8
65.00314	9.6
67.01897	1.4
69.54248	1.6
69.54671	2.6
70.31918	0.6
71.01377	12.7
71.33028	0.5
72.99297	1.3
73.02940	5.3
75.07375	0.7
79.95731	0.7
81.03470	1.0
82.73406	0.5
83.01375	10.1
85.02952	4.3
87.00885	1.2
88.98805	0.9
89.02431	7.7
93.03452	3.4
95.01385	1.8
96.95997	18.3
97.02927	0.6
98.20602	0.8
99.00894	2.6
101.02437	8.1
107.01382	20.7
109.02949	1.7
111.00884	0.8
113.02451	5.6
119.03500	2.8
120.13472	0.5
123.00871	0.9
124.01654	6.8
125.02435	17.3
130.61014	0.6
131.03496	0.9
137.02405	1.5
143.03477	1.6
149.04543	2.6
151.00362	84.6
152.01149	18.7
153.01979	4.4
155.03578	0.7
158.03738	0.6
159.04517	1.6
161.02489	0.8
161.04602	2.9
161.05901	0.6
163.00371	0.8
165.01932	0.9
169.01457	5.7
173.04552	6.1
173.06085	3.3
174.06918	0.7
177.01897	1.6
178.99849	100.0
179.05644	1.7
179.15631	0.6
180.00203	2.1
181.01454	1.3
187.03929	0.8
187.07632	2.6
188.04744	1.7
189.01947	0.9
189.05573	3.6
190.02724	1.2
191.05638	7.4
191.14381	1.1
197.06105	1.2
199.07716	3.1
200.04747	3.8
201.05545	1.7
211.07536	0.8
212.04735	0.9
214.02672	0.9
215.07098	26.3
216.07640	2.0
217.08647	4.9
219.06516	0.9
225.05499	1.8
226.06325	0.9
227.03505	0.7
227.07149	2.2
232.03632	1.7
241.05156	2.9
241.08636	1.0
242.05765	1.2
243.02917	0.7
243.06502	3.0
253.05023	5.9
254.05878	1.6
255.03009	1.9
264.04074	0.7
265.08759	1.0
267.06604	1.6
269.08234	0.9
270.05307	0.9
271.02475	5.3
271.06070	8.0
277.04987	0.8
278.05463	0.7
280.07227	0.9
283.09634	0.7
289.08844	0.6
291.06638	1.2
292.07449	0.8
293.04797	1.2
293.08234	2.3
294.05414	1.3
296.03177	0.8
299.01956	2.1
300.02689	11.7
301.03226	0.9
305.08203	0.7
311.02097	1.5
311.09204	1.2
321.04059	1.0
322.04611	1.1
323.08997	0.7
325.07193	1.7
333.07690	2.7
334.08221	1.0
335.05502	0.8
335.09238	0.9
336.06238	1.7
351.08691	1.8
353.06631	23.7
354.07031	1.3
361.07141	2.3
367.08014	0.7
378.07397	2.2
379.08139	11.6
396.08188	0.9
397.09232	78.9
398.09540	5.4
421.72192	0.7
433.11072	3.2
499.29059	4.6
517.30054	1.6
559.14496	78.3
559.29346	4.7
560.14758	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	559.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.7
57.03387	1.3
57.23814	0.5
58.00539	1.1
59.01297	34.2
59.01630	4.6
61.98739	2.6
65.00241	1.6
69.03400	0.6
69.83862	1.4
69.84256	1.0
71.01296	17.3
71.01714	1.4
72.99232	1.6
73.02857	9.3
73.03296	0.9
75.00826	0.7
75.60161	0.5
78.95827	0.8
79.95655	1.6
80.96431	5.4
83.01289	2.1
83.04951	0.7
84.99543	0.6
85.02851	7.6
87.00774	1.8
89.02441	14.2
89.02953	0.8
94.98007	1.2
95.01310	1.1
96.96000	3.6
97.02872	0.9
99.00872	21.8
99.16189	0.5
101.02444	7.5
106.71656	0.5
107.01375	2.5
111.04413	0.7
113.02441	11.0
118.42961	0.5
119.03377	1.7
125.02448	3.5
131.03494	2.5
136.05226	0.7
138.06874	2.8
139.07597	0.7
143.03415	1.1
149.04565	6.2
149.05708	1.0
150.00682	0.5
151.00374	9.2
151.07521	2.3
152.08411	6.1
153.00105	1.1
153.09204	13.7
155.03423	0.9
161.04520	3.7
161.09634	0.8
163.11197	1.3
164.98605	0.8
164.99994	0.9
165.05417	0.7
165.06729	0.6
165.09111	0.6
167.03476	1.2
173.04469	0.6
178.29036	0.5
178.97960	2.7
178.99683	1.3
179.98859	5.5
180.19765	0.5
180.99684	5.0
191.04213	0.5
191.05603	7.3
193.01299	0.6
194.63483	0.5
203.05515	1.8
204.99452	1.3
205.12312	21.4
206.97437	0.9
215.01660	0.7
219.01147	0.7
221.99582	0.5
223.13385	3.4
225.00699	3.0
233.06630	1.0
243.01048	0.9
247.00549	1.0
247.13435	0.6
255.00298	0.6
255.02933	1.1
259.00549	1.1
271.00452	2.7
287.00195	2.9
297.99222	0.7
299.01892	1.3
300.02744	4.2
313.98886	9.4
314.99655	96.5
316.00052	5.3
332.00061	1.0
333.00735	6.6
367.17548	9.8
385.18704	2.7
394.61755	0.6
424.62921	0.5
427.19684	5.7
479.06482	100.0
480.06763	8.5
499.21799	8.1
517.22833	20.6
517.30542	1.0
527.18170	0.7
532.67017	0.5
541.16949	2.2
559.02124	14.5
559.24225	35.6
560.02765	1.1
560.24475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49133	0.7
57.03439	0.8
59.01375	28.7
61.98811	2.7
69.53738	0.7
71.01376	5.5
71.62764	1.1
73.02944	3.8
78.95899	19.5
79.95749	1.4
80.02670	1.4
80.96511	9.7
81.03437	2.5
83.01384	3.4
83.05014	6.6
84.02183	1.6
85.02956	2.0
87.00864	1.4
89.02423	2.1
93.03426	1.1
94.98071	2.3
95.05032	1.4
95.96160	0.7
96.95993	1.8
96.96962	2.5
97.02932	0.7
97.06567	1.4
99.00867	2.8
101.02409	2.9
111.08185	0.8
113.02425	1.7
116.19448	0.7
122.98537	2.6
125.00060	0.9
125.02414	1.5
125.06082	1.7
125.09741	2.6
128.03471	0.8
134.97557	0.8
135.08138	1.9
148.99161	0.9
151.01579	0.9
152.07199	1.0
152.99597	15.1
161.04541	1.3
163.11282	5.6
164.98621	1.6
165.12805	3.6
168.04317	3.5
171.00705	1.0
173.04523	3.6
180.16765	0.7
181.02646	0.7
181.12300	1.5
191.05594	3.5
191.10745	5.2
199.03656	0.7
207.10233	2.2
209.11804	100.0
210.12128	3.3
223.13391	5.6
224.06929	2.4
225.00691	2.5
225.11324	2.9
226.12099	3.6
227.12862	11.9
241.01146	1.8
241.14430	39.9
242.07997	4.0
242.14755	1.6
243.12199	1.6
246.08063	2.0
259.15372	0.8
381.13132	9.2
400.04044	0.8
407.14661	2.2
426.14719	2.0
452.20459	4.8
466.17014	0.9
466.22046	38.3
467.22583	2.4
484.23108	46.3
485.23395	3.7
541.16779	1.0
558.19202	2.9
559.20612	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	558.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77974	0.2
57.03431	0.2
59.01377	2.8
61.98823	100.0
67.01878	0.2
69.34273	0.4
69.34694	0.9
71.01374	1.1
73.02953	0.5
73.66373	0.1
83.05013	0.3
85.02968	0.3
87.00890	0.2
89.02435	0.5
93.03449	1.1
95.10355	0.1
96.96000	1.0
99.00855	0.2
101.02438	0.9
111.04501	0.2
111.08170	0.5
113.02442	0.5
119.03463	0.2
125.74026	0.2
149.04547	0.2
151.00339	0.3
161.02406	0.1
173.04535	2.3
174.03078	0.2
178.99910	0.4
191.05617	0.7
203.07204	0.3
209.11903	0.3
210.12321	0.2
325.32068	0.2
329.93402	0.2
337.03204	0.3
353.06674	0.3
384.24042	0.5
391.40802	0.1
437.25537	0.2
455.26346	0.2
558.29797	0.5
559.14581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
59.01375	100.0
60.01705	1.0
61.98829	2.1
67.01884	0.3
71.01382	4.9
71.63340	0.6
73.02943	4.2
75.00892	0.4
83.01386	1.2
83.05040	0.4
85.02968	1.2
87.00882	1.2
88.98799	2.3
89.02427	1.8
93.03480	1.7
96.96004	4.9
99.00900	0.4
101.02428	4.0
107.01398	0.3
111.00874	0.4
113.02460	2.0
119.03513	1.0
126.57399	0.4
134.03746	0.7
135.04539	1.4
136.04881	0.4
137.02490	0.5
141.01712	0.5
143.03508	0.5
149.04474	0.6
151.00342	1.6
155.03583	0.3
161.04602	1.0
166.02675	0.3
173.04510	3.1
178.99899	0.9
179.03516	0.6
181.05116	1.0
191.05592	3.1
193.05153	0.7
203.80081	0.3
243.03172	0.3
253.04646	0.3
271.02435	0.5
273.18570	0.5
291.19687	0.8
321.07758	0.7
351.05273	0.5
367.08310	1.1
410.06348	2.8
411.07166	1.2
437.25409	0.4
497.27509	0.5
513.27362	1.8
557.13135	5.4
557.29803	1.5
558.13330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
59.01375	100.0
60.01705	1.0
61.98829	2.1
67.01884	0.3
71.01382	4.9
71.63340	0.6
73.02943	4.2
75.00892	0.4
83.01386	1.2
83.05040	0.4
85.02968	1.2
87.00882	1.2
88.98799	2.3
89.02427	1.8
93.03480	1.7
96.96004	4.9
99.00900	0.4
101.02428	4.0
107.01398	0.3
111.00874	0.4
113.02460	2.0
119.03513	1.0
126.57399	0.4
134.03746	0.7
135.04539	1.4
136.04881	0.4
137.02490	0.5
141.01712	0.5
143.03508	0.5
149.04474	0.6
151.00342	1.6
155.03583	0.3
161.04602	1.0
166.02675	0.3
173.04510	3.1
178.99899	0.9
179.03516	0.6
181.05116	1.0
191.05592	3.1
193.05153	0.7
203.80081	0.3
243.03172	0.3
253.04646	0.3
271.02435	0.5
273.18570	0.5
291.19687	0.8
321.07758	0.7
351.05273	0.5
367.08310	1.1
410.06348	2.8
411.07166	1.2
437.25409	0.4
497.27509	0.5
513.27362	1.8
557.13135	5.4
557.29803	1.5
558.13330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39243	0.8
59.01375	95.4
60.01717	1.0
61.98817	3.3
63.55039	1.0
70.63602	1.9
71.01376	21.6
72.76440	0.8
72.99305	1.1
73.02937	24.9
75.00878	0.8
80.51443	0.9
83.01378	6.6
85.02942	3.4
87.00879	1.3
89.02440	6.4
93.03484	1.0
95.01375	1.2
96.95992	5.7
99.00905	1.4
101.02431	19.2
111.00905	1.3
113.02437	6.2
115.03999	9.2
116.92880	2.0
117.25775	0.9
119.03538	1.9
120.05358	0.8
121.10163	1.1
125.02473	1.1
125.09711	1.8
135.67461	0.8
137.02412	2.1
137.75264	0.8
139.92841	0.9
149.04495	1.1
161.04471	2.4
173.04526	3.5
175.14935	1.0
191.05522	1.4
229.19479	0.9
251.86224	0.8
273.18616	1.6
291.19614	14.6
292.19922	1.5
309.20639	7.1
397.96664	0.9
453.24664	3.1
471.26025	7.6
513.26996	100.0
514.27490	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	556.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56560	0.5
59.01360	1.6
61.98828	2.3
66.47542	0.4
69.76703	2.3
71.40238	0.4
78.95897	13.5
105.27795	0.5
106.91609	0.5
122.00134	0.6
140.01176	2.8
152.99583	2.1
171.00610	1.0
182.79880	0.5
196.03810	2.7
214.04849	3.8
259.20508	0.8
275.19803	0.6
277.21689	100.0
278.22037	4.9
467.07446	0.5
474.26199	42.9
475.26428	3.2
496.23447	0.6
556.25745	1.7
557.26343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
61.98822	1.1
75.85888	0.5
78.95894	5.9
80.96518	5.4
94.98069	1.0
97.49950	0.4
98.19791	0.9
152.98462	0.5
152.99588	0.7
164.98608	0.9
165.45760	0.4
168.04268	1.5
182.88452	0.5
224.06908	0.7
225.00687	1.0
242.08067	2.5
255.23103	0.5
268.24847	0.6
281.24823	100.0
282.25156	6.3
491.04233	0.6
506.32446	37.3
507.32700	3.0
517.38776	0.5
556.28668	9.4
557.28564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38341	1.0
59.01381	11.8
71.01384	4.5
72.99297	1.5
73.02954	2.7
79.55938	1.1
83.05042	3.6
85.02957	1.8
89.02445	5.1
96.95971	1.3
99.00910	1.8
101.02430	5.5
112.16240	0.9
113.02483	3.0
127.25753	1.1
149.04552	2.5
161.04582	1.9
163.11194	1.7
165.12894	1.7
173.04532	2.4
191.05684	2.0
198.53662	1.0
209.11804	100.0
210.12111	4.3
227.12869	16.6
253.09268	13.2
361.46991	1.2
445.20749	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	555.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24150	1.9
56.23954	1.9
59.01376	100.0
60.25432	2.1
71.01385	20.8
71.08430	5.5
73.02941	20.2
80.21841	2.4
83.01367	3.8
85.02944	4.7
89.02439	10.4
99.00850	2.8
101.02435	21.1
113.02431	10.6
119.03504	3.6
134.82497	2.2
135.05031	2.0
151.07614	7.3
152.08403	6.7
161.04478	5.8
203.10832	2.2
240.01067	2.4
273.18710	2.3
291.19888	2.3
327.73663	2.2
417.22540	4.6
435.23755	52.5
436.24213	2.7
453.24957	26.6
495.25876	57.4
496.26340	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	555.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03446	2.1
58.00596	1.1
59.01375	100.0
61.98841	2.1
69.35635	6.4
71.00986	1.4
71.01377	27.2
72.99319	1.8
73.02940	27.5
73.03333	1.5
83.01376	8.5
85.02949	7.1
87.00880	1.5
89.02447	11.2
93.18227	0.7
95.01398	1.7
96.96032	2.4
99.00861	1.5
101.02439	30.9
113.02441	12.2
119.03508	5.5
125.02464	1.6
131.03554	1.5
135.04494	1.6
136.05273	1.0
143.03545	2.7
149.04584	2.1
161.04559	6.4
168.07939	6.7
177.09201	0.9
179.05769	1.3
191.05800	0.9
253.15977	3.7
271.17041	11.9
289.18137	4.9
423.16837	2.4
433.22305	21.9
434.22717	1.7
451.23331	18.9
452.23904	2.0
458.14478	1.3
475.23734	1.4
481.24847	1.3
489.92514	0.8
493.24399	10.8
494.24377	1.0
511.25616	1.4
550.90662	0.8
555.20850	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	555.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29410	0.9
52.39401	0.9
54.21198	0.9
54.64214	0.9
55.01876	1.0
55.38626	0.8
57.03450	1.0
58.00579	2.0
58.33366	0.9
59.01375	100.0
61.98817	1.7
69.03461	1.0
69.93075	5.3
71.01379	23.5
72.99287	1.4
73.02940	26.9
83.01367	6.6
85.02943	7.9
87.00880	2.6
89.02435	14.6
95.01360	2.5
96.96018	1.4
97.02925	1.0
99.00829	1.8
101.02431	33.3
108.33967	1.0
111.04539	1.3
113.02437	13.5
119.03493	6.8
122.03730	6.1
125.02396	1.4
127.46825	1.1
131.03476	2.5
136.05298	4.6
137.06065	9.4
138.06885	1.1
143.03470	3.6
149.04544	3.6
161.04523	9.3
168.07892	15.9
168.09200	1.5
173.04626	1.3
179.05556	2.9
189.09213	2.1
191.05588	1.2
201.09140	1.2
203.10733	2.6
204.11333	1.9
245.04462	1.7
259.16974	4.0
277.18091	3.0
297.00439	1.1
403.21152	2.7
421.22235	14.4
422.22482	1.2
439.23315	15.2
451.23309	27.9
452.23703	2.0
458.14264	1.3
463.23480	2.9
469.24435	5.9
481.24384	32.3
482.24628	2.9
511.25397	36.9
512.25732	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	555.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.0
57.03418	3.3
57.83528	1.6
59.01374	100.0
61.98823	2.1
62.15751	1.7
69.54560	12.6
69.54951	4.1
71.01375	45.4
72.99306	3.2
73.02938	22.2
75.00845	2.4
81.03473	2.4
83.01369	6.4
84.50253	1.8
85.02937	23.3
87.00847	3.4
88.98808	1.7
89.02436	22.6
89.75301	1.6
93.03457	2.2
95.01399	3.1
96.95988	13.1
97.02969	2.4
99.00878	25.7
101.02434	32.3
111.00848	3.7
112.01595	2.8
113.02444	19.2
118.09850	1.8
119.03499	3.9
120.99600	2.2
123.08130	2.8
125.02394	3.0
131.03482	2.9
143.03534	3.8
149.04509	7.0
159.03001	3.9
161.04536	11.1
161.05675	1.6
163.11247	3.4
167.03484	1.9
170.88332	1.7
173.04517	2.0
173.11778	2.4
175.03986	2.3
175.13364	6.5
177.96355	1.7
179.05638	2.1
189.12851	2.8
191.05597	11.6
200.28387	1.8
207.13829	4.8
319.17630	17.1
337.18600	20.8
379.19684	6.0
391.98737	2.2
449.90036	1.8
451.21762	34.4
469.22815	41.9
470.23148	3.3
475.74005	2.0
495.24609	3.8
504.86053	2.1
511.16342	3.8
511.23904	66.6
512.24164	5.1
517.15424	2.1
517.22736	3.3
519.24426	84.0
520.24854	8.6
555.22095	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12402	0.2
59.01093	0.2
59.01375	4.1
65.99743	0.1
71.01364	0.7
71.63287	0.3
73.02943	0.4
75.69475	0.1
78.95904	1.6
79.95734	2.9
85.02969	0.2
89.02443	0.3
96.96005	100.0
97.95950	0.2
101.00774	0.1
101.02429	0.5
101.36674	0.2
113.02430	0.3
113.92589	0.2
114.93408	0.7
161.04486	0.2
173.04614	0.2
191.05682	0.2
192.99927	0.1
209.11821	1.0
413.21646	0.3
451.23270	0.5
511.25418	0.3
516.61816	0.2
546.44110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
60.28354	11.1
61.98825	23.7
69.87711	20.9
69.88109	35.4
71.01373	52.8
73.02950	13.0
75.00871	10.7
85.02962	19.1
88.98771	24.4
89.02419	23.9
96.95979	42.9
101.02428	23.7
103.00354	17.8
112.95316	12.3
113.02443	19.0
128.56566	11.6
139.70355	11.6
156.43839	13.0
173.04497	33.2
191.05576	52.0
196.80580	12.5
212.78755	11.6
225.05289	12.9
253.04668	14.6
309.07687	11.2
327.12283	36.1
339.12302	53.2
376.32111	11.1
382.73111	12.1
417.00275	13.1
555.21362	19.5
555.29633	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29626	0.5
59.01089	0.9
59.01376	16.6
61.98817	3.0
64.44777	0.4
64.93634	0.5
69.46925	0.5
71.01368	0.8
78.95895	5.2
78.98601	0.7
79.95744	0.8
80.96518	6.9
94.98085	1.2
101.02400	0.5
122.97577	0.8
134.97559	0.9
148.99123	0.6
152.98497	0.7
152.99585	1.3
154.15236	0.4
164.98622	1.1
168.04338	1.6
224.06920	0.5
225.00729	1.5
226.01013	0.5
229.52484	0.5
242.08047	1.2
255.23277	100.0
256.23587	4.3
279.23285	0.8
374.46255	0.5
394.13345	0.6
480.30927	37.1
481.31192	2.6
554.27197	12.9
554.34656	0.5
555.26947	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	554.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94066	0.3
59.01374	21.4
61.98829	5.2
68.26332	0.3
71.63335	0.5
78.95901	17.7
78.98640	0.3
79.95745	0.4
80.96512	1.8
94.98057	0.6
122.98551	0.5
148.27756	0.4
152.99603	3.0
154.87204	0.3
157.82089	0.3
168.04320	2.9
210.98271	0.3
224.06911	8.0
225.00723	0.5
242.07928	1.8
244.59116	0.3
255.23268	100.0
256.23584	4.3
480.30887	66.5
481.31287	4.0
552.84143	0.4
554.27142	2.6
555.28070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56456	0.2
54.92207	0.2
59.01369	0.6
61.98837	0.3
71.01350	0.2
78.95898	6.2
79.95723	0.3
80.96513	1.9
94.98086	0.3
152.99583	1.0
164.98680	0.3
168.04317	1.3
224.06920	0.8
225.00731	0.4
242.07988	2.6
261.22269	0.3
279.23251	100.0
280.23605	5.9
504.30911	38.2
505.31213	3.7
554.27155	3.4
555.26917	0.2
571.39807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11436	0.5
55.01878	0.9
57.03438	1.8
59.01374	100.0
60.01706	0.8
61.98829	1.3
71.01376	15.4
71.62524	0.6
72.99298	1.1
73.02943	6.5
75.00858	0.7
78.95921	0.7
82.95420	2.2
83.01382	2.7
85.02943	6.7
87.00867	1.0
89.02449	4.2
93.03461	2.2
95.01406	0.7
96.95997	4.4
99.00880	3.0
101.02436	14.0
111.04551	0.5
113.02432	6.9
119.03532	1.9
119.05047	0.6
125.02509	0.5
129.01959	0.8
135.04515	15.6
137.02480	0.7
139.07671	0.7
140.13843	0.6
143.03500	1.0
143.10759	0.8
152.99622	0.8
155.07161	1.7
159.02998	1.7
161.04555	9.9
173.04530	3.1
178.79556	0.5
179.03464	15.4
191.05594	3.7
279.68405	0.7
313.21625	2.8
335.20755	2.2
377.21863	1.5
449.23938	1.0
467.24911	5.8
468.25339	0.7
490.65717	0.8
493.28067	19.6
494.28940	1.7
509.25949	15.1
510.26764	1.5
553.24622	2.4
578.73828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92051	0.5
55.68885	0.5
57.26159	0.5
59.01361	1.1
61.98828	17.5
63.96211	1.0
69.03430	0.8
70.85371	1.0
70.85716	0.7
71.01382	6.0
73.02936	1.0
78.95889	0.7
78.98596	5.0
79.95731	7.8
80.96512	55.1
85.02956	1.9
87.00867	2.7
94.98080	13.1
96.95994	1.8
97.02940	1.2
101.02449	3.0
106.98077	2.3
119.23540	0.5
122.97570	4.3
125.02438	3.2
127.03979	0.8
134.97577	3.4
136.99112	1.5
143.23436	0.6
148.99136	5.5
152.98599	5.4
164.98602	10.9
182.99652	2.0
206.99622	2.5
224.98576	1.1
225.00728	15.3
243.01826	1.3
253.21745	3.3
279.23245	1.4
299.04337	2.1
352.89319	0.6
553.26831	100.0
554.27032	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	553.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03443	1.1
58.00575	0.6
59.01376	100.0
59.51206	0.6
61.98838	2.4
69.53243	3.9
71.01379	16.5
72.99303	1.2
73.02941	9.6
83.01385	3.3
85.02946	9.9
86.00112	0.6
87.00880	1.7
89.02436	5.0
90.08116	0.5
93.03474	1.4
95.01390	1.2
96.96018	2.5
97.02953	0.9
99.00889	4.4
101.02441	17.0
111.00898	1.3
113.02450	7.3
119.03520	1.3
125.02448	0.7
127.93586	0.5
129.02002	0.6
131.03456	1.2
135.04518	2.8
137.06067	0.6
141.01848	0.5
143.03513	1.6
155.07167	1.7
159.03020	1.8
161.04559	6.9
173.04585	1.5
179.03505	1.8
179.05438	0.4
191.05542	2.6
210.79095	0.5
236.32635	0.5
313.21835	1.6
317.19766	1.2
335.20761	8.0
377.21777	3.6
449.24054	1.8
467.24936	13.0
468.25259	0.8
493.28055	13.9
494.28534	1.3
509.26025	34.4
510.26364	2.5
511.26392	0.7
553.24475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
58.00592	0.9
59.01376	70.9
60.01701	1.0
60.99291	1.6
61.98813	2.3
63.36136	0.7
71.01376	21.0
71.63209	1.3
72.99294	1.2
73.02939	8.2
77.12937	0.7
78.95879	0.8
83.01375	3.4
83.05048	0.7
85.02943	8.3
87.00861	2.4
88.98792	7.0
89.02440	17.1
93.03458	2.4
95.01384	1.9
96.95996	7.0
97.06592	1.1
99.00902	4.5
99.04502	2.1
101.02431	16.4
109.06616	0.8
109.58218	0.8
111.00811	0.9
112.18830	0.7
113.02438	9.6
119.03515	5.5
121.02921	0.9
121.05077	8.6
125.02513	0.7
127.04095	1.1
131.03491	1.1
135.04465	1.0
143.03491	1.8
148.03862	0.7
149.04559	3.8
161.04590	4.4
163.06110	1.1
165.12898	0.9
173.04520	2.5
179.05606	1.7
191.05630	9.5
207.13809	1.3
209.11848	4.8
225.14935	3.7
227.12878	19.7
229.14355	1.9
233.06558	1.8
265.09174	5.0
269.13849	2.2
281.61957	0.7
283.10294	5.9
293.08725	1.1
325.11212	1.7
449.27399	4.1
467.28305	1.2
490.29727	0.9
517.22742	3.4
535.23938	6.3
553.24933	100.0
554.25177	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	553.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87500	0.5
55.01870	1.8
57.03455	2.0
58.00580	0.9
59.01376	100.0
61.39235	0.5
61.98826	1.0
67.01887	0.5
69.03474	0.9
69.09779	0.5
69.35142	2.2
69.35575	2.5
71.01373	17.9
72.99287	0.7
73.02939	10.0
75.00876	0.9
83.01371	3.9
85.02941	10.6
85.03760	0.5
85.16455	0.6
87.00881	1.0
89.02434	5.3
93.03445	1.4
95.01384	1.6
96.96011	2.2
99.00858	5.0
101.02435	18.4
109.02938	0.6
111.00865	1.5
111.08173	0.7
111.48836	0.5
112.01678	0.6
113.02436	8.5
119.03541	1.2
120.82833	0.5
125.02404	1.1
131.97299	0.5
135.04547	2.2
143.03510	1.4
144.90355	0.5
155.07114	2.9
159.03011	1.8
161.04555	8.5
173.04550	0.8
179.03423	0.9
180.51500	0.6
191.05621	2.4
205.01328	0.5
269.17624	0.6
271.71625	0.6
313.21869	1.9
317.19717	1.2
335.20700	6.5
377.21817	4.2
379.61832	0.6
449.23700	2.9
467.24936	16.9
468.25244	0.6
481.27075	0.5
493.28027	12.9
509.25964	38.5
510.26703	2.7
511.26019	0.6
541.04547	0.6
553.30573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
60.35950	0.2
61.94981	0.2
61.98830	1.0
71.01378	2.4
71.62756	0.3
73.02944	1.4
78.95903	0.3
79.95745	2.6
81.03378	0.2
82.30124	0.2
83.01376	0.4
85.02942	0.7
87.00867	0.4
87.92644	0.2
89.02429	1.3
93.03454	0.8
96.96003	100.0
97.06380	0.2
97.95907	0.3
99.00883	0.3
101.02434	1.8
109.31071	0.2
111.04520	0.2
113.02478	1.1
114.10229	0.2
119.03472	0.3
127.13943	0.2
130.08751	0.3
135.04518	1.7
146.03719	0.5
149.04550	0.3
151.00307	0.3
161.04538	0.5
172.09738	0.3
173.04521	1.6
179.03520	0.4
179.05692	0.3
179.07111	1.0
191.05585	2.1
201.11275	0.7
209.11768	0.6
234.65411	0.2
250.76047	0.2
257.38428	0.2
287.09607	1.4
305.10614	0.8
341.08932	0.2
449.14926	0.4
467.15845	10.4
468.16241	0.5
491.16440	0.2
493.22708	1.2
509.16895	32.3
510.17285	2.1
511.23572	0.4
515.13977	0.5
535.14917	1.9
553.15967	12.7
554.16125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	0.4
59.01377	6.7
61.98822	0.8
69.49999	0.2
70.25104	0.2
70.54808	0.5
71.01373	2.0
72.99287	0.3
73.02941	1.4
75.00831	0.2
77.43675	0.2
78.95860	0.9
79.95741	3.2
83.01393	0.5
85.02961	1.1
87.00879	0.3
88.98804	0.4
89.02446	0.8
93.03473	0.7
94.98076	0.2
96.84731	0.2
96.96004	100.0
99.00875	0.3
100.24283	0.2
101.02427	1.9
113.02456	1.0
114.93387	0.4
119.03554	0.3
119.19408	0.2
125.02359	0.3
128.90155	0.3
135.04512	1.1
143.03436	0.5
148.25089	0.2
149.04552	0.3
161.04518	0.5
173.04517	1.1
179.03497	1.4
191.05632	1.4
191.07210	0.3
309.71841	0.2
391.15927	0.2
449.27414	0.3
467.15576	0.4
493.25781	1.0
509.27313	0.3
511.27249	0.6
553.12799	0.2
553.26190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43493	0.4
54.93253	0.4
59.01373	0.5
67.01879	3.8
71.01402	0.6
71.28487	0.7
78.95918	0.6
85.02956	1.2
91.19939	0.5
96.95980	0.6
106.29211	0.4
111.00870	92.4
112.01215	1.8
122.72060	0.4
125.37082	0.5
135.02960	0.5
136.98773	1.4
137.72292	0.5
148.96457	1.3
166.97501	62.1
167.97820	0.8
175.02483	0.5
191.05669	0.4
192.95432	5.9
210.96471	100.0
211.96837	2.3
237.04057	0.5
328.28915	0.5
341.10828	0.9
381.75827	0.4
405.24902	0.5
454.75385	0.5
553.07806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68900	0.2
52.50745	0.2
59.01377	16.0
61.98811	0.4
71.59155	0.4
78.95901	10.3
89.75568	0.3
113.09640	0.2
115.62704	0.2
122.78889	0.2
152.99586	1.6
155.42645	0.3
168.04260	1.7
176.65007	0.3
224.06924	2.6
242.07999	2.6
253.21698	100.0
254.22078	4.7
277.21695	19.0
278.22144	0.7
458.24301	0.3
478.29358	36.7
479.29727	2.5
502.29364	15.4
503.29926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04842	0.2
59.01373	0.3
61.98826	100.0
71.01385	0.6
71.63645	0.4
78.95910	0.6
79.73526	0.2
79.95739	0.6
80.96510	5.2
83.49876	0.2
85.02971	0.3
87.00892	0.2
94.98064	1.1
96.96021	0.6
108.86014	0.2
122.97570	0.5
125.02430	0.3
128.12421	0.3
134.97595	0.4
148.99179	0.7
152.98590	0.4
152.99678	0.4
164.98633	1.0
199.09775	0.2
206.99590	0.3
225.00705	1.4
253.21741	0.9
254.22113	0.5
255.22273	0.5
256.22525	0.2
280.23718	0.4
341.04019	0.3
447.83957	0.3
459.50085	0.2
535.60498	0.3
552.29999	0.4
553.26843	10.9
558.75861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47147	0.2
57.89503	0.2
59.01373	1.1
68.86189	0.2
69.88248	1.0
71.01382	0.4
71.10975	0.2
78.95897	6.9
152.99576	1.3
168.04303	1.3
224.06842	1.1
233.22772	0.4
242.07951	3.2
259.20578	0.6
275.20193	0.5
277.21674	100.0
278.22037	4.3
430.25546	0.3
502.29333	46.2
503.29672	3.3
552.25488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52432	0.4
58.06496	0.4
59.01377	16.8
61.98820	1.3
70.35784	1.5
78.95899	23.6
80.90407	0.4
80.96494	1.2
84.20204	0.4
145.92502	0.4
152.99596	4.4
168.04297	4.3
195.67726	0.4
224.06906	7.9
234.13948	0.4
239.16953	0.4
242.07974	4.6
253.21698	100.0
254.22017	4.7
275.20093	0.6
277.21695	73.0
278.22058	3.5
478.29330	33.6
479.29596	2.8
502.29364	65.4
503.29590	4.5
552.25684	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	551.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03448	2.5
59.01375	60.5
60.01722	1.0
61.98827	3.4
69.55225	5.9
71.01382	16.2
72.25264	0.8
72.99313	1.5
73.02952	9.0
80.96510	2.8
83.01373	5.3
85.02953	10.3
86.00114	1.0
87.00882	3.2
88.98789	1.7
89.02450	4.9
93.03447	1.3
95.01392	1.9
96.96003	7.4
97.02965	1.0
99.00886	3.7
99.08149	1.4
101.02443	14.1
111.00859	2.4
113.02444	6.9
129.09264	2.1
140.46791	0.8
143.03462	0.9
149.04512	1.2
155.03439	1.1
155.43840	0.9
161.04533	2.0
173.04517	3.6
191.05528	4.5
271.73343	0.9
285.20718	5.4
303.21765	7.1
310.26129	1.1
333.19312	1.0
429.24881	3.0
447.26001	20.3
448.26602	1.7
465.27295	13.2
507.28226	100.0
508.28442	7.5
509.28702	1.7
551.18030	2.3
551.31104	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	551.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11961	0.6
55.01869	1.3
55.34475	0.8
55.36056	0.7
59.01375	91.4
60.01727	0.9
60.87192	0.7
60.99302	0.9
61.98833	6.8
67.01843	0.7
70.99878	1.1
71.00220	1.2
71.01373	14.7
72.99309	1.0
73.02947	5.8
78.95912	0.6
82.95435	0.6
83.01373	3.5
83.76125	0.7
85.02952	9.4
87.00871	1.1
88.98790	3.2
89.02431	3.6
90.79569	0.6
93.03467	3.5
96.96008	5.7
97.02989	0.8
99.00883	2.7
101.02433	9.7
111.00852	0.9
113.02434	6.3
115.00350	0.9
119.03472	1.2
119.05035	1.2
125.02464	1.0
129.09207	0.8
135.04445	1.5
137.06027	1.6
159.02901	1.2
161.04584	3.1
163.03964	1.5
173.04562	3.1
174.01675	2.9
179.03461	1.6
189.55212	0.7
191.05576	5.5
243.19746	1.2
286.68906	0.8
319.40204	0.7
405.25229	0.9
431.26575	0.9
447.26202	4.3
465.27435	3.6
489.26965	3.5
507.28064	100.0
508.28430	7.9
551.24170	3.0
552.28137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35859	0.5
50.45296	0.6
53.70996	0.6
55.01879	0.8
57.03448	0.7
59.01376	90.1
61.98831	9.3
68.37212	0.6
69.03482	0.6
69.38850	0.6
70.38255	0.8
70.38579	1.3
71.01375	9.2
72.99306	0.7
73.02941	4.0
75.00851	0.6
78.95922	0.9
83.01377	3.0
85.02948	6.7
85.81263	0.6
87.00886	0.7
89.02450	1.7
93.03455	1.3
95.01373	1.2
96.96015	1.3
99.00903	1.6
101.02448	9.4
111.00867	1.3
113.02441	4.5
121.03023	1.1
125.02478	0.7
129.01973	0.6
130.86526	0.6
133.03030	0.7
134.61165	0.6
137.02469	0.6
143.03477	0.9
161.04494	0.7
163.03978	0.7
171.10312	0.8
173.04515	2.6
177.01909	3.8
179.03513	0.6
191.05586	3.0
269.54199	0.6
327.21689	0.8
363.90631	0.6
390.33850	0.6
404.82947	0.6
405.24896	1.4
447.25964	3.0
463.37311	0.7
465.27200	3.5
489.27145	4.7
507.28061	100.0
508.28302	8.4
552.29187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74160	0.5
54.82790	0.6
59.01379	1.4
59.67003	0.6
61.98827	1.3
63.96241	1.0
70.45376	1.2
71.01372	6.5
73.02940	1.7
76.04123	0.7
78.38606	0.6
78.95895	2.3
78.98598	5.4
79.95732	8.3
80.96513	53.3
81.03466	0.9
85.02953	2.9
87.00872	2.3
94.98078	13.9
96.95995	2.2
97.02917	1.5
99.00887	0.7
101.02439	2.3
106.98079	2.8
122.97601	4.6
125.02428	2.7
127.03993	1.3
134.97597	4.3
136.99120	0.7
148.99123	5.2
152.98598	4.8
152.99603	0.8
164.98602	9.3
173.89041	0.6
182.99692	2.7
206.99669	2.6
225.00722	13.5
243.01756	2.1
251.20132	2.6
277.21704	8.1
299.04358	2.0
502.29306	4.4
551.25275	100.0
552.25757	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	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
58.00592	1.4
59.01374	59.1
60.01729	1.5
60.99288	1.4
61.98827	2.5
67.01885	1.2
71.01373	22.7
71.63150	1.4
72.01728	1.3
72.99301	1.5
73.02943	8.8
75.00857	1.3
80.55020	1.0
80.64219	1.0
82.92438	1.0
82.95439	1.4
83.01366	4.8
85.02930	10.2
86.00114	1.0
87.00868	4.3
88.98803	13.7
89.02436	8.6
93.03450	2.7
95.01376	1.7
96.95998	9.9
97.02950	1.7
99.00862	4.2
99.08134	1.7
101.02438	14.6
101.06091	1.0
111.00893	2.3
111.04496	1.1
113.02451	7.5
116.92797	1.0
119.03458	2.3
121.02891	1.0
125.02451	2.6
129.09238	1.3
131.03526	1.3
137.02379	1.6
151.00278	1.5
159.02905	1.1
161.04492	2.4
173.04561	7.5
191.05608	7.9
196.14218	1.0
201.11107	0.9
223.08459	1.0
227.42110	0.9
255.03082	1.0
285.20749	6.2
303.21732	15.1
375.20056	3.7
376.20660	2.5
377.20801	5.0
429.24982	1.4
447.25967	18.6
448.26266	1.2
465.27209	23.6
466.27426	1.7
473.04504	1.1
491.29199	2.2
507.28195	100.0
508.28702	7.7
509.29575	1.8
551.25287	10.1
551.31122	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	551.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	7.3
60.99295	1.1
61.98856	1.5
63.72194	0.9
67.01898	2.0
69.80618	1.7
69.80911	5.6
71.01382	3.6
71.18587	0.9
72.99294	1.4
73.02953	1.9
79.95727	1.3
82.95388	1.0
83.04995	1.1
85.02949	12.8
87.00877	6.6
88.04053	1.0
89.02436	2.4
93.03454	16.5
96.96004	13.0
96.96622	1.3
96.96859	0.9
99.00898	1.9
101.02455	1.3
102.98607	2.6
109.02937	3.3
111.04512	3.0
113.02457	1.6
117.00174	3.0
119.05023	11.8
120.99647	8.5
121.02983	1.2
124.01581	1.0
125.02437	1.7
127.04004	3.1
133.02939	7.9
134.03737	3.0
135.01213	46.2
135.04520	42.9
136.01653	1.7
137.02423	1.9
139.03961	1.1
145.02983	2.2
147.04523	9.3
150.03162	2.0
151.04021	1.1
153.00183	3.2
155.03503	1.6
161.02432	43.7
161.06064	1.2
162.02930	1.4
163.03990	11.4
165.00195	1.3
165.85776	1.1
171.02950	1.3
173.01166	1.1
173.02376	5.3
173.04553	16.8
175.03970	1.7
175.48201	1.0
176.01138	3.8
177.01915	37.0
179.01929	1.9
179.03484	8.5
179.31508	1.0
180.99626	6.5
181.03304	1.2
191.03607	6.5
191.05589	100.0
192.05904	2.2
193.05042	1.3
198.97388	32.3
199.00449	4.9
205.05009	4.4
207.01196	6.0
211.00674	12.7
224.47725	0.9
224.98602	5.4
226.64301	0.9
227.09198	1.5
236.98563	6.6
251.03792	1.1
269.01218	21.6
270.97379	4.0
295.02689	1.5
295.79901	0.9
297.09656	6.9
315.00034	4.1
325.09149	1.2
333.00980	1.4
341.08749	1.9
351.07126	2.2
353.08139	1.2
358.98965	72.6
359.99295	3.4
365.08685	21.3
376.99847	2.1
487.08987	2.7
515.14130	2.7
551.04999	29.8
551.12061	3.4
552.05688	1.8
554.37994	0.9
563.50348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03442	1.8
57.65831	0.1
58.00589	0.3
59.01374	100.0
60.01701	0.6
61.98826	2.2
67.01889	0.1
68.99805	0.2
69.03445	0.8
69.30401	1.0
71.01379	12.7
71.05009	0.2
72.99311	0.8
73.02943	4.6
75.00872	0.4
78.98597	0.1
79.95726	0.1
80.50270	0.1
80.96516	0.9
81.03429	0.2
83.01381	4.3
84.02148	0.2
85.02946	9.0
86.00065	0.6
87.00861	0.9
89.02437	0.6
93.03454	0.4
94.98085	0.3
95.01379	2.0
96.96002	0.3
97.02956	1.3
99.00876	2.2
100.29993	0.1
101.02435	8.9
111.00884	1.4
112.01638	0.6
113.02442	6.1
115.04018	0.6
117.05585	0.3
119.03535	0.1
124.01649	0.3
125.02427	1.1
127.11277	0.3
129.01927	0.3
137.02444	0.2
137.09695	0.2
141.01910	0.2
141.12868	0.5
143.03490	1.6
148.99101	0.1
151.00363	0.1
153.12637	0.1
155.10817	0.2
159.02989	0.7
159.04166	0.1
161.04535	2.0
164.98563	0.1
171.13918	1.5
173.04543	0.5
173.05829	0.1
185.15451	0.4
187.04024	0.2
187.07645	0.3
191.05615	0.5
200.04720	0.1
201.05573	0.4
201.09180	0.1
202.06242	0.2
203.06993	0.1
215.07079	0.2
225.00763	0.2
229.08685	0.7
230.09453	0.5
239.20103	0.1
279.23190	0.6
293.24667	0.1
297.24271	0.4
299.25885	3.1
300.26425	0.2
311.25937	0.3
325.27362	0.1
327.29044	0.5
337.18344	0.2
343.28485	0.3
345.30051	7.2
346.30463	0.3
366.13864	0.1
375.21915	0.1
387.31003	0.3
415.30396	0.2
441.32288	0.7
452.16837	0.3
453.32153	0.2
459.33585	0.6
461.31070	0.1
471.33038	0.2
489.34277	56.7
490.34637	4.2
494.62714	0.1
507.35312	22.6
508.35660	2.0
549.19830	1.4
549.36731	1.8
550.20782	0.1
550.37152	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	549.3275
Annotation	A 108836
Peak:m/z	Relative Intensity
57.03434	1.5
59.01093	0.4
59.01374	7.7
60.99291	0.6
61.43809	0.3
61.98809	0.5
65.03960	0.3
67.01886	4.5
67.05580	0.3
68.78717	0.3
69.03452	1.6
69.48533	0.3
69.48854	2.6
71.01379	4.6
71.05011	0.3
72.99281	0.3
73.02950	0.9
81.03458	0.8
83.01379	0.5
83.05026	1.2
85.02948	1.8
86.33754	0.4
87.00881	0.9
89.02435	0.4
93.03451	29.0
94.03813	0.5
95.45557	0.3
96.96006	3.7
96.96944	0.4
98.20598	0.6
98.67706	0.3
98.95567	0.5
99.00853	0.5
99.04493	0.4
101.02421	1.5
101.37191	0.4
109.02966	1.0
111.00867	1.3
111.04522	5.9
113.02433	1.4
115.34435	0.4
115.92072	1.5
116.92845	0.9
126.83843	0.3
127.03999	0.7
135.04439	0.4
137.02434	6.3
137.03476	0.6
153.09122	0.5
155.03503	5.7
157.12311	0.7
169.12343	0.6
173.04533	100.0
174.04916	1.6
185.11862	0.9
191.05637	2.9
215.12784	0.6
255.84427	0.3
287.56650	0.4
329.23349	1.0
357.26477	1.1
373.25986	1.0
375.27457	42.5
376.27878	2.2
445.24396	0.8
463.25482	1.2
505.26566	5.1
549.32800	42.4
550.33148	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	549.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.4
61.98819	0.4
63.59283	0.3
66.61235	0.3
69.39146	2.7
71.01365	3.0
73.02932	0.9
74.54755	0.4
78.95892	1.3
84.04764	0.3
85.02946	0.7
87.00858	0.4
89.02444	2.9
98.20679	0.7
99.00853	0.3
101.02442	2.4
113.02431	1.6
113.90951	0.3
119.03482	0.9
120.88223	0.3
121.02982	0.3
133.05014	0.3
152.99602	1.8
161.04532	1.1
190.57089	0.3
235.08133	1.7
253.09271	12.0
253.21696	100.0
254.22037	5.1
254.66402	0.3
323.23541	0.3
374.65219	0.3
489.30099	0.4
549.28326	0.9
574.38281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77598	0.1
59.01373	0.3
69.26464	0.8
69.26865	0.1
71.01379	0.2
78.95893	0.9
79.95733	2.7
85.02924	0.1
89.02409	0.1
96.96004	100.0
97.95946	0.2
133.02994	0.1
161.02411	0.5
173.04587	0.2
191.05563	0.2
254.80708	0.1
549.23224	0.4
550.32080	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	549.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10161	0.7
57.03433	1.4
59.01372	30.3
60.99310	0.8
67.01891	5.6
69.03449	0.9
69.69123	4.3
71.01370	17.2
72.99294	1.5
73.02941	2.8
81.03470	1.5
83.01382	1.6
83.05031	1.7
85.02923	4.2
87.00857	1.0
89.02438	14.1
89.02981	1.0
89.11847	0.7
93.03452	32.8
96.96012	1.3
99.00903	1.4
99.04507	1.1
99.92565	1.3
101.02422	8.0
109.02921	0.8
111.00941	1.1
111.04524	5.5
113.02429	6.2
116.92854	15.6
117.01921	1.0
119.03473	3.8
133.02872	0.8
134.87309	0.8
137.02423	7.0
149.04427	0.9
151.96318	0.7
155.03461	5.8
158.99516	0.9
173.04523	100.0
174.04860	2.9
191.05624	4.6
195.13890	4.2
207.13895	1.9
209.11804	1.4
213.14912	1.7
240.04189	1.3
263.07123	1.8
281.07950	1.8
283.06290	1.5
297.11899	1.0
301.07104	1.8
309.07593	7.5
323.09164	0.9
324.10080	6.3
339.12338	13.0
340.12543	1.0
375.20154	38.7
376.20532	2.0
445.24411	0.9
505.26373	5.0
549.25342	74.2
550.25635	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	549.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03450	2.4
58.00589	3.8
59.01376	100.0
60.01715	0.6
61.98816	2.7
65.13216	0.5
71.01379	80.5
71.62552	0.6
71.62904	0.6
72.99308	6.8
73.02943	6.7
75.00861	1.2
79.95741	0.6
81.03462	0.5
83.01382	4.2
83.41181	0.6
85.02947	16.8
85.03442	1.1
86.96754	0.4
87.00864	5.5
87.63584	0.5
88.98807	0.9
89.02439	91.6
90.02788	1.1
93.03474	1.1
95.01378	5.2
96.96006	10.4
96.96944	0.5
97.02994	0.6
98.95576	0.8
99.00877	2.8
101.02437	54.6
109.02949	0.7
111.00857	0.8
113.02445	32.8
114.02808	0.6
115.00342	0.7
119.03497	39.1
121.02985	1.2
125.02412	1.0
131.03477	4.6
135.04535	0.7
137.09729	1.1
143.03493	7.4
149.04585	3.9
153.01897	1.1
159.02965	1.7
161.02469	0.9
161.04553	16.6
163.04022	1.1
163.11264	0.9
173.04581	1.2
175.02493	1.0
179.05603	21.8
181.05128	1.0
189.12857	1.5
191.05597	3.7
207.13823	0.5
221.06630	0.5
225.14977	1.4
271.72525	0.5
297.08701	0.6
307.14029	1.6
369.19153	2.1
375.16653	0.6
387.12952	7.4
387.20233	10.8
388.13342	0.6
388.20718	0.6
444.96338	0.5
467.16147	0.8
549.25641	80.7
550.25995	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	549.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.1
59.01377	58.6
61.98803	2.9
67.01861	5.5
68.39194	1.2
69.03448	2.1
69.55769	2.9
69.56176	5.9
70.76829	1.4
71.01378	26.1
73.02962	6.9
77.35329	1.2
81.03377	1.6
81.30173	1.6
83.01355	2.9
83.05004	1.9
85.02940	8.5
87.00841	2.8
89.02443	29.2
93.03445	29.5
96.95977	5.6
98.20649	2.6
98.95515	1.3
99.92585	2.0
101.02444	14.5
107.04972	1.4
109.02916	3.2
111.04468	4.9
113.02443	9.0
115.92052	2.4
116.92862	22.2
117.01971	1.4
117.05502	1.6
119.03490	6.7
121.06590	2.4
131.03505	3.8
135.06601	1.6
137.02374	4.5
137.03362	1.2
149.04495	6.7
150.44344	1.3
155.03436	6.1
173.04533	87.0
189.12726	1.3
191.05640	6.4
191.43443	1.4
195.13808	3.3
207.13821	5.9
209.11740	3.7
247.07584	1.6
251.12733	1.8
253.08583	2.3
263.07031	3.6
281.05710	1.2
281.08176	12.1
283.06192	1.7
291.06491	2.0
293.08075	3.0
294.08707	1.6
296.10327	1.4
297.11761	1.8
301.07260	1.6
308.10553	3.0
309.04282	2.3
309.07669	38.5
310.07843	2.9
323.09085	4.8
324.09937	22.5
339.12326	60.7
340.12457	4.3
375.20178	26.3
376.20456	1.8
431.79993	1.5
445.24646	2.3
463.25098	1.8
487.25134	2.8
505.26471	15.1
507.25610	3.3
510.85425	1.4
548.74005	1.6
549.25299	100.0
550.25623	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	549.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30099	1.2
52.38523	1.3
55.01852	1.4
56.21297	1.3
58.00608	1.8
59.01373	100.0
61.98816	1.8
67.95952	1.3
69.03452	2.0
71.01376	43.2
72.99277	2.2
73.02946	26.9
81.03436	2.0
82.90128	1.2
83.01400	3.2
85.02949	11.9
87.00866	3.1
89.02435	41.8
93.03428	2.1
95.01369	3.1
96.95998	9.1
97.02999	2.0
98.95576	3.3
99.00871	91.9
101.02428	24.2
113.02440	18.5
119.03472	6.8
125.02423	4.6
131.03474	12.1
133.02956	1.7
143.03436	3.7
149.04535	37.1
155.03476	2.8
161.02426	3.4
161.04584	9.2
173.04561	4.6
191.05585	43.1
195.14490	1.3
203.05602	16.6
233.06616	7.7
235.02258	1.9
260.30966	1.2
271.02515	3.0
277.77780	1.4
300.02719	4.2
319.07309	1.5
331.17599	1.8
373.18643	4.8
463.21796	12.1
490.30511	1.6
505.10187	3.7
505.22812	49.3
506.22696	4.6
545.39209	1.5
549.21765	1.7
549.29559	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	547.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	1.0
59.01376	16.1
61.98808	2.2
71.00047	1.5
71.01369	2.3
73.57984	0.5
73.87707	0.5
75.35359	0.5
78.95883	0.8
85.02961	0.7
89.02431	2.2
101.02432	2.2
113.02422	1.5
119.03535	0.6
155.63338	0.6
161.04523	1.4
179.05655	0.5
183.82614	0.5
212.48790	0.6
225.21162	0.6
235.08150	1.9
251.20131	100.0
252.20496	4.6
253.09254	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	549.2009
Annotation	Cocsilinine
Peak:m/z	Relative Intensity
54.24530	0.4
57.01297	0.4
57.03428	0.8
59.01374	40.5
60.01720	1.0
61.98826	6.6
63.96212	1.3
67.01890	2.7
69.03445	1.9
69.42947	4.0
71.01379	12.7
72.99306	1.0
73.02937	6.4
73.83014	0.4
74.02467	0.9
78.95886	1.7
78.98588	4.1
79.95728	10.4
80.96509	63.0
81.03450	1.5
83.01385	2.2
83.05046	0.8
85.02946	6.1
87.00871	2.7
89.02431	1.0
93.03447	15.0
94.98077	15.0
95.01379	1.3
96.95995	2.1
97.02930	1.9
99.00882	1.5
101.02438	6.0
106.98079	2.6
109.02917	0.5
111.00867	1.5
111.04514	3.5
113.02441	3.1
117.05571	3.0
119.03458	0.4
122.97579	5.0
125.02445	3.5
127.03960	0.8
133.02939	1.1
134.97554	4.3
135.04494	0.6
136.99057	0.6
137.02403	3.1
143.03488	0.6
148.99113	6.0
152.98608	7.0
152.99612	1.2
155.02400	0.6
155.03455	2.7
159.04407	0.8
161.02425	1.7
164.98607	9.4
173.04532	52.9
174.04852	0.6
177.01941	0.8
182.99692	3.0
183.13878	1.7
187.03893	0.7
187.07631	1.4
191.05602	4.1
195.13924	2.6
201.05537	1.2
201.09270	0.9
202.06223	1.3
203.07033	0.7
206.99646	2.7
213.14943	14.2
215.07169	0.5
225.00708	17.7
226.20894	0.5
229.08664	2.9
230.09412	2.3
231.10071	0.7
243.01712	1.6
245.04353	0.6
249.14894	0.6
299.04538	2.7
299.25821	0.7
300.29202	0.5
345.30063	2.1
375.21719	2.0
387.20215	32.0
388.20633	1.6
452.16830	1.3
463.20630	0.6
489.34344	14.2
490.34882	0.7
505.28442	0.8
507.35266	5.7
531.19312	0.5
536.15521	0.6
549.20020	100.0
550.20428	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	547.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01377	9.8
60.01699	0.5
60.99289	0.6
61.98835	2.9
67.01548	0.4
67.01884	5.5
69.03439	1.1
69.27242	0.3
69.27567	2.8
71.01373	6.1
72.99269	0.2
73.02923	1.0
79.95714	0.9
81.03444	1.2
83.01363	0.5
83.05013	1.3
85.02963	2.0
87.00876	1.0
89.02422	1.1
93.03451	28.6
94.03772	0.6
95.01397	0.4
96.96003	20.2
97.06591	0.5
98.95605	0.3
99.00861	0.9
99.04479	0.5
101.02428	2.1
109.02937	1.2
110.95332	0.3
111.00899	1.8
111.04520	5.4
113.02432	1.8
119.03493	0.4
123.08131	0.9
125.02406	0.3
127.03979	0.5
129.01968	0.3
135.04448	0.4
137.02422	5.9
139.11298	0.6
147.04471	0.3
151.00360	0.7
155.03490	5.9
161.04547	0.4
168.31802	0.4
170.61865	0.3
171.10228	0.4
173.04529	100.0
174.04861	2.4
185.11801	3.5
191.05618	4.9
192.05959	0.9
193.06104	0.6
214.12103	0.6
215.07137	0.3
215.12872	0.3
231.10249	0.3
241.01161	0.3
242.02077	0.6
270.01712	0.5
327.21774	0.5
355.14560	0.4
371.24518	0.4
373.25900	36.7
374.26318	2.5
449.14575	1.0
474.09134	0.5
503.24307	0.4
505.26221	1.9
547.14117	1.7
547.31427	34.6
548.31891	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80812	0.2
57.03448	1.4
59.01379	6.9
60.01721	0.3
60.99285	0.6
61.98833	2.4
65.00317	0.2
65.03963	0.3
67.01546	0.4
67.01887	4.6
69.03445	1.0
69.03806	0.2
69.33774	2.2
71.01381	5.3
72.99297	0.3
73.02942	1.7
74.23951	0.2
78.95918	0.3
79.95723	0.4
81.03441	0.9
83.01385	0.7
83.05017	1.1
85.02952	1.4
87.00890	1.3
88.98786	0.2
89.02433	1.6
93.03450	28.9
94.03767	0.6
96.96003	13.5
97.06561	0.5
99.00888	2.8
100.01202	0.6
101.01305	0.5
101.02421	1.3
107.01382	0.3
109.02918	0.8
111.00883	1.4
111.04513	5.1
111.08155	0.3
113.02457	1.2
113.09676	0.3
115.04041	0.3
123.08128	0.8
125.02500	0.3
125.09760	0.3
127.03975	0.5
127.11269	0.3
131.03441	0.4
137.02434	5.4
139.11296	0.7
149.04520	0.8
151.00391	0.8
155.03503	4.9
161.02373	0.5
161.04581	0.3
163.04004	0.3
171.10228	1.0
173.04533	100.0
174.04857	2.8
175.05099	0.3
180.85046	0.2
185.11835	3.2
187.07704	0.4
191.05602	6.0
191.07301	0.3
192.06009	1.3
193.06068	0.9
214.02693	0.3
214.12184	0.3
235.07037	0.3
241.01443	0.5
242.02242	0.7
245.00946	0.5
270.01712	1.1
286.60184	0.2
298.01074	0.6
327.21582	0.4
355.24817	0.5
371.24207	0.2
373.25903	37.4
374.26318	2.0
414.09354	0.5
449.14584	0.5
499.18491	0.3
503.25165	0.3
505.25711	0.6
547.14349	2.7
547.31409	32.5
548.14587	0.4
548.31610	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	547.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17564	1.5
55.01837	1.6
57.03447	1.8
59.01377	56.2
60.99309	1.8
61.98828	30.4
67.01892	4.9
69.03452	3.5
69.05548	1.6
71.01382	19.5
71.63457	1.9
73.02946	6.0
78.95898	3.4
81.03443	2.1
83.01400	1.7
83.05021	2.5
85.02932	17.4
87.00876	13.4
87.03446	1.4
89.02441	5.3
93.03453	46.8
94.03788	9.7
96.95974	7.9
96.96943	2.1
97.02951	2.7
99.00845	2.1
101.02437	12.8
109.02954	2.5
111.04517	7.0
112.04883	1.9
113.02441	7.7
117.21689	1.7
119.03470	1.5
119.06441	1.5
121.52106	1.4
125.02454	2.3
125.09756	1.8
134.31886	2.0
135.04547	2.6
137.02388	4.2
139.11250	1.9
143.03532	2.2
152.99576	1.9
155.03499	3.1
156.83267	1.5
161.04562	1.8
173.04529	57.3
174.04887	21.5
175.05038	9.8
183.13901	2.4
185.06149	2.3
186.29182	1.6
187.07352	2.3
191.05598	65.0
192.05931	25.4
193.06081	20.9
200.04765	2.1
214.06346	2.1
215.07014	6.9
216.07468	5.0
217.07559	3.3
229.08623	1.7
230.08871	1.7
233.06773	2.5
235.07185	1.7
253.09236	3.0
254.09514	2.1
255.19620	52.7
255.88771	1.7
256.07333	3.5
256.19971	3.6
257.07520	2.0
281.21198	2.7
291.19916	2.1
292.19870	3.2
293.20502	2.8
309.20743	5.7
310.21039	3.7
311.21591	6.6
370.70038	1.5
373.15860	2.6
443.26559	8.7
461.27420	20.4
487.32523	7.2
503.28613	100.0
504.28882	6.0
505.33362	3.5
547.21338	15.2
547.29364	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	547.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26903	0.5
57.03428	1.0
59.01368	10.3
59.75811	0.5
61.98816	2.2
67.01897	0.6
69.03464	1.5
69.50781	4.1
71.01380	5.7
73.02946	1.5
78.95892	3.4
83.05015	1.0
83.06047	0.7
85.02947	2.2
87.00880	1.6
89.02430	6.0
93.03440	8.6
94.03774	0.6
96.96004	1.3
96.96947	0.7
97.06599	1.1
98.19878	0.8
99.08163	1.5
101.02448	4.8
111.04482	1.7
113.02458	3.0
113.09718	1.7
119.03443	1.2
129.09186	3.9
134.03720	1.1
135.08061	0.6
137.02422	0.9
139.11264	0.8
152.99530	1.7
153.12851	0.9
155.03647	0.6
161.04491	2.9
169.12306	1.4
171.10275	3.3
173.04530	13.9
174.04848	1.8
175.04926	1.3
179.05588	1.2
181.12328	2.9
183.13889	1.0
191.05583	5.2
192.05975	1.7
193.06059	0.9
193.12305	2.0
197.11821	4.9
199.13327	3.8
204.23544	0.6
209.11859	2.2
211.13362	13.6
215.07034	0.9
216.07237	0.8
230.09160	0.8
253.09254	31.2
265.21658	0.9
275.08914	0.7
275.20105	0.8
293.21213	11.3
311.22241	100.0
312.22574	4.8
323.13791	0.8
431.14566	0.7
449.14456	2.0
465.22180	0.7
487.32324	0.8
487.65448	0.7
506.20761	0.6
547.20947	1.4
547.31818	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	547.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
56.59242	0.5
57.03450	3.4
58.00574	0.7
59.01376	34.5
69.50259	3.3
71.01379	14.4
72.99304	0.8
73.02945	3.6
79.29289	0.4
81.03471	0.7
83.01360	1.7
83.05017	2.1
83.39739	0.4
85.02930	4.3
87.00868	5.5
89.01911	1.0
89.02438	18.0
93.03451	0.7
95.01358	0.7
95.04995	0.6
96.96011	3.0
97.06578	2.7
98.95569	0.7
99.00862	1.5
101.02436	10.3
101.06204	0.5
103.04000	1.0
107.05013	6.7
113.02439	6.9
116.44202	0.5
117.05573	0.9
119.03483	6.9
120.05779	2.6
135.04556	2.8
135.06642	7.3
135.11816	0.8
141.05571	0.7
143.03441	0.9
145.10191	0.7
149.04504	0.8
152.04739	1.1
157.06548	0.6
159.02985	0.8
159.11777	0.9
161.04561	2.6
161.09695	12.2
161.13356	5.2
163.11267	3.1
173.04478	0.8
179.05579	2.0
179.10739	1.2
187.11261	13.9
189.09187	9.3
190.09521	0.6
191.05557	1.2
198.09966	0.5
203.10710	1.7
205.12326	7.2
207.10222	5.2
223.13329	0.8
231.10266	1.0
243.46051	0.5
249.11331	7.5
264.79495	0.6
267.12204	0.8
297.11880	8.3
303.28470	0.6
308.97290	0.5
325.12769	0.6
403.15857	0.9
487.25363	0.6
505.26208	1.2
529.22784	1.4
547.23840	100.0
548.24176	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	547.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03445	2.1
59.01377	13.9
60.01734	0.5
60.99290	0.6
61.24170	0.3
61.98826	1.4
67.01883	5.8
69.03458	1.0
69.38908	2.9
69.99656	0.3
71.01380	11.1
72.01719	0.4
72.99319	0.6
73.02950	2.9
78.25320	0.3
79.95743	1.1
80.60920	0.3
80.96512	0.9
81.03464	1.1
82.95412	0.6
83.01385	1.3
83.05035	1.3
85.02944	4.7
87.00893	1.7
89.02444	4.2
90.02800	0.5
93.03452	29.9
94.03799	0.7
94.98100	0.5
95.01357	0.8
96.96005	35.3
97.02936	0.6
98.95596	0.7
99.00886	1.9
99.04495	0.4
101.02434	6.4
109.02948	1.2
111.00864	1.1
111.04516	5.7
113.02444	4.6
114.02776	0.4
115.03983	0.5
119.03506	0.7
125.02476	0.7
127.04001	0.5
131.03499	0.7
137.02428	5.6
143.03493	0.5
148.05388	0.4
149.04544	1.3
151.04976	0.4
155.03479	5.6
161.04555	1.4
164.98643	0.4
173.04530	100.0
174.04878	2.1
178.04900	0.4
179.05612	0.4
189.09402	0.4
191.05577	2.6
192.05681	0.4
211.13358	0.4
213.09128	0.3
225.00803	0.6
328.11609	0.4
342.13474	0.7
343.13684	1.0
373.18631	28.7
374.18796	1.9
487.25098	0.6
503.25452	0.4
505.25842	3.2
529.20203	0.8
547.23865	39.4
548.23712	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26990	0.6
56.21399	0.6
57.03439	3.0
59.01376	23.2
60.19581	0.6
60.99286	0.6
65.38398	0.5
69.77115	1.0
69.77526	3.1
71.01382	11.8
72.75718	0.6
72.99295	0.7
73.02933	2.3
80.42843	0.7
81.03452	0.6
83.01371	1.2
83.05017	1.6
85.02953	4.4
87.00880	4.6
88.98784	2.6
89.02437	14.1
93.03438	1.5
95.01363	1.2
96.96004	4.7
97.06571	1.4
98.95578	2.3
99.00857	0.8
101.02447	8.8
107.05023	7.0
113.02462	5.9
119.03496	5.8
120.05824	2.8
135.04498	1.6
135.06628	8.5
135.11751	1.1
137.02435	0.8
141.05559	1.0
143.03513	0.7
145.10252	0.6
147.08008	0.7
152.04721	0.9
155.03488	0.6
157.06631	0.6
159.11864	0.6
161.04515	2.4
161.09715	14.1
161.13358	4.4
162.10138	0.7
163.11256	3.1
173.04518	0.6
179.05641	1.4
179.10809	0.9
187.11275	13.1
189.09201	8.7
203.10730	1.7
205.12325	6.9
207.10272	5.0
211.13406	1.1
223.13358	0.6
249.11320	8.2
267.12338	1.2
297.11853	9.2
302.09775	0.6
316.38901	0.6
335.09778	2.2
403.15729	0.9
529.22363	1.1
547.23901	100.0
548.24139	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	546.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.9
61.98826	100.0
67.01885	1.2
71.01382	3.8
73.02924	1.4
83.01408	0.7
85.02950	2.3
87.00871	2.0
89.02449	2.4
93.03456	5.5
94.03814	1.4
96.95975	0.5
98.19742	0.6
101.02415	2.6
103.47912	0.3
111.04554	0.9
113.02452	1.5
119.03531	0.9
127.04050	0.5
129.01912	0.5
137.02402	0.7
141.55128	0.3
143.03458	0.4
155.03477	0.4
161.04510	0.6
171.10318	0.5
173.04544	8.3
173.06018	0.7
174.04875	2.3
188.07964	0.4
191.05595	11.2
192.05907	3.8
200.04814	0.6
201.05540	0.4
211.13406	2.2
212.13728	0.9
214.06345	0.5
215.07069	2.1
216.07462	1.5
229.08621	0.5
230.09012	0.5
233.06569	0.4
253.09233	0.8
255.06979	0.3
256.07535	0.9
257.07916	0.7
291.19705	1.8
292.19907	1.5
296.45084	0.3
354.14481	0.6
397.22241	2.9
439.23312	3.7
445.38434	0.3
487.32861	0.8
546.21240	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01458	0.5
55.01864	0.6
57.03435	1.6
59.01377	12.9
60.21797	0.5
61.98827	1.2
62.55074	0.5
68.99783	0.5
69.03443	0.7
69.37640	0.7
69.38049	4.2
70.66424	0.5
71.01370	7.4
72.99289	0.6
73.02932	1.3
74.57631	0.5
78.72426	0.6
78.95889	0.8
83.01389	1.0
83.05003	1.2
83.77623	0.5
85.02946	1.9
87.00880	2.1
89.02444	6.8
93.03469	4.1
95.01363	0.9
95.05021	1.4
96.96010	5.0
101.02435	8.3
111.04520	0.8
111.08160	11.7
113.02452	4.4
119.03445	1.5
119.14587	0.6
135.11787	0.9
137.02341	0.7
137.09714	0.9
143.03409	0.8
149.09615	0.9
152.99619	1.2
158.50233	0.6
161.04550	2.4
167.10725	1.4
171.10266	1.1
173.04483	5.1
177.12802	2.4
179.05563	1.7
179.10706	1.5
191.05592	5.2
193.07281	0.6
195.13864	7.7
197.11742	1.3
204.55177	0.6
217.00305	0.7
247.20663	2.8
253.09273	15.2
254.09447	0.7
273.18567	1.7
275.20020	3.2
291.19626	100.0
292.19885	3.7
297.09634	0.8
309.20523	3.4
310.21173	0.6
327.15863	0.7
355.61145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84723	0.8
59.01373	24.8
61.98837	1.7
70.45025	0.9
71.01369	4.4
71.62869	1.8
73.02953	1.4
78.95879	1.0
79.81920	1.0
82.60587	0.9
85.02936	1.6
89.02449	3.2
93.03467	2.2
96.95998	4.6
99.00874	0.9
99.06699	0.9
101.02435	3.4
113.02441	2.2
119.03484	1.3
133.03001	1.3
173.04553	3.4
181.53883	1.0
191.05598	3.5
196.12807	1.0
205.19453	1.1
211.13275	1.1
215.06993	1.0
235.08174	2.4
249.18567	100.0
250.18964	4.0
253.09274	17.3
270.27789	0.9
309.20587	1.0
545.29553	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	545.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15643	0.3
50.50423	0.3
53.01629	0.3
55.01877	1.9
57.03442	1.9
58.00598	1.2
59.01377	100.0
60.01704	0.9
61.98829	1.2
67.01894	1.5
69.03448	1.6
69.26373	3.5
69.40822	0.3
71.01379	42.5
71.05005	1.6
72.01724	0.4
72.99284	1.9
73.02944	24.3
74.03300	0.4
75.00872	0.8
77.97849	0.3
81.03452	1.5
83.01385	4.5
83.05031	0.7
85.02951	15.4
87.00873	3.8
89.02441	27.9
90.02785	0.5
93.03452	8.4
95.01380	3.1
96.96014	3.8
97.02962	1.8
99.00876	54.3
99.04523	0.5
100.01225	0.8
101.02441	20.9
103.69886	0.3
109.02950	0.7
111.00876	1.1
111.04535	1.4
112.01665	0.4
113.02443	20.6
114.02837	0.3
119.03513	3.8
121.52274	0.4
124.01659	0.3
125.02451	4.4
127.04032	1.0
129.02011	0.7
131.03494	7.8
137.02419	0.8
137.09724	6.0
137.12546	0.3
139.11285	5.9
140.42935	0.3
143.03485	3.3
149.04553	21.4
155.03511	3.2
159.03044	1.5
161.04565	10.0
173.04538	13.0
175.11343	0.5
178.99866	0.7
179.05634	0.6
187.07600	0.5
191.05611	42.6
191.14461	2.4
192.05960	1.1
199.52278	0.4
203.05595	7.7
209.15453	10.7
211.04022	0.6
211.07678	0.5
214.06259	0.7
215.07249	0.6
221.06667	0.6
225.09203	0.6
227.03384	0.4
233.06651	4.8
248.09692	0.4
253.08641	0.6
255.13905	1.8
268.11111	0.5
281.15359	0.4
283.13379	1.2
299.13058	0.4
305.17566	0.7
309.14822	0.9
309.20502	0.3
311.12949	0.7
327.12354	0.9
327.16125	1.8
335.09686	1.0
336.97522	0.3
347.18640	0.5
353.10083	0.5
353.13959	4.4
353.19626	2.5
354.14554	0.6
371.14996	4.6
371.20737	4.7
372.15274	0.4
413.21744	7.2
424.11725	0.3
455.66870	0.4
485.23959	4.5
485.30847	0.9
503.24933	26.0
504.25366	1.9
509.23511	0.4
517.91296	0.4
545.26068	75.3
546.26495	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	545.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03445	4.7
58.00592	1.1
59.01376	100.0
60.01725	0.4
62.76002	0.3
68.99828	0.3
69.03452	1.0
71.01378	38.0
71.07836	0.6
72.99313	1.7
73.02942	17.3
75.00874	0.7
83.01380	6.2
83.57232	0.3
85.02945	18.6
86.03244	0.3
87.00869	2.8
88.98818	0.4
89.02438	15.3
93.03474	1.0
95.01373	3.1
96.96036	0.7
97.02949	2.1
99.00345	0.2
99.00876	15.0
101.02435	29.0
102.02780	0.6
109.02932	0.3
111.00880	1.3
111.04550	0.4
112.01666	1.3
113.02443	17.9
117.25935	0.3
119.03488	2.8
123.08139	0.7
125.02426	2.9
126.94419	0.3
129.01900	0.7
131.03491	2.1
131.19135	0.3
135.63887	0.3
137.02405	0.3
137.09718	1.2
139.11172	0.4
143.03496	2.4
149.04585	1.6
149.09705	0.6
155.03447	0.6
159.02959	2.9
161.03204	0.6
161.04549	11.7
162.04822	0.3
165.12839	0.7
173.04591	2.1
191.05585	5.8
191.14491	0.4
203.05615	0.8
209.15446	11.2
210.15791	0.4
221.15401	0.4
233.06683	0.5
263.16650	0.4
275.07285	0.3
275.77371	0.3
279.15811	0.3
283.13263	0.4
285.21429	0.3
286.83197	0.3
305.17532	2.1
327.15982	0.4
353.14001	0.8
353.19635	6.3
354.19943	0.6
371.20676	17.1
372.21146	1.3
413.21780	7.8
414.22086	0.6
485.23868	3.1
503.24939	47.5
504.25369	4.2
545.25970	89.1
546.26294	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	545.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89416	0.2
55.01869	2.6
57.03441	4.9
58.00584	1.2
58.76064	0.2
59.01373	100.0
60.01706	0.7
65.45968	0.2
67.01915	0.2
69.03452	0.8
69.34385	1.0
69.34814	1.1
71.01375	38.1
72.01708	0.3
72.99297	1.3
73.02939	16.3
75.00880	0.4
81.03463	0.7
83.01374	5.9
85.02944	18.6
86.00098	0.4
87.00874	2.3
88.98794	0.7
89.02435	13.6
93.03449	0.9
95.01371	2.8
96.96025	0.7
97.02956	2.0
99.00868	12.8
99.04501	0.3
100.64395	0.2
101.02433	27.5
102.02785	0.3
103.03997	0.3
109.02949	0.3
111.00889	1.0
111.04489	0.4
112.01646	1.5
113.02438	17.0
114.02720	0.3
115.04008	0.2
119.03494	2.7
123.08154	0.6
125.02443	2.6
127.04060	0.3
128.83910	0.2
129.01956	0.7
130.36287	0.2
131.03458	1.7
137.02455	0.3
137.09703	1.3
139.11322	0.4
143.03484	2.2
145.58917	0.2
145.60318	0.2
149.04536	1.3
149.09735	0.8
155.03482	0.5
159.02971	2.8
161.04541	9.7
165.12837	0.8
173.04556	1.4
173.05807	0.2
185.04509	0.3
185.22961	0.2
185.61993	0.2
191.05579	4.5
191.14346	0.3
198.27948	0.2
200.97488	0.2
202.35539	0.2
203.05588	0.2
209.15440	10.5
210.15724	0.5
221.15503	0.4
225.02049	0.2
233.06705	0.3
233.15431	0.4
282.25436	0.2
305.17584	2.4
353.14017	0.4
353.19638	6.8
354.20007	0.5
371.20679	17.2
372.21030	1.2
395.20148	0.3
413.21759	8.6
414.22302	0.4
485.23712	3.9
486.24078	0.3
503.24911	46.2
504.25247	4.3
545.25952	90.7
546.26318	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	545.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23255	0.4
51.83278	0.4
55.01869	1.4
57.03439	1.8
58.00583	1.8
59.01374	100.0
59.85458	0.4
60.01714	1.1
60.99299	0.5
61.98818	0.6
65.76328	0.4
67.01873	1.1
69.03448	1.5
69.28502	4.0
71.01375	40.6
72.99297	2.5
73.02939	29.0
79.95670	0.4
81.03457	0.9
82.95411	2.2
83.01383	4.0
83.05016	0.6
85.02942	11.0
87.00861	3.9
88.98779	2.1
89.02437	42.3
90.02751	0.6
93.03448	7.5
95.01386	2.4
96.96003	20.4
97.02948	1.6
99.00871	72.8
100.01218	1.1
101.02433	20.3
107.61580	0.5
109.02943	1.8
111.00861	0.5
111.04527	2.2
112.01680	0.9
113.02438	20.7
114.35559	0.4
119.03500	7.2
125.02435	4.1
126.51371	0.4
127.03991	0.9
129.01920	0.5
131.03487	9.7
137.02412	1.3
143.03505	4.5
149.04539	34.1
150.04906	1.0
155.03488	3.6
161.04553	9.7
173.04533	18.9
174.04953	0.6
177.01979	1.0
179.05591	1.7
191.05589	52.0
192.05925	1.2
197.79315	0.4
203.05595	10.7
208.08661	0.5
221.06462	0.6
225.09131	0.7
233.06631	6.1
267.06839	0.7
283.09879	0.5
283.13373	1.7
293.08856	1.3
311.12799	1.1
327.08817	0.8
327.12500	0.5
327.16125	1.3
335.09906	1.3
341.09869	0.6
353.06488	0.6
353.10199	1.0
353.13953	2.7
353.18097	0.4
353.19086	0.4
365.05325	0.5
371.14960	1.5
371.20193	1.1
383.11478	0.6
413.21887	3.2
437.91974	0.5
485.24112	2.3
503.24908	29.6
504.25418	2.9
527.16809	0.6
545.26050	61.1
546.26373	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	545.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03445	4.5
58.00594	1.3
59.01375	100.0
69.03452	1.3
69.45242	2.5
69.45674	2.7
71.01379	43.2
72.99294	1.7
73.02945	27.8
79.95724	1.8
81.03471	0.9
83.01379	4.0
83.05022	1.3
85.02946	16.2
87.00895	1.6
89.02440	37.6
95.01366	3.2
96.96004	71.7
97.02960	1.5
98.19740	0.8
99.00877	79.5
100.01232	0.6
101.02437	21.8
111.01007	0.7
113.02441	22.9
118.98183	0.6
119.03513	3.5
124.09177	0.6
125.02434	3.8
131.03497	11.0
143.03497	4.2
149.04539	44.4
151.21013	0.7
155.03502	2.7
159.02983	1.2
161.04555	12.8
179.05661	1.6
191.05595	42.9
192.06015	0.7
203.05577	20.1
205.55580	0.6
209.15483	0.9
210.21242	0.6
224.29201	0.6
233.06676	10.5
263.75381	0.7
293.08759	1.2
301.03824	0.7
305.17456	0.7
335.09894	2.3
371.20605	2.6
413.21658	2.4
503.24966	19.6
504.25266	1.4
545.25977	53.6
546.26178	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	545.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03441	1.8
58.00574	1.7
59.01374	82.4
59.96942	0.3
60.01705	0.5
61.54633	0.3
61.98832	1.3
67.01888	1.2
69.03463	1.8
69.10933	0.4
71.01378	42.3
71.63451	0.4
72.01704	0.5
72.99296	2.4
73.02942	33.6
78.95889	0.5
79.95727	0.6
81.03452	1.0
83.01380	4.3
83.05018	0.4
85.02942	9.9
85.03434	0.7
87.00871	3.4
89.02436	46.5
93.03451	7.8
95.01366	2.2
96.96004	14.8
97.02939	2.0
99.00874	100.0
99.04525	0.7
100.01225	1.6
101.02437	19.9
102.02755	0.5
109.02937	0.8
111.00889	0.5
111.04530	1.5
113.02441	20.0
119.03495	5.9
125.02410	5.2
127.03996	1.0
131.03497	12.7
135.04541	0.6
137.02429	1.1
137.09795	0.4
139.04001	0.5
143.03491	5.2
149.04544	46.3
150.04967	0.7
155.03496	5.0
161.04547	10.6
172.53928	0.3
173.04533	17.6
174.04953	0.5
179.05605	1.9
186.06889	0.4
191.05592	60.6
191.14368	0.7
192.05956	1.5
197.06021	0.4
203.05594	16.1
204.05974	0.5
211.04018	0.6
214.06284	0.7
221.06619	1.2
225.09093	0.3
233.06641	10.9
234.06804	0.4
239.07144	0.7
253.08702	0.7
255.13954	0.9
268.10785	0.3
275.07751	0.4
281.15469	0.4
283.13364	1.3
285.06683	0.4
293.08838	0.6
299.12878	0.6
299.16281	0.7
309.14868	0.9
311.12845	0.8
324.10370	0.5
327.12378	1.0
327.16101	2.8
335.09848	2.9
353.14127	4.4
353.18375	0.6
362.33093	0.4
371.14954	6.1
371.19916	0.8
413.21896	1.4
482.11462	0.4
485.24176	1.0
485.31201	2.4
503.25073	11.4
503.32324	1.9
504.25085	0.4
527.25024	0.5
545.26129	43.1
546.26477	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	545.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91916	9.3
59.01377	51.8
61.98816	14.6
71.01354	18.6
71.32930	19.3
73.02918	8.5
74.86115	8.4
75.68051	9.3
78.35367	8.5
78.95893	20.5
85.02958	17.7
93.03452	58.1
96.95998	82.5
101.02463	13.8
111.04510	11.3
111.81249	8.2
114.03299	7.7
133.02919	16.8
137.02510	14.8
150.17749	8.6
152.99527	14.9
171.10321	23.1
173.04543	72.0
191.05597	92.1
199.63551	10.2
209.11879	14.9
211.13480	15.3
235.57813	9.2
253.09256	24.8
291.19702	100.0
309.20621	29.3
309.60306	8.5
351.41910	8.6
545.19012	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	545.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61921	0.3
55.01873	1.5
57.03440	1.5
58.00587	0.3
59.01376	73.1
60.01714	0.5
60.55579	0.2
60.99304	0.5
61.98828	1.6
64.07894	0.3
67.01883	1.6
68.99803	0.4
69.03448	1.4
70.72451	0.3
71.01379	28.3
71.05013	1.5
71.63354	0.2
71.63833	0.3
72.01710	0.4
72.99312	1.0
73.02943	10.8
74.03308	0.3
75.00900	0.3
81.03458	1.0
83.01385	3.2
83.05013	0.7
85.02947	22.2
85.06590	0.3
87.00872	5.1
89.02434	9.7
93.03452	9.4
93.04049	0.3
95.01388	2.3
96.95995	2.8
97.02949	1.4
99.00879	11.0
99.04482	0.6
101.02438	13.6
109.02960	1.1
111.00860	0.9
111.04522	2.5
112.01649	1.1
113.02441	13.4
115.04012	0.3
119.03497	2.0
122.67904	0.2
125.02456	2.2
127.03993	3.0
128.84116	0.3
129.01906	0.6
131.03490	1.6
135.04543	0.4
137.02434	0.8
137.09718	5.9
139.11279	6.3
143.03479	1.7
149.04584	1.6
151.00372	0.8
155.03464	1.4
159.02998	2.1
161.04556	6.6
165.12773	0.4
171.03011	0.5
173.04536	13.3
174.04877	0.5
175.11195	0.3
177.01974	0.5
179.05602	0.4
183.04533	0.8
186.06885	0.3
187.07747	0.4
191.05605	100.0
191.14401	1.8
192.05969	2.2
197.06068	0.7
198.03304	0.4
199.04028	0.3
203.05557	0.7
209.15453	9.6
210.15865	0.4
211.04030	1.2
211.07588	0.6
214.06308	0.6
215.07104	0.4
222.19527	0.3
224.04692	0.5
225.05521	1.0
225.09146	0.4
226.02686	0.8
226.06363	0.4
226.09898	0.4
227.03468	1.2
227.07185	0.4
229.08655	0.6
233.06627	0.6
237.05562	0.6
238.06410	0.4
239.03552	0.5
239.07120	0.7
241.04851	0.3
251.10753	0.6
252.07925	0.5
253.05167	0.9
253.08641	1.5
254.09671	0.4
255.02902	0.4
255.13875	1.9
267.10300	0.8
268.11014	0.7
280.10678	0.3
281.04529	0.8
281.08200	1.1
281.15530	1.3
283.13266	1.7
284.03253	0.5
285.03915	0.4
295.05939	0.3
295.09744	1.1
296.10431	0.7
297.14896	0.4
300.02664	0.3
301.03122	0.4
305.17526	0.4
309.14871	2.2
311.12943	0.6
324.10080	1.3
325.14258	1.8
327.12573	0.5
327.16068	1.7
335.13016	0.7
343.15146	0.4
353.13913	22.8
353.19434	1.4
354.14111	1.3
371.14999	3.6
371.20715	4.0
372.21042	0.4
413.21799	5.5
467.30020	0.4
485.23856	5.8
485.31180	3.7
486.23935	0.7
503.24976	27.1
503.31921	1.8
504.25461	2.1
545.26080	58.9
546.26392	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	545.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.7
58.00604	0.6
59.01375	10.4
60.99296	2.6
61.98861	0.5
65.03966	0.7
67.01885	8.5
68.56219	0.4
69.03451	2.0
70.58276	0.9
70.58631	0.8
71.01382	7.0
71.01743	0.5
73.02973	1.4
78.58769	0.4
81.03451	2.4
83.01430	0.5
83.05022	2.0
85.02949	10.2
87.00874	15.2
89.02450	2.3
93.03453	51.4
94.03835	0.9
95.01414	0.5
96.96009	2.1
99.00932	0.8
99.04520	1.0
101.02452	2.2
109.02934	2.4
111.00909	0.8
111.04516	7.8
111.08178	3.4
113.02486	1.9
115.03930	0.4
119.03497	0.8
127.04017	2.3
129.01898	0.9
136.01663	0.6
137.02438	4.4
143.03470	0.7
146.03708	0.5
153.01862	0.5
154.02734	1.1
154.04088	0.5
155.03481	5.3
158.03720	1.3
158.07385	0.9
159.04552	1.9
161.02411	0.6
161.04622	1.2
169.12367	1.6
171.01665	0.5
171.03021	1.8
171.04491	0.9
172.05281	1.5
173.04546	96.3
174.04913	2.0
174.06808	0.9
175.07555	0.5
177.02022	0.5
179.05577	0.5
182.03659	1.1
183.04543	1.2
185.06151	0.7
186.06850	4.6
187.03902	0.5
187.07632	4.5
189.09169	1.2
191.05602	100.0
192.05995	1.6
197.11813	14.5
199.04010	0.9
199.13440	0.8
200.04805	2.5
201.05615	2.8
201.09171	2.3
202.06371	0.5
203.07251	0.5
211.07629	1.6
211.13350	3.3
212.08357	1.2
213.09018	0.5
214.06342	4.4
215.07132	18.1
216.07530	0.6
227.03474	1.7
228.08023	0.6
229.08701	5.7
230.09471	2.3
231.10254	1.3
233.06627	5.0
242.02141	0.6
243.02777	0.6
245.04489	0.8
253.09277	11.6
255.06497	1.5
256.07419	8.4
263.20050	2.0
271.02280	1.0
272.02283	0.5
273.03024	0.6
273.07440	0.7
274.08438	4.1
291.16565	0.7
291.19623	8.0
299.01807	1.8
300.02463	2.1
301.02594	2.4
302.02988	0.8
309.20667	26.9
310.20956	1.0
311.12820	1.5
327.16025	0.6
353.13684	2.0
371.14905	4.8
389.71057	0.4
405.11420	0.7
447.08600	1.2
448.08844	2.3
545.20923	13.7
546.20056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.3
71.01391	13.9
71.62467	3.4
73.02958	5.1
74.65074	2.6
78.98567	4.0
79.95747	6.7
80.96512	33.1
83.01437	3.0
85.02954	5.0
89.02427	9.9
93.03518	3.0
94.98072	7.6
96.96002	71.9
96.96957	4.9
98.95576	3.2
101.02436	6.5
117.05582	3.8
121.15472	2.6
122.97636	3.7
125.02446	3.1
133.26065	2.6
134.97568	3.1
135.04474	3.4
135.09096	2.6
136.41386	2.6
145.07709	9.0
148.99153	3.7
159.09277	7.1
159.16978	3.3
160.06351	5.6
161.02432	3.8
161.07196	69.5
164.98572	7.5
171.09277	10.8
173.10834	3.8
175.08751	42.1
187.08730	10.3
189.06689	17.4
191.03899	3.5
191.05591	16.1
201.10225	7.7
203.08221	46.1
206.99675	4.0
217.09587	3.6
219.12425	3.5
225.00734	18.7
229.09752	11.3
245.12888	2.6
251.13741	3.0
261.12357	3.2
277.11868	6.0
293.14911	6.4
295.12991	100.0
296.13211	3.9
323.12418	32.8
323.16132	11.6
337.14160	9.5
365.13510	6.2
367.15167	17.5
395.14682	7.0
457.18475	17.1
485.17633	9.3
501.16602	7.1
545.19043	64.1
546.18964	3.6
548.97418	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28409	0.3
59.01358	1.2
63.96223	0.7
64.22354	0.3
67.42255	0.4
69.03461	0.6
71.01375	4.2
71.07174	0.5
71.07506	0.5
73.02933	1.5
77.81532	0.3
78.98588	4.6
79.95728	7.8
80.96511	46.6
81.03450	0.9
83.01363	0.4
85.02955	2.6
86.21136	0.4
87.00864	1.8
94.98082	11.1
96.96011	4.7
97.02946	1.0
99.00861	0.6
101.02444	2.4
106.98069	3.0
107.97146	0.4
113.02420	0.4
117.57404	0.4
117.58230	0.5
122.97571	3.7
125.02463	2.2
127.04005	1.0
134.97580	3.0
136.99136	0.8
148.99133	4.4
152.98622	5.2
164.98613	9.5
173.04477	0.4
182.99683	1.3
191.05502	0.5
201.11325	2.5
206.99655	2.3
209.11792	1.2
225.00711	20.0
226.00992	0.4
239.29845	0.4
243.01697	1.8
298.52383	0.4
299.04382	2.4
317.05414	0.4
457.31418	0.4
501.16403	13.1
502.16501	0.6
527.17975	2.5
545.19031	100.0
546.19421	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	545.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01369	2.4
60.45206	0.1
69.42847	1.2
71.01389	1.2
73.02941	0.7
79.95731	2.7
83.01392	0.1
85.02930	0.4
87.18414	0.1
89.02433	0.7
92.81326	0.1
93.03484	0.1
96.96000	100.0
97.95940	0.3
98.20684	0.2
99.00877	1.6
101.02443	0.4
105.79636	0.1
113.02435	0.5
117.84878	0.1
119.03508	0.2
135.23370	0.1
149.04533	0.9
161.04556	0.2
173.04584	0.2
191.05577	1.4
203.05525	0.3
233.06737	0.2
255.03036	0.2
271.02426	0.5
300.02686	1.0
301.03506	0.3
327.08704	0.2
357.16190	0.1
447.09216	1.6
503.25146	0.5
545.26038	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	545.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76992	0.2
57.03428	0.3
59.01380	3.5
60.46254	0.2
61.98819	0.7
63.96236	0.2
69.43977	1.5
71.01368	1.5
72.71266	0.2
73.02940	1.1
78.95899	0.3
78.98585	0.2
79.95736	5.0
80.96521	4.0
80.98162	0.2
81.95296	0.6
82.96106	2.0
82.96916	0.3
83.01395	0.4
85.02954	0.9
87.00863	0.5
89.02451	0.3
93.03461	0.6
94.98067	0.7
96.96008	100.0
99.00908	0.2
101.02425	1.3
109.02963	0.3
113.02435	1.2
124.97069	0.2
125.02409	0.3
131.03477	0.2
133.05080	0.7
134.11452	0.2
134.97563	0.3
136.99121	0.2
146.03734	0.2
147.04523	0.3
148.99123	0.3
152.98589	0.4
154.98175	0.3
164.98650	0.3
166.98149	0.3
173.04553	0.6
175.06117	0.5
191.05611	2.7
206.08817	0.2
217.07066	0.4
225.00726	0.9
226.01111	0.4
227.00424	0.7
227.03500	0.7
229.01505	0.3
233.77690	0.2
255.02873	1.0
262.30066	0.2
266.05807	0.4
281.08194	0.3
284.03256	1.3
285.03796	0.3
294.05240	0.3
337.03619	0.2
353.06509	1.8
422.86957	0.2
447.09262	2.4
503.24969	0.4
526.17090	0.4
527.16766	2.2
544.17847	0.9
545.17889	2.4
545.26276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03442	1.2
58.00581	0.4
59.01375	100.0
60.01711	0.6
61.98830	1.5
63.02396	0.5
65.00314	0.9
67.01883	0.3
69.03429	0.2
69.32240	1.1
69.32656	0.4
71.01378	17.1
72.02174	0.3
72.99313	0.5
73.02941	3.5
73.03333	0.2
74.81057	0.2
75.00843	0.2
77.12109	0.2
80.96530	0.2
83.01379	2.1
83.05000	0.4
84.99072	0.1
85.02948	7.4
87.00864	1.5
87.04508	2.8
89.02437	8.4
92.68195	0.2
93.03464	0.6
95.01370	1.9
96.95999	0.2
97.02945	0.2
97.06594	0.8
98.19840	0.3
99.00863	1.5
101.02438	7.7
103.03983	0.4
106.18023	0.2
107.01378	1.6
109.02928	0.2
111.00904	0.2
112.01642	0.2
113.02441	17.0
113.06032	0.2
114.02819	0.3
119.03500	3.0
120.05769	0.2
121.02952	0.4
124.01662	0.8
125.02425	1.6
131.03511	1.0
134.03717	0.4
137.02448	0.5
143.03494	1.6
149.04524	0.5
149.09714	0.7
151.00359	8.2
152.01149	2.3
153.01877	0.4
156.69093	0.2
159.02994	0.8
159.04318	0.2
161.04543	8.1
161.09726	0.2
163.00479	0.1
163.11327	0.2
167.10756	0.2
169.01384	0.8
172.05270	0.2
173.04576	1.5
173.05978	0.3
178.99841	10.5
179.05583	2.0
187.03986	0.2
187.07585	0.2
187.11310	0.3
189.05577	0.3
189.09152	0.5
191.05525	0.8
193.04987	0.4
199.07652	0.3
200.04814	0.2
201.05499	0.5
215.07121	1.5
216.07829	0.4
217.08598	0.6
227.07086	0.3
241.04994	0.3
243.06502	0.3
253.04951	0.4
271.06042	0.5
293.08783	0.3
299.01971	0.2
300.02823	0.5
311.01913	0.5
321.03992	0.4
323.05408	0.2
325.07092	0.4
333.07510	0.6
335.09506	0.3
339.25278	0.7
350.04248	0.2
351.08722	0.3
353.06607	13.7
354.07022	1.0
361.07040	1.8
367.09708	0.2
378.07410	0.5
379.08182	2.3
391.13916	0.2
396.08423	0.9
397.09286	2.4
398.09280	0.3
483.29581	17.8
484.29889	1.3
501.30655	6.8
501.38089	0.3
502.31250	0.5
543.14752	15.9
543.28839	0.4
543.32245	0.5
544.15387	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	543.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51485	0.2
51.97925	0.1
52.93280	0.2
53.20999	0.2
55.01878	0.6
56.88537	0.1
57.03454	1.2
58.00617	0.3
59.01374	100.0
60.01701	0.5
61.98822	1.2
63.02380	1.1
65.00311	1.0
69.03446	0.3
69.56660	1.2
71.01377	16.1
72.99300	0.4
73.02938	4.4
75.00880	0.2
78.95899	0.2
79.95714	0.3
81.03465	0.2
83.01381	2.2
83.05026	0.3
85.02947	7.0
86.12384	0.1
87.00863	1.0
87.04510	2.2
89.02437	7.6
90.90238	0.1
93.03463	0.4
95.01380	2.1
96.95991	0.2
97.02949	0.5
97.06597	0.8
99.00877	1.8
101.02437	7.6
102.02765	0.2
103.04041	0.3
107.01373	2.4
107.05013	0.2
111.00911	0.2
113.02439	16.8
114.02751	0.3
115.04035	0.2
119.03487	2.9
121.02946	0.3
121.59666	0.2
123.00859	0.2
124.01651	1.0
125.02439	1.8
129.01915	0.2
131.03485	0.9
134.03700	0.4
137.02412	0.3
143.03508	1.7
143.05099	0.2
147.83928	0.1
149.04498	0.3
149.09726	0.9
151.00352	8.3
152.01154	3.0
153.01912	0.4
155.10716	0.2
159.02957	0.7
159.04254	0.2
161.04541	8.0
161.09790	0.2
162.04755	0.2
162.64058	0.1
165.01868	0.1
167.10750	0.3
167.78943	0.2
168.64493	0.1
169.01424	0.6
173.04518	1.7
173.06070	0.4
178.99843	10.3
179.05595	2.0
180.00214	0.5
187.03947	0.3
187.07660	0.3
187.11317	0.3
189.09212	0.4
191.05591	0.8
193.01189	0.2
199.07649	0.3
200.04793	0.2
215.07115	1.9
216.07858	0.4
217.08571	0.5
227.07137	0.4
239.07050	0.2
243.06593	0.3
253.05023	0.5
255.03093	0.2
267.06467	0.2
270.01480	0.2
271.02420	0.2
271.06082	0.6
281.04422	0.2
291.06326	0.3
292.75037	0.2
293.04745	0.2
293.08463	0.4
295.05817	0.2
299.01901	0.2
300.02658	0.5
306.05331	0.2
309.03784	0.2
311.01923	0.4
321.03955	0.3
325.07101	0.3
333.07553	0.7
339.25156	0.8
349.09262	0.2
350.04105	0.2
351.08459	0.2
353.06610	13.2
354.06958	0.9
361.07166	1.6
367.10367	0.2
378.07275	0.6
379.08136	1.9
380.08258	0.2
396.08353	1.0
397.09213	3.0
483.29575	18.2
484.29956	1.3
501.30630	8.1
502.31042	0.8
543.14789	16.3
543.31860	0.6
544.15240	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	543.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92591	0.2
55.01877	0.8
57.03446	1.4
58.00585	0.8
59.01374	14.5
61.98813	0.3
67.01886	0.4
67.05544	0.4
69.03453	1.3
69.26711	0.4
69.27127	1.6
71.01379	10.8
71.05038	0.3
72.99290	0.5
73.02944	1.8
75.00886	0.3
79.95734	0.6
80.02675	0.9
80.05769	0.2
80.96507	1.0
81.03453	1.7
83.01386	2.7
83.05032	1.5
84.02150	0.2
85.02945	3.5
87.00870	1.7
88.98798	0.4
89.02439	9.9
91.04002	0.4
93.03468	0.8
95.01371	1.1
95.05022	1.3
97.02953	2.3
97.06582	5.2
98.20611	0.4
99.00866	0.6
99.04485	0.4
99.75304	0.2
101.02438	12.0
106.04223	0.7
107.05022	0.5
108.02162	0.2
109.02955	0.4
109.06589	0.9
110.03747	0.7
111.04516	0.8
111.08208	0.3
113.02443	5.6
113.06052	0.4
115.03997	0.2
115.07659	0.2
119.03496	2.3
119.08666	0.9
120.05813	0.2
121.02981	0.2
121.06584	1.5
121.10241	0.3
123.04530	2.9
123.08171	1.0
125.02430	0.6
125.06069	0.7
125.09718	5.3
131.03584	0.5
131.05038	0.2
132.11443	0.2
133.05077	0.3
135.04607	0.3
135.08162	1.2
136.05348	0.4
137.02411	0.2
137.06110	0.7
137.09727	3.5
141.09183	0.5
141.12845	0.9
142.02682	0.4
143.03499	0.9
145.05051	0.3
145.06563	0.3
147.08141	0.3
148.08894	0.3
149.04578	0.2
149.06070	0.9
149.09721	0.6
150.10469	0.4
151.11305	0.4
153.12959	0.2
156.04614	0.2
159.08183	0.2
160.08908	0.3
161.04565	5.1
161.09702	0.7
162.10498	0.6
163.07645	0.9
163.11276	7.2
164.98581	0.3
165.09151	0.6
165.12842	1.8
167.10786	0.6
171.10268	0.7
173.04552	0.6
174.10442	0.3
175.11304	1.0
177.12843	0.9
179.05612	1.4
179.10762	0.6
181.12343	1.1
185.11815	7.2
186.12117	0.3
189.12843	0.6
191.05638	0.6
191.10840	1.0
191.14409	9.7
192.14693	0.3
193.12294	0.6
197.11818	0.5
202.13562	0.3
203.14420	0.4
207.10243	3.4
207.13962	0.2
209.11812	20.6
210.12184	0.6
211.13373	1.8
215.14311	0.3
217.15953	1.3
219.10332	0.3
219.13904	0.3
221.11816	0.4
225.00648	0.3
225.11307	2.8
226.12035	0.3
227.12830	0.4
227.18044	0.4
235.08183	1.0
237.11305	13.8
237.99496	0.2
238.11687	0.7
243.17480	0.6
245.19080	17.3
246.19427	0.9
247.17072	0.3
253.09264	41.8
254.09666	1.1
261.18604	0.3
263.20129	4.9
263.22888	0.4
264.20438	0.3
265.18137	0.4
271.17059	2.4
279.19672	0.4
281.21313	1.0
289.18063	86.1
290.18417	5.2
307.19113	100.0
308.19476	6.2
308.22162	0.1
325.20242	0.8
445.20773	0.3
474.21371	0.3
499.14767	0.3
525.27081	0.8
543.16852	1.2
543.28070	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	543.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82600	0.3
55.01855	1.6
57.03443	18.0
58.00595	0.6
59.01374	100.0
60.01709	0.7
60.13692	0.3
61.98819	0.6
69.03439	2.4
69.93376	1.6
71.01376	41.1
71.05022	0.9
72.01741	0.3
72.99303	0.9
73.02940	18.3
74.26589	0.3
75.00871	0.8
78.98612	0.6
79.95742	1.0
80.96510	4.5
81.03448	0.6
81.72504	0.3
83.01388	5.3
85.02424	0.7
85.02946	13.9
87.00881	2.7
89.02438	15.1
93.03458	1.0
94.98083	1.0
95.01360	2.6
96.96008	1.3
97.02956	2.4
98.95607	0.4
99.00873	40.5
101.02434	17.1
107.01400	0.9
107.05061	0.4
109.06586	1.5
111.00808	0.3
113.02440	16.2
119.03485	0.6
121.06593	0.9
123.08177	0.5
124.01645	0.4
125.02439	4.8
127.04095	0.5
131.03491	5.6
137.09711	4.0
139.07643	1.4
143.03496	3.4
148.99120	0.3
149.04538	17.8
149.09685	1.1
151.00385	2.9
151.03999	0.5
151.07625	0.4
151.11295	1.1
152.01132	1.1
152.04892	0.3
152.98660	0.4
155.03484	1.4
159.02971	1.0
161.04544	9.6
162.05000	0.4
164.07310	0.4
164.98564	0.5
165.12857	0.5
173.04509	1.4
173.05966	0.5
178.99857	2.3
182.96318	0.3
187.11263	0.5
189.12798	0.8
191.05586	19.6
192.06021	0.3
192.11540	9.4
192.23915	0.3
193.11879	0.6
199.92419	0.3
199.94676	0.3
203.05589	21.8
204.05940	0.5
206.13120	0.6
207.13875	51.8
208.14320	1.8
208.98827	0.3
211.13484	0.4
215.07043	0.5
225.00722	1.1
227.07140	0.4
233.06633	3.7
267.06540	0.3
275.07730	0.7
293.08801	0.6
311.02225	0.5
332.62964	0.4
335.09766	1.2
336.06223	0.3
353.06613	12.2
354.06931	0.6
361.07108	0.6
369.99036	0.4
371.69382	0.4
379.08099	1.4
396.08035	0.3
397.09436	1.6
411.20126	0.6
437.20007	0.3
483.22107	1.0
501.23337	33.2
502.23810	2.1
543.15143	8.7
543.24445	74.7
544.15369	1.1
544.24634	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	543.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03426	0.5
58.00589	1.6
59.01374	67.2
60.01711	0.4
63.59519	0.3
69.03457	2.0
70.07490	0.7
70.07899	1.2
71.01377	46.7
72.46027	0.4
72.99304	1.9
73.02942	31.4
79.95737	0.4
80.96503	1.9
81.03442	1.4
83.01376	2.5
85.02941	5.0
87.00872	1.0
89.02437	67.1
90.02766	0.7
93.03464	0.6
93.26010	0.3
95.01402	0.8
97.02938	2.3
98.19977	0.6
99.00873	100.0
100.01199	1.5
101.02432	11.1
111.00864	0.4
111.04531	0.4
113.02438	12.2
119.03480	1.4
123.00896	0.4
125.02442	6.4
127.04012	0.5
129.20364	0.4
131.03494	18.2
143.03468	5.8
143.42978	0.3
149.04539	71.8
150.04863	1.2
151.00398	0.8
152.24120	0.3
155.03470	5.0
160.04045	0.4
161.04521	4.6
171.36952	0.3
173.04506	1.1
178.99750	0.9
191.05591	39.8
192.06003	0.7
203.05586	21.5
204.05902	0.9
211.13425	0.4
233.06621	7.9
284.03058	0.5
285.04037	0.5
335.09711	2.1
353.06656	3.1
379.08118	0.5
397.09369	0.5
431.09708	0.6
468.08395	0.4
490.86630	0.4
543.14539	1.6
543.21790	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	543.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44518	0.4
55.01871	1.0
58.00589	2.0
59.01374	72.7
59.84026	0.4
69.03464	2.1
70.89066	0.3
71.01377	49.7
72.01736	0.6
72.99304	2.2
73.02941	34.3
79.01902	0.5
80.96529	0.4
81.03452	1.7
83.01369	1.9
84.20144	0.4
85.02946	5.6
87.00877	0.7
89.02437	66.3
90.02750	0.6
95.01377	1.1
97.02946	2.9
99.00873	100.0
100.01222	1.4
101.02438	12.8
113.02444	13.1
119.03482	1.7
125.02441	7.0
131.03497	20.7
137.09715	0.7
143.03479	6.0
149.04539	74.8
150.04898	1.1
155.03484	5.7
161.04536	5.5
173.04416	0.5
191.05594	40.4
192.05908	0.6
203.05598	22.2
204.05920	0.5
225.34801	0.4
233.06635	8.3
274.99744	0.5
316.10953	0.5
335.09750	1.1
353.06564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40103	0.4
56.86788	0.3
59.01366	2.6
61.98823	5.6
63.96212	0.6
70.00246	0.4
71.01370	5.0
73.02927	1.6
78.95905	0.7
78.98589	4.2
79.95733	8.3
80.81882	0.4
80.96510	46.1
81.03436	1.3
84.77324	0.4
85.02943	2.6
87.00858	1.7
89.02470	0.6
93.03436	0.5
94.98082	11.5
95.01396	0.5
96.96005	5.0
97.02930	1.3
99.00873	0.5
99.04520	0.4
101.02419	2.8
106.98080	2.7
113.02414	0.9
119.35207	0.5
122.97579	3.9
125.02446	3.1
127.03981	0.9
134.97585	2.9
136.99138	1.0
148.99123	4.8
152.98607	5.1
152.99692	0.6
163.11378	0.4
164.98624	8.5
166.61021	0.4
173.04453	0.5
181.12392	0.7
182.99693	2.3
187.76537	0.4
187.86867	0.3
191.05586	2.3
206.99634	3.1
207.10194	0.9
209.11723	0.7
225.00703	18.3
225.11269	1.5
226.00951	0.5
243.01758	1.7
243.12309	0.8
290.94333	0.4
299.04507	2.3
438.47662	0.4
465.47000	0.4
471.15262	0.8
525.16254	0.8
543.17456	100.0
544.17828	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	543.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10305	0.3
53.68689	0.4
59.01379	2.4
61.98824	2.0
63.96220	0.8
65.85438	0.3
67.83212	0.4
71.01378	7.4
71.17431	0.8
73.02937	1.8
78.95901	5.8
78.98586	4.3
79.95727	8.0
80.96510	52.8
81.03465	0.9
83.05011	0.4
85.02944	2.2
87.00863	2.5
89.02450	0.6
94.98079	11.7
96.96008	4.2
96.96957	0.9
97.02938	1.5
98.95573	0.5
99.00866	1.4
101.02441	3.1
106.98087	2.3
109.02919	0.4
113.02434	1.1
122.97572	4.7
125.02442	3.5
127.04012	0.7
128.55153	0.4
134.06073	0.5
134.97577	3.8
136.99133	1.2
143.03482	0.6
146.97517	0.4
148.99124	5.6
152.98605	5.5
152.99631	1.1
162.05566	1.4
163.11179	0.5
164.97258	0.8
164.98604	10.8
167.00090	0.6
173.04469	0.8
179.00185	0.4
181.12376	0.6
182.99680	2.0
191.05592	2.1
199.13394	0.9
206.99612	3.2
207.10271	1.5
209.11801	4.0
214.82408	0.4
225.00726	19.9
225.11324	3.0
226.01140	0.6
227.12598	0.4
241.01118	0.7
243.01750	1.6
243.12283	1.4
299.04361	2.5
317.05466	0.5
317.16101	0.7
336.11069	0.5
437.16809	0.7
471.14917	0.4
479.95212	0.4
483.24387	1.5
497.17108	0.4
499.17029	0.8
525.16351	6.5
543.17474	100.0
544.17932	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01879	0.6
59.01384	4.8
61.98826	1.5
63.96220	1.5
69.03456	1.1
71.01376	12.5
71.08386	1.5
72.99288	0.9
73.02938	3.4
74.09297	0.6
75.45307	0.7
75.57784	0.6
78.98590	8.0
79.95335	0.6
79.95733	34.1
80.96514	100.0
81.03467	1.2
85.02949	4.1
87.00880	3.8
94.98084	22.7
95.01386	1.0
96.96007	3.4
97.02934	2.4
98.20806	0.5
99.00893	1.2
101.02425	4.1
106.98073	3.9
122.97589	9.1
125.02447	5.0
127.04008	1.2
134.97566	7.5
136.99153	2.1
143.03473	1.1
148.99117	7.4
152.98625	10.4
164.98619	16.4
167.00250	0.7
171.10152	0.6
173.04564	1.4
181.12306	0.8
182.99742	3.3
185.11618	0.7
191.05568	1.6
199.13438	1.0
206.99693	5.9
207.10197	0.8
208.69081	0.6
212.64740	0.8
220.66644	0.7
225.00726	33.8
225.11226	3.2
226.01006	0.8
241.64948	0.7
243.01729	3.6
243.12383	1.1
253.26039	0.6
270.16769	0.6
293.13449	0.6
299.04361	5.1
302.50931	0.7
306.37408	0.6
317.05167	0.7
317.16022	1.7
369.12299	0.6
411.21719	0.7
471.15015	1.8
481.16177	0.7
485.16864	2.1
497.16940	3.8
499.18698	1.6
521.97101	0.7
525.16431	35.5
526.16656	1.9
539.82587	0.8
543.17487	59.4
544.17957	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	543.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74180	0.5
59.01371	3.8
59.16684	0.5
61.98813	0.8
63.28345	0.5
65.00310	1.3
68.57682	0.5
69.83237	2.9
71.01383	2.0
76.87958	0.7
79.95731	0.9
83.01394	0.8
85.02959	0.8
87.00880	0.8
89.02418	0.6
93.03467	2.3
96.95992	1.1
107.01402	2.1
113.02431	0.6
131.05014	0.6
133.02905	0.6
139.05565	0.6
145.02959	0.9
147.99040	0.6
151.00351	7.3
153.54774	0.5
155.04970	1.3
157.02995	0.8
158.03624	0.6
159.04485	0.6
171.04434	1.4
173.04553	3.1
178.99861	1.8
183.04498	3.0
185.02419	1.1
186.03154	1.3
187.03908	1.3
191.05576	3.5
192.00409	0.5
198.03206	0.9
199.03964	7.0
201.01855	0.9
203.03484	1.1
209.11818	0.7
211.04004	1.0
214.02672	4.7
215.03445	2.1
216.00684	0.7
225.11299	0.7
226.02711	0.9
227.03450	6.5
229.08595	0.7
230.54202	0.6
231.48531	0.7
233.45122	0.6
241.01352	13.8
242.02184	12.3
243.02945	15.5
245.00859	9.5
255.02946	12.9
270.01669	28.3
271.02429	40.6
272.02908	1.5
273.00412	1.0
283.02527	0.7
298.01151	19.2
299.01932	100.0
300.02634	29.8
301.03271	4.0
353.06516	1.1
354.94482	0.5
367.08136	0.9
369.09747	0.8
396.08344	4.3
397.09262	7.0
409.81860	0.5
410.15973	0.6
445.07605	7.2
446.08472	63.4
447.08899	4.7
543.15002	68.7
544.15393	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	543.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
57.07198	0.4
57.73343	0.4
59.01376	1.1
59.48864	0.4
63.02395	7.1
65.00314	6.6
68.99821	0.7
69.40610	3.1
71.01357	0.6
83.01384	6.9
87.33782	0.3
89.02517	0.4
89.92498	0.3
94.01453	0.4
95.01344	0.7
96.02147	0.4
107.01381	15.7
109.02968	0.9
123.00909	0.6
123.24934	0.3
124.01643	3.6
125.02438	11.5
137.02428	0.6
151.00356	67.0
152.01141	11.0
153.01942	4.3
156.73975	0.4
159.04498	1.4
163.00366	0.7
164.01006	0.4
169.01419	4.3
170.03700	0.5
172.05321	0.8
173.06039	1.8
175.03999	0.6
177.01913	1.8
178.99841	100.0
180.00186	2.4
181.01411	1.5
182.03584	0.5
187.04018	0.8
187.07632	1.3
188.04831	0.6
189.05576	1.7
190.02769	0.9
191.05522	0.5
197.06113	1.1
199.07625	1.6
200.04733	3.0
201.05560	1.0
202.06293	0.8
212.04765	0.4
213.05508	0.4
215.07092	20.4
216.07674	1.3
217.08649	3.9
219.06573	0.4
225.05565	0.9
226.02638	0.4
226.06551	0.5
227.03522	0.6
227.07100	2.6
232.03760	1.1
241.05032	0.6
241.08699	0.5
242.02094	0.4
242.05826	1.5
243.02927	0.5
243.06557	2.2
245.08234	0.6
253.04991	3.3
254.05713	0.9
255.03024	1.6
265.08713	0.4
267.06635	0.7
268.07184	0.5
270.05231	0.8
271.02527	2.4
271.06097	8.1
272.06396	0.4
278.05841	0.6
290.05511	0.5
291.06757	0.7
292.07349	0.5
293.04745	0.5
293.08069	0.7
294.05301	0.5
299.01828	0.9
300.02725	3.8
309.07568	0.6
311.09262	0.5
321.04004	0.8
322.04831	1.2
323.09247	0.8
325.07086	1.6
333.07745	1.1
335.09091	0.5
336.06091	0.8
339.24387	0.4
350.04294	0.4
351.08679	1.6
353.06619	12.3
354.06973	0.5
361.07169	0.5
369.09750	0.7
378.07281	0.9
379.08267	5.2
380.08896	0.6
397.09216	20.7
398.09464	1.2
417.11914	1.2
543.15015	64.8
544.15363	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	543.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
59.01375	14.2
63.02399	6.9
65.00317	8.2
69.29501	0.7
69.29909	3.0
71.01372	2.2
73.02941	0.6
75.44226	0.4
77.57118	0.4
83.01380	7.8
85.02950	1.3
89.02444	0.8
95.01376	0.9
101.02459	1.0
106.36150	0.5
107.01381	18.2
109.02956	1.2
111.00867	0.6
113.02441	1.7
115.30324	0.4
119.03490	0.9
123.00878	0.5
124.01658	5.5
125.02441	11.9
126.02803	0.5
135.00851	0.5
137.02446	1.0
139.00368	0.7
148.01805	0.4
148.70737	0.4
149.26909	0.4
151.00359	72.6
152.01144	14.7
153.01933	4.3
159.04485	1.5
159.06049	0.4
161.04576	0.7
161.05934	0.4
163.00403	0.6
169.01405	4.5
172.05171	0.5
173.04689	0.5
173.06065	2.2
174.06737	0.4
175.07629	0.4
176.23163	0.4
177.01883	1.5
178.99844	100.0
180.00192	2.3
181.01430	1.3
186.06851	0.6
187.04018	1.2
187.07603	1.7
188.04691	1.0
188.08414	0.4
188.16907	0.4
189.05605	1.4
189.09210	1.0
190.02687	1.2
191.03595	0.4
191.05626	0.7
197.06093	0.9
199.07675	1.9
200.04820	2.4
201.05498	1.0
202.06419	0.7
211.03902	0.7
212.04700	0.5
215.07098	20.1
216.07722	1.9
217.08662	5.1
225.05640	2.1
226.02634	0.5
226.06244	0.5
227.07112	2.6
232.03661	0.7
241.01395	0.4
241.05125	0.6
241.08559	0.5
242.02492	0.5
242.05826	0.9
243.02872	0.6
243.06641	2.9
244.07268	0.7
251.07164	0.4
253.05104	3.6
254.05757	1.7
255.02956	0.9
267.06598	1.0
269.08237	0.7
271.02515	2.0
271.06085	7.7
277.05106	0.5
281.08038	0.4
291.06558	0.6
293.04779	0.6
293.08127	0.6
294.05362	0.5
296.03256	0.7
298.08328	0.5
299.01926	1.1
300.02765	3.7
305.08133	1.0
307.09689	0.7
308.02972	0.5
309.04083	0.5
309.07520	0.6
311.02011	0.9
311.09235	0.7
321.04010	0.8
322.04764	1.1
323.09052	0.6
325.03506	0.5
325.07108	1.2
333.07605	3.2
334.08517	0.5
335.09116	0.8
336.06522	0.8
350.04300	0.6
351.08572	1.4
353.06607	14.4
353.10925	0.7
354.06927	1.1
361.07172	5.5
369.09793	0.8
378.07428	1.6
379.08160	7.5
391.13843	0.5
396.08383	1.5
397.09207	18.4
398.09323	0.9
417.12030	1.3
483.29419	1.8
501.30396	1.1
525.14319	0.5
543.15027	64.2
544.15302	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	541.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
60.99304	13.5
61.98826	1.5
71.01380	0.7
71.63110	0.3
75.00915	0.3
76.47386	0.3
78.95907	2.4
79.95729	0.3
80.96528	1.5
85.02944	0.4
87.00874	0.4
88.00395	1.1
88.98801	100.0
89.02435	4.4
89.99146	0.7
93.03441	0.5
94.98102	0.3
96.96004	3.0
96.96932	0.5
97.02956	0.5
101.02487	0.3
109.06590	0.6
113.02431	0.5
136.83289	0.2
142.02545	0.3
152.98668	0.2
152.99622	2.4
163.11282	0.8
164.98576	0.3
173.04524	0.5
181.12337	0.9
189.20407	0.2
191.05632	1.4
207.10263	2.6
209.11850	1.1
219.11766	0.3
225.11293	3.3
241.01181	1.0
342.13385	0.5
343.13766	0.5
367.21420	0.3
450.17163	0.3
510.18585	0.3
541.16528	8.8
542.17157	0.6
562.54840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3011
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01862	0.8
57.03434	1.2
58.00587	1.2
59.01373	100.0
60.01699	0.9
61.01769	0.3
61.98819	1.9
67.01873	0.4
69.03431	1.0
71.01376	42.9
71.63365	0.2
72.01740	0.4
72.99300	2.0
73.02941	28.1
74.03284	0.3
75.00868	0.7
78.95889	0.4
81.03438	0.6
83.01378	8.7
83.05029	0.3
85.02425	0.5
85.02943	9.0
87.00879	2.0
87.04511	0.6
89.02436	18.0
93.03456	1.0
95.01369	2.6
96.95998	1.7
97.02947	0.9
99.00855	1.4
99.04494	0.3
101.02435	32.3
102.02773	0.3
108.49192	0.2
109.02930	0.5
111.00835	0.2
113.02441	27.1
114.02728	0.5
119.02621	0.4
119.03488	7.7
121.02955	0.2
121.10213	1.2
125.02433	1.5
131.03485	3.3
135.04497	0.7
135.08083	0.2
143.03477	4.0
149.04536	3.3
151.00406	0.4
155.03477	0.6
161.04546	8.9
162.04745	0.3
173.04514	1.2
178.99796	0.3
179.05579	4.5
191.05600	1.4
196.69562	0.2
203.05562	0.6
221.06610	0.9
267.19525	0.2
277.17975	0.4
287.16367	0.2
301.21616	0.9
305.17352	0.2
319.22739	4.2
320.23196	0.4
337.23831	0.3
376.92502	0.2
437.24625	0.4
439.46365	0.2
449.14215	0.4
481.28049	3.1
499.29306	1.8
541.12756	0.5
541.25684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84661	0.9
53.99754	0.8
59.01375	100.0
61.98820	2.6
70.83893	2.0
71.01377	12.2
73.02937	6.4
78.55269	0.9
78.95868	1.2
83.01395	1.9
85.02948	4.3
89.02430	6.5
93.03449	1.5
96.95990	2.2
101.02431	7.3
111.08083	1.6
113.02421	6.2
116.92847	1.0
117.07075	5.4
119.03481	2.8
125.02399	0.8
125.09711	1.2
143.03503	1.5
149.04506	0.9
161.02296	1.1
161.04539	3.2
171.10236	1.6
172.10590	1.4
173.04520	2.3
179.05510	1.1
191.05540	2.4
209.11774	1.1
244.54404	1.0
253.09178	1.2
287.16473	4.6
298.86264	0.9
305.17514	3.2
343.24847	1.4
365.88345	0.9
368.24084	1.6
437.25208	3.8
455.26431	7.7
456.26990	1.0
497.27512	2.7
523.25385	9.5
524.25751	1.4
542.29285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03429	0.8
59.01376	100.0
61.98821	3.1
69.45711	5.1
69.46122	1.7
71.01379	9.9
73.02940	5.4
78.95908	1.8
83.01387	2.5
85.02950	3.7
89.02447	6.5
93.03466	1.9
95.01321	1.1
96.96005	1.6
101.02438	8.8
111.08163	1.1
112.46620	0.7
113.02413	5.6
116.97207	0.9
117.07079	8.3
119.03504	1.4
125.09715	1.8
137.02440	1.4
161.04517	2.1
173.04497	3.1
177.34471	0.8
179.05603	1.2
184.01753	0.7
191.05571	2.7
203.46457	0.7
242.79968	0.9
253.04675	0.8
253.09207	1.2
287.16483	5.9
305.17508	1.3
335.41467	0.8
344.25183	1.0
437.25443	2.7
455.26517	5.9
497.27478	0.9
523.25446	10.7
524.25867	0.8
550.59869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
61.98817	1.7
63.96246	0.6
69.03439	0.8
71.01376	5.4
73.02938	2.0
76.46222	0.3
78.95899	0.5
78.98580	4.7
79.95732	7.9
80.96509	49.1
81.03437	0.6
85.02943	2.0
87.00858	1.9
89.02452	0.6
94.16833	0.4
94.98077	12.0
95.01398	0.6
96.96002	6.1
97.02935	0.9
101.02442	2.5
106.98083	2.1
109.02941	0.4
113.02431	0.7
121.02925	1.5
122.97572	4.1
125.02441	3.2
127.03999	0.6
134.97571	4.1
135.04570	0.6
136.99129	1.1
148.99124	4.8
152.98605	6.1
152.99716	0.7
164.98608	10.6
167.00275	0.5
179.03459	0.6
179.10779	0.9
182.99611	1.9
188.98663	0.5
191.05589	1.1
197.11795	6.8
206.99629	3.1
207.04817	0.4
209.04504	1.0
225.00710	19.6
226.01048	0.4
241.10812	1.5
243.01793	1.7
253.04250	0.4
256.03726	0.4
299.04501	2.0
315.14429	1.5
320.38281	0.4
354.53882	0.3
541.15894	100.0
542.16254	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	539.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35749	0.8
59.01375	5.8
59.56657	0.9
61.98806	3.9
67.43308	0.9
71.01351	2.0
71.29150	1.7
78.95898	20.2
83.05032	0.9
92.03780	0.9
93.03435	1.9
96.95980	1.8
96.96941	2.4
97.06597	1.2
99.08147	3.9
113.09716	3.0
129.09190	4.1
139.11258	2.1
151.11270	1.5
152.99577	19.0
153.12811	1.1
165.12804	1.2
167.14406	1.2
169.12231	2.7
171.00624	2.1
171.10245	8.7
172.10579	1.1
173.04533	2.7
181.12311	4.8
183.13843	1.9
183.89609	0.8
185.11896	1.0
191.05602	2.6
193.12306	3.1
195.13719	0.9
197.11771	8.0
199.09683	1.3
199.13312	5.0
206.57176	0.9
207.10269	1.0
209.11696	1.7
210.12213	1.2
211.13373	17.5
214.04633	1.1
227.12808	1.2
229.01019	0.8
233.63750	0.9
245.04152	4.7
258.48230	1.0
270.62772	0.9
275.20111	2.1
289.16821	0.9
291.19229	0.9
293.21198	15.3
299.69342	1.0
311.22250	80.8
312.22583	3.6
333.72797	1.2
345.22302	0.9
346.76706	1.0
404.59341	1.0
539.26202	100.0
540.26532	7.1
557.82501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2623
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
57.03434	1.6
59.01376	10.4
61.98809	3.8
69.82149	4.3
71.01365	2.7
78.95899	18.3
83.05005	1.1
85.02917	1.2
93.03446	0.9
96.96028	1.5
96.96938	1.2
98.19910	1.0
99.08147	3.6
107.73598	0.8
111.08091	0.8
113.09700	3.4
118.05684	0.9
127.07603	0.9
129.09232	5.5
129.10023	1.0
141.09186	0.8
149.24907	0.9
149.76558	0.8
151.11232	0.9
152.99585	19.6
165.12737	0.9
169.12306	3.9
171.00606	3.7
171.10239	2.2
173.04477	2.1
181.12378	5.5
183.13867	2.4
191.05591	1.8
193.12245	1.3
197.11807	13.8
199.09785	2.2
199.13385	7.9
211.11417	1.5
211.13373	20.1
217.00230	1.7
227.03262	1.5
245.04259	4.0
261.94733	0.9
265.21774	1.0
275.20059	1.1
293.21204	16.9
294.21500	1.3
303.39468	0.9
311.22256	80.4
312.22519	5.0
337.13269	0.9
503.53345	0.9
539.26178	100.0
540.26532	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01701	1.4
71.01377	23.3
73.02943	18.9
79.09944	1.5
83.01373	6.0
84.81773	1.4
85.02943	6.4
87.00882	2.1
89.02428	11.7
90.92703	1.2
95.01385	2.1
97.02943	1.3
98.19828	3.4
101.02439	20.9
113.02442	17.1
119.03500	4.1
119.31562	1.5
131.03470	1.5
136.05313	1.3
141.42931	1.2
143.03444	1.4
149.04552	3.3
151.07663	10.7
152.08437	15.6
161.04567	8.7
179.05646	1.6
244.67952	1.6
273.18628	1.6
301.16681	1.9
347.71243	1.4
375.55368	1.5
417.23019	1.6
435.23849	16.9
453.25027	8.1
472.59073	1.7
476.24649	1.6
495.26038	11.1
496.26511	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	539.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98790	1.5
66.54834	1.3
69.32928	2.9
69.33331	8.5
71.01376	25.3
72.99320	2.2
73.02952	11.2
74.28482	1.3
83.01384	2.6
85.02941	7.2
87.00886	1.5
88.98752	1.6
89.02439	13.0
89.80292	1.1
92.47513	1.2
95.01383	2.3
95.41199	1.1
98.19805	2.5
99.00951	1.5
101.02443	15.1
104.75278	1.3
109.56345	1.3
113.02437	18.1
119.03500	2.7
131.03455	1.6
136.05240	3.0
143.03452	1.7
149.04539	1.4
149.06029	1.6
151.07614	8.2
152.08437	18.4
161.04509	5.2
175.35641	1.2
178.97922	1.2
203.10783	3.2
217.12263	4.0
218.13013	1.5
273.18600	2.7
291.19479	3.4
330.77826	1.5
343.24765	1.9
348.11273	1.4
365.45203	1.5
417.22849	1.9
435.23834	68.3
436.24030	4.5
453.24820	25.3
495.25974	16.6
496.26251	1.6
540.29401	2.1
542.57739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
59.01375	100.0
61.98815	2.0
70.52405	3.6
70.52760	1.1
71.01377	29.8
72.99329	1.0
73.02943	12.3
73.16563	1.0
74.10838	1.0
78.95905	1.8
83.01376	3.5
85.02945	9.1
87.00893	1.1
88.98801	2.7
89.02450	14.0
91.18436	1.2
95.01387	4.5
96.95982	1.5
99.00866	1.8
99.50847	1.2
101.02431	14.0
113.02441	21.7
119.03474	3.5
121.59016	1.1
124.01592	1.3
125.06066	1.9
131.03488	2.4
136.05310	3.0
143.03511	1.5
149.04491	1.3
149.06047	1.9
151.07620	12.6
152.08427	10.6
161.04514	3.9
165.09174	1.8
171.10243	1.3
173.04469	2.9
179.05530	2.0
191.05559	3.7
200.67343	1.1
203.10791	2.9
217.12286	2.6
273.18579	3.3
291.19620	5.7
343.24783	3.1
417.22809	3.6
435.23792	64.9
436.23972	5.1
453.24826	24.2
476.45905	1.5
479.26547	1.3
495.25992	21.6
496.26440	2.2
540.29144	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	539.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15639	0.9
55.01863	4.0
57.03439	2.5
58.00583	1.0
59.01373	100.0
62.94194	0.8
67.57184	0.8
69.36928	7.2
71.00982	1.9
71.01375	39.0
72.01707	1.2
72.99295	1.4
73.02938	20.5
75.00837	1.8
77.68130	0.9
83.01392	8.2
85.02943	22.9
86.00076	2.3
87.00870	4.3
88.98792	3.5
89.02435	14.6
93.03474	1.6
95.01380	5.2
96.95987	4.0
97.02955	2.4
99.00866	14.0
101.02433	34.2
111.00851	4.6
112.01637	2.2
113.02437	24.1
116.23487	0.9
119.03483	0.9
125.02454	5.3
129.01953	1.0
131.03476	3.1
139.77446	0.9
141.01842	1.0
143.03506	4.6
149.04538	10.1
150.42953	1.0
158.23315	0.9
159.02959	3.9
161.04515	10.8
168.59111	1.0
173.04536	1.1
191.05595	7.7
233.06641	5.4
293.08804	5.4
303.18188	2.0
303.43964	0.9
311.09634	1.9
317.19611	1.6
321.19092	12.0
335.20782	6.2
363.20242	5.6
431.23016	1.7
435.22189	3.4
453.23358	19.0
459.09058	0.9
459.24799	1.1
479.24948	70.5
480.25140	5.5
495.24438	46.5
496.24811	2.7
497.25986	45.1
498.26593	2.5
539.26746	2.6
539.34552	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	539.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20866	0.6
58.00614	1.2
59.01376	25.8
61.44430	0.7
68.40757	0.7
69.53217	4.4
69.53622	1.4
71.01381	21.9
72.99337	1.2
73.02999	2.6
76.32742	0.6
83.01431	1.9
85.02943	5.3
86.71267	0.6
87.00878	5.9
89.02438	40.7
94.55034	0.6
95.01440	1.9
97.03002	1.8
98.19919	1.7
98.88824	0.7
101.02435	18.7
113.02440	16.0
115.04076	0.8
119.03497	7.4
125.02502	1.6
129.01953	1.0
131.03574	2.6
143.03482	4.1
149.04614	0.8
161.04552	10.9
161.05832	0.8
178.92009	0.6
179.05597	27.3
180.05891	0.8
221.06647	17.0
221.08682	1.2
238.96664	0.7
263.07693	0.9
281.08881	1.8
317.05392	1.0
323.09824	4.8
341.10928	4.8
342.10852	0.8
377.08444	10.6
383.11829	1.8
503.16138	100.0
504.16315	4.0
539.13794	55.1
540.14368	2.8
552.59869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03434	1.3
57.28909	0.4
58.00606	2.3
59.01376	33.6
60.99288	0.7
61.98827	1.1
69.03437	1.0
69.31174	3.6
71.01377	29.4
71.05036	0.4
72.99294	1.3
73.02946	8.3
75.00873	1.0
83.01385	7.0
83.05022	0.6
85.02945	9.4
87.00871	28.1
88.98797	0.9
89.02438	26.2
90.98578	0.5
93.03455	1.0
93.88988	0.4
95.01381	2.5
96.96016	1.3
97.02957	1.4
99.00867	1.7
101.01756	0.9
101.02437	17.8
109.06548	0.7
111.00839	0.8
111.08084	0.4
113.02442	19.3
115.04004	1.3
119.03491	9.6
119.04957	0.5
125.02437	1.4
125.06076	0.5
126.71124	0.4
129.01939	1.1
131.03477	1.7
134.03650	0.4
135.04509	0.7
137.02417	0.4
139.07649	1.0
141.01950	1.7
143.03491	5.3
149.02434	0.5
149.04541	1.0
152.99669	0.5
159.02965	0.9
160.01717	0.4
161.04532	7.3
167.14421	2.1
173.04565	2.0
179.03731	0.5
179.05586	11.1
179.14391	1.1
183.12344	0.8
183.13884	12.6
184.14319	0.5
191.05612	2.8
191.14380	2.1
193.15947	0.5
195.13885	13.0
196.14218	0.4
197.15421	2.6
207.13857	1.4
209.15451	3.4
213.14940	100.0
214.15327	3.1
214.23862	0.5
223.16913	0.5
227.16508	8.7
228.16757	0.4
228.65625	0.5
237.14958	6.1
241.14583	0.5
249.14917	1.7
255.15991	10.4
267.16074	2.7
283.13367	0.5
315.18158	1.0
323.09793	14.4
341.10846	56.0
342.11081	2.0
433.27802	2.0
451.29169	1.1
453.02109	0.4
477.23514	1.5
537.25616	5.6
537.32782	0.9
538.25623	0.8
563.56396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66959	0.8
53.75575	0.8
55.01867	1.2
57.03432	3.4
58.00589	1.5
59.01374	97.6
61.98838	4.3
65.76893	0.8
67.01870	1.0
71.00984	1.6
71.01378	32.7
72.99304	2.9
73.02937	18.0
75.00895	1.3
83.01394	3.8
85.02940	14.4
87.00880	3.1
87.04501	1.3
87.23964	0.9
88.98773	4.1
89.02434	36.0
93.03468	2.4
95.01377	2.6
96.96011	6.3
97.02930	2.4
99.00874	43.0
99.04526	1.0
101.02441	22.3
102.58669	0.8
105.05572	3.4
109.02950	1.6
113.02444	21.9
119.03477	4.5
125.02451	2.0
129.01884	1.0
131.03468	8.1
131.04306	1.0
143.03506	3.9
149.04541	44.9
155.03534	1.3
161.04550	14.1
165.12823	1.2
173.04568	3.9
189.12962	1.0
191.05595	29.2
192.05972	0.9
203.05602	3.3
207.14000	1.8
209.11784	4.6
218.21426	0.8
221.06639	0.8
225.14941	3.6
227.12842	19.4
228.13158	1.3
229.56238	1.1
233.06644	18.8
241.14644	0.9
249.09831	3.8
267.10873	7.0
288.15521	1.0
293.08771	12.4
309.11871	2.2
311.09879	3.1
451.21960	2.3
477.23761	1.8
493.22977	12.6
495.24622	1.4
519.24530	8.3
537.25580	100.0
537.32544	6.4
538.25781	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	537.2548
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
50.66959	0.8
53.75575	0.8
55.01867	1.2
57.03432	3.4
58.00589	1.5
59.01374	97.6
61.98838	4.3
65.76893	0.8
67.01870	1.0
71.00984	1.6
71.01378	32.7
72.99304	2.9
73.02937	18.0
75.00895	1.3
83.01394	3.8
85.02940	14.4
87.00880	3.1
87.04501	1.3
87.23964	0.9
88.98773	4.1
89.02434	36.0
93.03468	2.4
95.01377	2.6
96.96011	6.3
97.02930	2.4
99.00874	43.0
99.04526	1.0
101.02441	22.3
102.58669	0.8
105.05572	3.4
109.02950	1.6
113.02444	21.9
119.03477	4.5
125.02451	2.0
129.01884	1.0
131.03468	8.1
131.04306	1.0
143.03506	3.9
149.04541	44.9
155.03534	1.3
161.04550	14.1
165.12823	1.2
173.04568	3.9
189.12962	1.0
191.05595	29.2
192.05972	0.9
203.05602	3.3
207.14000	1.8
209.11784	4.6
218.21426	0.8
221.06639	0.8
225.14941	3.6
227.12842	19.4
228.13158	1.3
229.56238	1.1
233.06644	18.8
241.14644	0.9
249.09831	3.8
267.10873	7.0
288.15521	1.0
293.08771	12.4
309.11871	2.2
311.09879	3.1
451.21960	2.3
477.23761	1.8
493.22977	12.6
495.24622	1.4
519.24530	8.3
537.25580	100.0
537.32544	6.4
538.25781	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	537.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.6
57.03713	0.9
59.01385	5.8
59.01630	1.0
61.98817	1.8
68.99548	0.9
69.03458	1.0
71.01363	1.0
71.63110	1.1
73.02929	0.9
78.95900	30.1
80.02663	2.4
81.03455	3.1
83.01379	8.9
83.05016	4.4
93.03470	1.4
95.05016	2.2
96.95969	1.6
96.96965	2.6
97.02959	1.3
97.06553	2.4
98.03699	1.2
101.42322	1.2
106.04235	1.0
111.08167	1.8
112.03085	0.9
113.09694	3.2
123.04507	3.2
123.08136	3.2
125.06049	2.0
125.09711	8.1
127.11258	1.5
135.08128	1.6
137.54634	1.0
139.11284	5.4
140.90678	1.1
141.09267	1.2
147.11874	1.2
151.11247	1.2
152.99577	24.7
154.00032	1.1
155.10626	1.1
162.10349	1.2
163.11266	6.4
165.12827	10.3
167.10759	5.0
168.04239	1.5
168.11528	1.5
171.00656	3.7
173.09729	1.3
181.12277	3.1
183.13812	1.4
191.05666	1.2
191.10684	3.2
193.12270	1.3
193.15932	3.7
195.13934	1.7
197.11720	1.6
207.10228	1.8
209.11807	46.0
210.12051	2.0
223.13348	3.8
224.13661	2.5
227.03285	2.3
242.08067	2.0
243.08278	1.4
245.04298	6.0
247.20625	10.9
265.21664	2.7
273.18689	2.4
291.19623	51.9
292.19922	3.0
293.21234	9.7
294.21536	22.7
299.09326	1.1
309.20676	59.0
310.20978	3.7
382.68860	1.2
449.20944	1.4
537.24646	100.0
538.24976	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	537.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.00579	2.2
59.01375	92.6
60.99290	2.7
61.98824	5.9
66.35179	1.3
69.03468	1.9
69.58900	6.9
69.59319	3.3
71.01376	44.5
72.99304	3.3
73.02943	23.3
83.01389	2.6
85.02946	16.6
87.00847	1.6
88.98800	18.5
89.02440	78.1
93.03469	4.3
95.01398	6.7
95.30148	1.4
96.96024	4.8
99.00874	67.0
101.02440	20.2
105.05566	2.7
113.02451	35.5
119.03471	4.6
131.03517	14.0
143.03497	3.9
149.04550	100.0
150.04845	1.5
159.02983	1.7
161.04556	21.3
173.04517	4.4
191.05598	47.9
191.07335	2.7
192.05887	1.7
209.11757	2.6
225.14807	1.8
227.12903	12.2
233.06642	43.7
267.10828	4.7
273.09235	1.5
284.03149	2.0
293.08737	32.8
311.09814	11.2
375.27426	5.0
431.58057	1.5
447.09329	2.4
493.22958	2.9
519.24115	2.2
520.24603	1.6
537.26111	50.8
537.32941	7.9
538.25806	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	537.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
57.03438	2.1
58.00575	1.5
59.01374	64.5
60.99300	4.5
61.98823	3.3
69.67184	4.6
69.67602	2.2
69.87827	1.0
71.01374	41.7
72.99305	2.9
73.02937	20.3
75.00859	3.5
78.95892	1.6
81.03424	1.1
83.01390	2.3
85.02939	14.1
87.00869	1.3
88.98801	24.2
89.02435	69.0
91.53358	1.1
93.03423	2.3
95.01391	3.6
96.96013	4.8
99.00875	76.8
99.83706	1.1
101.02435	19.1
109.02942	1.8
113.02434	34.3
113.03223	1.7
119.03482	4.4
121.02948	2.4
124.26917	1.0
125.02405	2.5
131.02522	1.5
131.03490	18.5
135.04584	1.3
137.09724	1.1
143.03465	3.4
149.04538	100.0
151.00317	3.2
153.01901	1.7
155.03506	1.9
161.04544	18.3
173.04515	4.4
187.13330	1.0
191.05591	49.9
192.05980	2.3
203.05597	2.7
206.31474	1.2
229.05159	1.6
230.19405	1.0
233.06619	52.9
255.03061	3.3
271.02405	4.5
272.30295	1.2
285.03860	1.2
293.08755	29.7
294.08865	1.2
300.02664	9.5
301.03506	6.4
311.09830	10.2
375.27518	4.4
417.49377	1.1
424.71588	1.3
433.28049	1.8
447.09378	18.3
451.21802	2.0
493.22647	6.2
537.20966	13.8
537.32715	13.1
538.21228	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	537.1976
Annotation	Tanegoside
Peak:m/z	Relative Intensity
53.97683	0.4
59.01374	3.2
59.64412	0.4
61.98806	1.5
67.68186	0.5
68.99831	0.5
71.01379	2.9
73.02920	1.1
73.52432	0.4
78.95903	0.6
80.91566	0.4
85.02934	1.3
88.98794	0.7
89.02439	2.2
93.03428	0.9
96.95998	8.8
96.96926	0.8
98.95545	0.8
99.00854	1.7
101.02399	1.2
108.02155	1.0
109.02946	23.1
112.09354	0.4
113.02436	1.3
116.92706	0.5
119.03482	0.7
121.02943	2.6
122.03723	1.0
123.00885	1.1
123.04501	1.0
124.01662	0.6
127.56735	0.4
135.04477	0.5
136.01642	12.1
137.02419	1.3
145.02908	1.7
146.03722	3.0
147.04514	1.4
149.02423	1.0
150.03212	1.3
151.02840	0.8
151.03996	13.5
152.56754	0.4
153.05522	1.0
158.03702	0.9
159.04501	1.5
160.05278	1.8
161.02454	0.5
161.04663	0.6
161.06061	3.0
165.05508	1.4
171.04550	0.7
172.05304	3.5
173.04495	1.2
173.05931	0.9
174.03271	0.6
175.03975	6.1
176.04770	5.5
179.07217	0.5
187.04088	0.5
188.04816	0.6
189.05582	5.6
190.06357	4.4
191.05573	2.6
191.07109	7.4
192.06052	0.6
195.06602	1.5
209.11871	0.6
221.06027	0.6
223.07597	1.3
230.28430	0.4
233.06274	0.5
235.07635	0.7
239.07063	3.1
249.05493	1.0
250.06332	1.9
251.07101	2.4
261.05542	1.7
262.06241	1.1
263.07211	0.9
266.05786	1.4
266.09171	0.4
267.06601	40.5
268.06866	2.6
278.05859	0.8
279.06598	7.8
280.06888	0.5
281.08121	1.1
282.08948	36.5
283.09311	2.2
293.08160	1.4
294.08972	5.5
296.10550	1.1
297.11276	100.0
298.11569	5.4
300.10147	0.5
309.11307	2.1
309.90491	0.5
311.09055	0.9
312.09998	13.2
313.10434	0.7
315.12396	1.4
327.12338	67.5
328.12653	4.6
330.10938	0.8
339.12399	1.3
345.13403	47.4
346.13736	3.3
350.67148	0.4
357.13394	10.3
358.13760	0.9
375.14444	71.2
376.14764	5.0
434.27875	0.5
494.90903	0.5
537.19012	5.3
538.19556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35527	1.3
57.03434	2.4
58.00580	2.2
59.01377	60.8
60.99287	1.6
61.98826	25.4
65.08171	1.3
70.75581	1.4
71.01381	46.3
71.62413	2.2
72.99319	2.8
73.02952	8.0
74.02470	1.5
83.01391	3.2
85.02936	15.4
87.00866	5.6
88.98815	3.5
89.02442	54.6
93.03445	6.1
94.41592	1.4
95.01377	4.3
96.00903	3.2
96.96002	10.2
98.95574	1.7
99.00874	3.8
101.02437	29.8
102.02742	1.5
105.47800	1.4
112.56041	1.5
113.02438	23.8
113.03542	4.0
119.03488	17.2
121.02937	5.9
122.03719	10.5
131.03465	2.3
137.02463	1.6
143.03453	4.3
149.02432	51.4
149.04396	2.9
150.03217	80.2
151.03909	2.7
159.03006	2.5
159.56725	1.3
161.04555	18.0
162.03253	2.1
163.03918	1.4
164.04788	14.6
165.05554	81.2
166.05838	2.9
173.04509	5.5
179.05617	21.2
179.07091	3.0
180.04213	5.2
191.05577	14.5
192.05968	1.8
195.06595	46.6
196.06934	1.7
283.09732	3.4
312.09988	14.0
327.12329	100.0
328.12616	7.1
333.15979	1.7
339.12234	7.8
375.14386	3.7
376.60742	1.5
455.58731	1.9
477.23621	2.7
489.17871	10.3
495.24374	1.8
502.20248	4.6
537.19452	39.8
538.20209	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	537.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56005	1.0
58.00576	1.6
59.01375	49.4
61.98822	3.8
66.95652	1.0
69.50220	2.5
69.50628	4.4
71.01378	32.6
71.88126	1.0
72.01729	1.0
72.99297	3.6
73.02936	2.3
83.01372	2.4
85.02939	6.7
87.00871	3.9
88.98798	2.6
89.02441	44.4
89.02991	2.4
93.03435	3.3
95.01392	2.5
96.96011	6.3
99.00866	2.2
101.02440	21.7
108.02193	1.7
109.02921	9.8
111.00933	1.3
113.02446	15.3
119.03493	20.4
121.02952	8.1
122.03757	6.5
123.00913	1.4
123.04514	2.7
131.03477	2.6
133.03004	1.2
135.04529	2.4
136.01643	13.5
137.02420	3.1
143.03497	4.4
143.04997	1.4
146.03702	6.6
147.04533	2.3
149.01236	2.4
149.02429	48.0
149.04503	3.3
150.03217	47.5
150.04242	0.8
150.04468	1.4
151.04028	15.7
159.04524	2.7
160.05269	1.7
161.04549	3.1
161.06026	3.2
163.03998	2.9
163.51970	1.0
164.04767	16.5
165.05554	51.3
166.05908	1.1
171.04535	1.6
172.05312	2.1
173.04507	3.4
173.06003	2.7
175.04001	2.8
176.04774	1.7
179.05573	10.2
179.07129	11.7
180.04237	4.7
187.03976	6.4
188.04752	3.7
190.06366	2.1
191.05582	8.2
191.07068	2.6
193.04988	1.1
195.06612	47.0
196.06976	1.6
201.05501	1.4
202.06343	5.5
203.07104	2.4
235.07581	1.4
251.07037	2.6
256.73276	1.3
263.07056	3.7
267.06696	3.6
269.08438	1.2
278.05887	1.2
278.09418	1.6
279.06555	7.4
280.07416	2.1
282.08875	2.1
283.09491	1.8
291.06577	2.1
293.08203	3.0
294.05328	1.3
294.08923	4.8
295.09698	1.8
297.08069	1.6
297.11322	4.6
308.10635	1.5
309.07803	2.6
309.11258	3.2
312.10074	22.8
313.10229	1.3
323.09259	3.9
324.09952	12.2
327.12332	100.0
328.12711	5.7
330.11118	1.5
339.12326	87.4
340.12634	7.3
345.13388	7.9
357.13400	6.4
375.14484	12.0
380.03906	1.0
447.14020	2.2
455.58734	3.0
477.23248	3.5
495.24625	1.2
519.18768	4.0
520.02307	1.3
537.19537	25.8
538.19794	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	537.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23705	0.6
57.03450	1.0
58.00585	2.1
59.01375	35.2
61.98817	3.0
69.50866	6.2
71.00983	1.6
71.01376	23.7
72.61433	0.7
72.99309	2.5
73.02939	2.0
83.01382	1.1
85.02937	6.3
86.43946	0.8
87.00879	2.1
88.98792	1.9
89.02434	28.5
93.03448	4.7
95.01402	3.5
96.96014	4.3
98.72641	0.8
99.00845	1.2
101.02435	14.7
105.40144	0.7
108.02195	2.3
109.02948	7.2
113.02436	9.8
119.03489	14.9
121.02943	9.1
121.28706	0.8
122.03737	7.3
123.00917	1.5
123.04501	2.2
124.01638	1.6
125.02421	0.9
131.03487	0.8
133.02913	1.3
135.04544	1.1
136.01640	11.1
137.02391	1.0
143.03436	1.8
143.05096	0.8
146.03726	6.9
147.04506	1.6
147.85979	0.7
149.02428	62.2
149.04503	2.9
150.03214	59.2
151.00363	1.0
151.04018	12.4
159.04480	0.9
160.05212	1.0
161.02383	0.7
161.04553	3.9
161.06056	2.5
163.03964	1.0
164.04765	17.3
165.05551	67.8
172.05241	1.4
173.04529	2.7
173.06029	1.4
175.03911	1.4
179.05585	6.7
179.07138	15.7
180.04253	3.9
186.79094	0.8
187.04015	4.8
187.07736	0.8
188.04753	3.0
189.05652	1.0
190.06328	1.4
191.05573	6.9
191.07135	1.4
195.06602	58.1
196.06982	1.1
200.04803	0.9
201.05534	1.2
202.06355	3.5
203.07062	1.4
235.07645	1.2
251.07031	1.6
263.07092	2.7
264.07925	1.1
267.06592	2.9
268.07217	1.0
269.08368	0.9
279.06686	4.3
280.07339	3.3
281.08093	2.2
282.08832	1.5
283.09738	1.8
291.06482	0.9
293.08115	2.6
294.08997	3.9
295.09814	1.7
297.07779	2.2
297.11295	3.1
307.09808	1.1
308.10373	1.3
309.07660	3.1
309.11264	2.2
312.09998	30.9
313.10535	2.0
323.09125	3.8
324.09949	8.9
327.12329	100.0
328.12671	6.6
330.10992	1.4
339.12326	61.8
340.12650	3.2
345.13339	6.0
357.13455	4.6
375.14453	10.0
376.14529	1.2
447.14029	2.5
455.08478	1.2
455.58585	1.3
477.23383	1.8
479.61969	0.9
495.24332	1.0
507.18970	1.0
519.18616	2.4
537.19635	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	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81714	0.6
59.01373	4.3
60.99304	16.3
63.68768	0.5
66.42418	0.5
67.94576	0.5
71.01373	1.5
71.08391	1.2
78.06512	0.6
83.01347	0.8
88.98801	100.0
96.96007	2.2
101.02457	0.8
106.16142	0.6
107.01395	1.3
107.80359	0.6
108.02186	0.9
109.02988	0.8
119.04545	0.5
121.02931	1.0
151.00333	6.9
152.51740	0.5
163.00357	1.7
178.99855	3.2
191.05573	1.0
192.00613	0.7
211.03961	0.7
227.03548	1.2
243.02940	2.7
245.04662	1.1
255.02950	9.2
271.02432	16.4
272.02841	0.7
300.02707	38.0
301.03479	28.5
302.04031	1.4
323.27670	0.6
447.09286	72.5
448.09543	5.1
537.25476	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92594	0.6
55.72520	0.5
56.21881	0.5
59.01376	4.1
60.99303	15.0
68.39251	0.5
69.34614	3.8
69.35022	0.9
71.01385	1.1
72.41362	0.5
83.01366	1.0
88.98798	100.0
89.02460	0.8
93.16611	0.5
96.96001	1.7
101.02453	0.6
107.01407	0.8
109.02965	1.2
113.02469	0.5
121.02943	1.2
151.00351	6.7
163.00316	1.3
173.04573	0.5
178.86267	0.5
178.99815	3.6
191.05434	0.6
211.03883	0.6
211.43472	0.6
227.03365	1.0
227.12813	0.7
239.03181	0.6
243.02847	2.8
245.04466	1.0
254.02092	0.7
255.02925	8.5
271.02444	16.8
272.02924	0.8
281.50812	0.5
283.02426	1.0
300.02725	36.5
301.03488	27.0
302.03922	1.2
316.13104	0.5
369.30103	0.6
447.09256	67.3
448.09702	5.9
537.25500	5.3
537.32922	1.1
561.48499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.8
61.98825	100.0
71.01369	1.2
73.02946	0.5
79.05404	0.2
81.03451	0.3
83.05033	0.4
85.02957	0.5
87.53574	0.2
89.02454	0.8
90.14924	0.2
98.20627	0.7
101.02436	1.1
113.02479	0.7
119.03535	0.4
161.04488	0.3
173.04503	0.3
179.03528	0.2
188.46585	0.2
191.05620	0.3
229.52209	0.3
233.71590	0.2
243.17319	0.3
244.15991	0.2
256.33075	0.3
340.02216	0.2
387.20190	1.2
470.66742	0.3
486.94250	0.3
494.71204	0.2
536.36914	1.7
545.77313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01999	0.3
55.61285	0.3
55.82533	0.3
58.00599	0.4
59.01378	43.6
61.98828	100.0
71.01379	3.2
73.02953	1.0
74.29327	0.4
83.01406	0.6
83.05029	0.4
85.02956	1.1
89.02444	2.3
93.03489	0.8
96.96008	2.7
101.02432	2.0
109.65359	0.4
113.02446	1.8
117.66958	0.3
119.03506	1.1
119.84698	0.4
123.08204	1.0
124.01611	0.3
127.75507	0.3
137.09784	0.4
149.04605	0.7
150.03209	0.7
151.00397	0.6
155.10840	0.4
161.04585	0.8
163.11331	0.8
165.05634	0.8
173.04607	1.2
189.12880	1.7
191.05617	3.1
203.05638	0.5
207.13834	2.0
225.14928	0.8
327.12503	0.5
339.12512	1.3
362.22632	0.4
369.19641	0.5
387.20288	0.9
429.21161	3.6
473.16528	0.5
536.13123	0.4
536.24628	0.4
537.21564	0.4
538.34613	0.3
561.11932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
57.03441	0.4
59.01376	100.0
60.01713	0.5
61.98828	0.6
71.01377	4.6
71.63651	0.2
72.99333	0.3
73.02950	1.5
78.95921	0.2
80.96531	0.2
83.01388	0.9
84.95135	0.2
85.02946	2.6
87.00896	0.4
89.02435	1.3
93.03460	0.6
95.01398	0.4
96.96002	0.5
99.00883	0.7
101.02448	2.7
103.04047	0.2
113.02438	2.2
119.03467	0.2
137.02420	0.3
143.03505	0.3
153.16789	0.1
159.03038	0.2
161.04549	1.9
173.04572	1.1
184.71280	0.2
185.11813	0.3
191.05592	1.1
236.26489	0.2
300.34595	0.2
312.31815	0.2
313.21701	2.0
355.24860	0.3
373.25906	0.8
403.72003	0.2
431.26285	0.3
457.25974	0.6
475.27246	0.2
478.49954	0.2
493.27914	2.4
534.67316	0.2
535.31256	7.9
536.31677	0.7
537.27209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00248	23.5
54.29223	25.3
55.36370	22.5
55.36666	21.8
58.12053	24.5
61.98836	69.6
71.63323	31.0
78.95907	87.5
110.13760	21.6
131.59081	23.9
152.99568	100.0
159.41554	28.7
475.26944	35.1
535.26868	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54319	0.8
55.01858	2.0
57.03438	2.0
59.01375	100.0
61.81691	0.8
61.98825	9.2
68.99544	1.0
69.03460	1.6
69.40103	2.2
69.40508	5.4
71.01381	20.7
72.99290	1.6
73.02953	7.3
78.95908	0.9
79.95733	1.7
80.96514	2.9
83.01379	5.1
83.05011	1.1
85.02950	13.1
87.00858	2.9
89.02438	6.0
93.03439	3.9
95.01386	2.3
95.74088	0.9
96.95986	3.5
97.02948	2.2
98.19800	1.8
99.00859	2.3
101.02425	15.8
111.00869	1.7
112.98570	1.0
113.02455	10.8
115.04030	1.0
116.92798	1.3
117.05554	1.5
119.03472	1.9
121.02943	2.1
125.02419	2.5
125.31045	0.9
135.04425	1.6
137.02419	1.1
143.03493	2.2
161.04547	5.6
173.04535	6.4
179.03354	1.3
191.05592	7.7
221.11710	6.3
239.12859	4.1
261.58966	0.9
287.22250	3.0
331.24908	1.7
402.90686	0.9
413.25662	1.4
431.26450	38.5
432.26929	1.8
449.27457	15.8
450.27924	1.2
473.20096	1.8
475.22589	1.0
475.29126	11.8
493.29745	3.0
535.30139	6.3
536.31604	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	535.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28030	0.4
53.41825	0.4
59.01361	1.2
61.20855	0.3
61.98822	0.8
64.30542	0.4
64.35001	0.4
65.07384	0.4
65.07745	0.3
71.25588	0.4
78.95898	70.1
87.30320	0.5
96.96005	0.9
96.96960	7.6
98.20607	1.3
123.13301	0.4
125.68337	0.5
138.23711	0.4
145.07312	0.4
150.98027	1.8
152.99573	100.0
153.99892	1.2
171.00624	4.0
277.17996	1.4
279.19620	0.7
295.19098	1.7
309.20724	1.7
373.27307	0.4
449.19379	7.8
450.19757	0.6
488.03027	0.4
535.26709	23.5
536.26917	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	535.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
59.01374	10.9
61.98829	8.1
71.01373	2.2
71.63213	2.1
74.99571	1.2
78.95898	31.0
80.02686	1.4
81.03465	3.4
83.01395	3.7
83.05010	3.6
85.02929	1.4
87.48827	1.4
93.03432	2.5
95.05022	1.4
96.95995	2.2
97.02935	2.3
97.06568	6.0
97.65234	1.2
104.05233	1.2
109.06606	2.0
115.31409	1.4
119.08687	1.5
121.06574	2.0
123.04517	3.8
123.08164	3.3
125.09724	8.5
135.08156	2.5
137.09682	4.5
137.99570	1.3
141.12871	1.5
149.06102	2.1
149.09624	1.4
151.11203	2.5
152.99573	39.0
163.07645	1.4
163.11285	11.4
165.12848	2.9
171.00604	4.5
173.04518	2.6
175.33221	1.6
181.12317	3.0
185.11810	8.7
191.05551	3.3
191.10742	2.9
191.14394	7.1
207.10185	4.4
209.11816	35.4
211.13466	2.0
225.11295	4.0
245.04277	5.5
245.19080	11.9
263.20102	2.2
271.16898	1.7
289.18042	43.5
290.18430	2.7
292.53607	1.5
307.19128	44.1
308.19345	2.5
535.23029	100.0
536.23291	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	535.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29120	1.3
52.27723	1.0
55.01860	2.4
57.03430	2.0
58.00600	1.3
59.01376	100.0
60.99287	1.4
61.98829	8.0
69.03450	1.2
71.01377	49.9
71.63131	1.2
72.99277	2.5
73.02941	29.9
74.02534	1.1
83.01377	6.1
85.02951	13.9
87.00887	3.5
88.98792	1.8
89.02440	45.6
93.03454	4.7
95.01388	3.0
96.96004	17.3
97.02949	3.0
98.95565	1.7
99.00873	77.7
101.02434	22.7
109.02900	1.1
113.02441	20.8
118.98055	1.4
119.03502	7.1
125.02431	5.7
127.16184	1.2
131.03494	12.8
135.04581	1.5
143.03490	5.4
143.04538	1.5
149.04544	43.3
155.03468	4.7
161.04544	13.4
173.04515	7.1
175.02480	1.3
179.05585	3.2
191.05597	47.6
200.07545	1.1
203.05579	16.3
204.06041	1.2
209.11809	6.3
221.06583	2.0
227.12854	1.3
233.06602	8.2
236.55687	1.1
251.16656	1.2
265.66348	1.3
280.66217	1.2
306.07544	1.4
306.29147	1.2
313.10806	1.4
334.25299	1.1
361.18472	3.1
373.12958	2.8
431.22815	3.7
449.19873	6.7
491.21008	13.5
493.22800	3.4
535.23981	7.7
535.31610	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	535.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63599	1.5
57.80486	1.4
59.01373	5.1
63.02015	1.4
65.73999	1.3
65.91451	1.4
67.87174	1.3
71.01365	3.6
71.62460	2.2
83.01381	5.9
83.11926	1.4
85.02964	1.6
87.00874	2.2
89.02452	1.9
93.03424	2.2
95.01408	1.6
96.96007	23.9
99.00877	7.8
101.02432	1.9
109.02937	9.9
115.00364	5.0
121.02909	2.3
121.06590	4.1
129.05582	4.3
133.02904	3.1
135.04524	4.0
141.80505	1.4
144.40414	1.2
145.02936	3.3
147.04517	4.1
148.05280	3.3
149.06075	100.0
150.06387	2.8
159.04568	1.7
161.02440	9.9
161.06006	2.1
163.03998	5.9
165.05499	5.6
167.36343	1.4
173.04578	3.6
173.06030	1.3
174.03218	2.1
175.03955	17.8
177.01933	14.5
187.04051	1.7
189.05486	2.5
191.03470	3.7
191.05516	4.8
193.05032	18.0
203.07057	2.1
206.02170	1.5
219.02969	40.6
231.06671	2.6
233.04544	11.9
237.04024	60.6
238.04305	2.9
259.02490	3.0
275.05774	1.7
277.03455	7.2
293.06454	2.6
319.04550	6.5
337.05618	77.0
338.05859	2.5
381.08163	5.0
399.09384	6.8
439.08569	2.3
440.39255	1.6
454.08279	6.0
454.58038	1.7
470.47034	1.5
481.09808	13.6
499.10931	71.3
500.11261	5.1
535.08881	4.8
535.25317	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	533.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56125	1.0
57.03448	3.2
58.00580	1.1
59.01375	84.1
61.98820	5.3
62.16595	0.8
67.01893	5.0
69.03474	2.9
70.99907	2.3
71.01376	42.1
72.21071	0.9
72.99302	3.2
73.02941	34.3
80.70017	1.1
81.03439	1.9
83.01397	4.2
83.05025	1.9
85.02943	9.9
87.00902	2.6
89.02436	33.4
93.03445	31.2
95.01378	2.1
96.96001	1.4
97.02969	1.4
99.00874	89.1
100.01199	1.4
101.02438	18.3
109.02956	1.2
111.00894	1.2
111.04512	5.1
113.02436	16.3
117.07090	1.2
119.03507	7.0
125.02450	6.1
131.03505	12.4
137.02434	5.9
142.11664	1.0
143.03502	5.0
149.04544	32.4
149.95296	0.9
155.03484	7.6
161.04552	9.2
166.19662	1.1
173.04533	100.0
174.04893	1.5
191.05598	44.5
197.06157	1.7
203.05583	18.8
233.06647	5.4
237.14987	3.4
264.51001	1.0
313.23941	1.4
359.28012	28.6
360.28397	1.6
447.22278	7.6
489.23138	29.9
490.23920	2.1
533.20959	2.2
533.33502	35.0
534.33942	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	533.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33107	0.6
55.01858	0.7
57.03454	3.1
59.01374	30.4
61.98825	5.2
63.43477	0.7
69.91547	1.3
69.91957	2.4
71.01374	16.6
71.04993	0.6
73.02935	2.8
79.06483	0.6
79.15292	0.6
83.01362	2.2
83.05001	1.3
83.64515	0.6
84.95723	0.6
85.02933	5.0
87.00861	6.5
89.02439	14.6
89.31261	0.7
89.47704	0.6
92.17503	0.6
93.03452	1.3
94.82613	0.6
95.01399	1.4
96.95988	2.4
97.06574	1.8
99.00847	1.1
101.02425	13.0
105.07081	0.8
107.05013	7.2
108.72652	0.6
111.00856	0.7
113.02425	7.9
119.03482	4.8
120.05759	1.9
121.05059	7.9
135.04486	2.6
135.08185	0.6
135.11827	0.8
137.02409	0.6
138.57004	0.7
142.43117	0.6
143.03479	0.8
152.04744	1.2
159.08130	1.5
161.04520	3.3
161.09708	10.9
161.13359	4.7
163.11313	3.7
173.04465	1.1
179.05609	1.5
179.10760	0.8
186.86185	0.6
187.11263	11.7
189.09201	9.3
191.05540	2.5
199.21213	0.6
203.10745	1.3
205.12285	7.6
207.10233	5.0
210.01840	0.6
223.13370	1.1
231.10246	0.9
249.11288	6.9
267.12311	1.8
274.44547	0.6
283.10263	11.9
284.10477	0.7
327.02774	0.7
389.14569	0.8
473.27417	2.1
515.21259	1.9
533.22314	100.0
534.22528	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34166	0.3
53.47602	0.3
57.03437	0.6
59.01381	1.6
61.12442	0.4
67.01886	0.4
71.01382	1.2
71.21543	0.5
71.21870	0.5
73.02942	0.4
74.53048	0.3
85.02943	7.2
87.00871	3.4
93.03439	2.7
99.04545	0.5
109.02921	0.7
111.04500	1.0
127.04020	2.2
129.01932	1.4
142.75937	0.3
147.02959	1.2
148.94943	1.1
173.04535	0.8
190.95973	1.0
191.05600	100.0
192.06004	2.1
211.46927	0.4
276.79364	0.4
290.64789	0.3
300.55502	0.3
338.31088	0.3
464.86292	0.4
539.72510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38125	0.2
57.03449	0.7
59.01358	1.6
59.73009	0.2
67.01875	0.3
69.73822	1.3
69.74228	0.5
71.01380	1.0
73.02940	0.7
83.05043	0.2
85.02943	8.8
85.36916	0.2
87.00871	2.9
93.03442	2.5
99.00877	0.6
101.02422	0.2
109.02957	0.5
111.04515	1.1
116.95840	0.2
117.01916	0.8
127.04002	1.9
129.01929	1.5
139.58624	0.2
140.10864	0.3
147.02980	1.0
171.03038	0.6
173.04527	1.0
191.05597	100.0
192.05962	2.0
236.11087	0.3
313.39038	0.3
378.33347	0.3
429.87674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67023	0.8
55.01865	1.0
56.39153	0.8
57.03439	4.4
58.00600	0.9
59.01377	41.7
61.98822	2.6
71.00989	1.3
71.01378	20.1
71.63496	1.7
72.99327	1.4
73.02944	4.7
81.46356	0.8
82.95409	1.1
83.01385	1.5
83.05021	3.0
84.95078	0.8
84.97826	0.8
85.02940	6.5
87.00880	5.8
89.02438	17.0
93.03456	1.9
95.01392	1.9
96.95999	9.9
97.06580	2.7
98.95607	4.3
98.96445	0.8
99.00881	1.3
101.02444	14.5
107.05019	7.1
109.06621	0.9
111.04559	0.9
113.02457	7.1
116.92806	1.0
119.03508	6.8
119.05011	1.1
120.05822	3.1
121.02975	2.9
121.05070	9.6
135.04532	2.6
141.05624	1.6
143.03496	1.9
145.02942	2.2
145.10242	1.0
147.04555	2.4
148.05321	1.8
152.04747	1.7
157.06618	1.3
161.04579	4.8
161.09723	13.0
161.13364	4.9
163.11292	3.1
171.08160	1.2
173.04530	3.2
176.04817	1.6
178.99832	1.1
179.05627	2.7
179.10814	1.1
187.11273	16.1
189.09181	7.4
191.03531	3.5
191.05563	2.5
191.07104	5.4
192.07526	0.8
203.10732	1.4
205.12312	8.7
207.08372	1.5
207.10300	5.8
209.06122	1.0
209.11751	4.3
220.03615	1.2
222.06956	1.0
223.07654	2.1
223.13455	1.1
231.10320	1.1
235.07703	0.9
238.04793	1.2
239.07169	2.5
241.20299	0.8
249.05559	1.7
249.11299	8.9
250.06187	1.5
251.07178	5.0
253.09068	1.8
263.07178	2.9
264.07990	2.1
265.04880	0.9
265.08975	1.1
266.05884	4.1
267.06625	11.3
267.12448	2.4
277.05154	1.7
278.05859	1.0
279.06573	9.5
281.08264	3.1
282.08905	6.7
283.10333	13.5
294.05432	7.3
294.09009	3.5
295.06076	2.4
297.11417	2.4
307.06244	1.6
309.07608	10.6
310.08301	1.4
311.05591	0.9
321.07428	1.1
322.08481	3.0
323.05664	7.0
323.09137	1.8
325.07153	1.4
326.08017	3.8
327.12326	1.3
337.07501	1.4
338.07922	14.8
339.08786	1.0
340.09708	1.3
341.10251	30.9
342.10693	2.2
350.90247	0.8
353.10278	39.4
354.10614	1.9
371.11310	38.0
372.11856	2.5
503.15875	1.4
515.21857	1.7
533.22540	100.0
534.16345	0.9
534.22931	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	533.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40602	0.9
59.01091	1.9
59.01372	29.6
61.98819	1.4
71.01376	10.4
71.63139	1.4
73.02950	2.3
82.95421	7.1
83.01363	1.5
84.95108	54.5
85.02937	3.0
87.00858	2.5
89.02449	7.2
93.03431	2.6
95.01295	0.9
96.96016	2.1
101.02414	5.1
101.37840	1.1
102.60249	1.1
107.01385	1.9
108.21729	1.1
113.02425	4.4
119.03483	1.8
137.02330	1.0
145.02916	1.5
151.00334	3.7
161.04503	3.8
161.09695	1.2
163.00264	1.6
173.04527	7.7
179.05556	2.4
191.05554	2.9
196.35896	1.1
211.03966	2.0
227.03481	24.2
229.04979	4.1
255.02953	62.7
256.03513	3.9
257.04532	2.7
283.02200	1.3
284.03226	100.0
285.03958	31.8
286.04324	1.7
300.02744	1.3
387.10632	1.4
447.09320	5.1
473.27985	2.2
489.10321	76.2
490.10486	5.9
502.13120	1.0
533.22278	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	533.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28275	0.7
59.01379	7.0
61.98825	2.3
63.25464	0.7
69.41884	5.7
73.02925	0.7
80.72336	0.7
83.01405	1.0
83.50360	0.8
84.95110	0.9
85.02950	1.1
88.90583	0.8
89.02422	1.8
91.01874	0.8
93.03432	2.1
96.96011	2.3
101.02426	1.6
107.01370	2.1
113.02443	1.2
119.03533	0.9
132.02139	1.8
135.00858	2.2
151.00391	1.9
159.04504	1.4
163.00319	2.1
169.06570	0.7
173.04539	1.9
178.99759	0.9
185.06026	1.9
187.04004	2.4
189.05557	0.9
190.99857	1.1
191.05588	2.3
195.04373	1.2
199.03877	1.7
201.05449	1.2
209.11699	1.4
211.03911	2.6
213.05515	1.6
227.03499	24.9
228.03761	1.1
229.05058	8.3
239.03484	1.6
240.04378	1.0
241.05084	1.5
255.02975	56.3
256.03595	4.9
257.04553	5.9
267.02902	1.0
283.02505	1.3
284.03244	78.7
285.04013	100.0
286.04385	5.0
306.10474	0.8
327.05072	0.8
489.10345	55.7
490.10617	4.1
533.22198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56184	0.2
55.01877	0.2
57.03445	0.6
57.05347	0.2
57.77998	0.2
59.01373	6.2
61.98817	0.6
69.54346	0.5
69.54754	0.6
71.01374	3.6
72.99319	0.2
73.02933	0.5
78.95892	0.5
83.01369	0.5
85.02931	0.9
87.00867	0.6
89.02434	4.0
93.03454	0.3
95.01395	0.4
96.96031	0.3
97.02972	0.2
97.06622	0.2
99.00868	0.4
99.08096	0.2
101.02438	4.6
113.02433	1.9
113.09725	1.6
117.64526	0.2
119.03465	1.4
125.02467	0.2
133.02893	0.4
143.03513	0.4
152.99571	0.5
161.04544	1.8
173.04492	0.3
177.12827	0.2
178.02789	0.2
179.05635	0.8
179.14392	0.8
181.12311	0.4
182.49121	0.2
191.05592	0.3
195.13881	14.1
196.14163	0.4
248.61179	0.2
251.23648	0.3
253.09256	22.7
254.09630	0.6
259.20535	0.3
277.21686	13.4
278.21988	0.5
280.57867	0.2
293.21161	0.3
294.21481	0.2
295.22739	100.0
296.23071	5.5
306.07361	0.5
368.00998	0.2
469.57782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
58.00582	0.9
59.01376	100.0
59.72472	0.8
60.01702	0.9
61.98825	6.2
67.01888	3.0
69.03448	1.0
71.01376	26.0
71.63713	1.1
72.99316	2.0
73.02939	11.9
73.74175	1.0
78.78674	0.9
78.95879	1.9
82.95406	2.3
83.01393	3.9
83.05012	1.2
85.02945	10.8
87.00878	5.1
89.02440	12.9
92.97548	0.8
93.03445	10.4
96.61916	0.8
96.95998	9.3
97.02958	1.6
99.00893	2.6
101.02435	18.9
111.00869	3.2
111.04533	1.9
113.02441	10.3
115.03999	1.3
119.03475	6.7
123.08095	0.8
125.02457	1.3
131.03502	1.0
134.03723	1.4
135.04477	3.1
137.02451	1.4
140.86758	1.0
143.03502	2.2
149.04523	1.2
152.99554	1.1
155.03490	1.2
161.04451	6.1
162.03058	1.1
171.10210	1.2
173.04529	21.1
179.03510	1.6
179.05597	1.1
191.05595	14.1
191.07135	1.5
208.04559	0.8
242.02202	2.4
267.15985	4.8
270.01709	1.8
275.09314	0.9
291.19617	2.0
303.22018	0.9
309.20779	2.1
327.21710	1.6
363.17871	1.0
374.06131	3.3
379.25327	0.9
381.26361	0.9
384.08350	1.3
411.20093	15.7
411.25262	1.2
412.20721	1.1
429.21155	13.7
445.24792	1.1
449.14841	2.6
471.12238	1.0
471.21872	11.8
472.22165	1.0
487.25375	7.5
489.26794	2.0
490.29520	1.0
531.14777	5.2
531.28271	40.6
532.28766	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	531.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03446	5.6
59.01376	100.0
61.01775	0.9
61.98823	13.2
66.91312	1.0
67.01884	2.0
69.03438	1.1
69.33116	5.5
69.33532	1.7
71.01375	34.7
71.05004	1.1
72.99299	2.1
73.02941	16.2
74.22089	0.8
82.95428	1.0
83.01382	4.6
83.05012	2.1
85.02946	14.5
87.00859	8.6
87.04523	0.9
89.02438	14.2
93.03451	11.2
95.01365	2.9
96.96013	7.2
97.02952	1.5
97.06584	2.9
99.00878	4.7
99.04478	1.1
101.02437	24.5
107.05000	7.3
111.00863	1.9
111.04491	1.6
113.02440	11.3
115.04016	0.9
117.03455	3.5
119.03501	4.8
119.04998	2.0
119.07140	2.9
120.05816	1.9
125.02461	1.0
129.01988	0.9
131.03476	1.5
134.03708	1.2
135.04514	5.0
135.11774	1.2
141.05540	1.4
143.03526	1.8
145.02948	14.1
149.04628	1.2
152.04742	1.4
155.03476	0.9
157.06604	1.0
161.04567	6.0
161.09709	14.8
161.13342	5.8
163.03966	3.0
163.11281	2.3
173.04541	17.2
174.04927	1.9
179.03540	1.2
179.05536	1.7
179.10793	1.5
187.09773	1.1
187.11298	14.8
189.09190	9.4
191.05609	15.4
194.98280	2.9
203.10703	1.5
205.12314	9.2
207.10193	3.7
229.01315	1.0
249.11296	6.2
267.12244	1.8
281.12415	11.5
283.15607	1.3
309.20694	3.9
374.05798	1.1
379.92590	0.9
387.16479	1.1
408.75912	0.8
449.14432	2.9
462.62460	0.9
466.06512	1.1
468.15933	1.3
471.25681	3.7
487.25595	1.0
489.26614	4.0
499.05066	0.8
513.26666	3.2
531.24548	71.1
531.27148	70.9
532.23389	5.8
545.87616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01374	3.7
61.98813	1.1
65.03999	0.4
67.05521	0.6
70.53776	0.4
71.01364	0.4
71.05019	0.7
78.95898	20.1
83.05015	1.2
84.94098	0.4
85.02917	0.5
86.96388	0.5
93.03443	2.2
95.05022	1.3
96.96055	0.5
96.96943	1.4
97.06564	1.8
107.05029	0.6
109.06583	0.8
111.08163	2.0
111.19081	0.4
113.09745	0.6
116.14141	0.5
121.10201	0.5
122.98524	11.6
123.08144	0.7
124.04339	0.4
125.09696	2.9
135.08104	0.5
137.09688	0.6
149.09706	1.2
151.01538	0.4
152.99567	8.1
159.11795	1.3
168.04347	2.9
173.04553	0.6
175.11272	0.9
177.12833	13.1
178.13168	0.5
179.10764	0.6
179.14412	1.6
182.05901	0.5
191.05606	1.0
195.13789	1.1
203.14407	4.0
205.15964	1.7
205.29930	0.4
224.06897	2.0
229.19521	1.3
229.58917	0.7
231.17508	2.4
242.08012	5.1
261.22354	0.5
273.18561	11.8
274.19040	0.6
287.20197	0.8
291.19672	3.9
305.21179	100.0
306.21542	6.3
471.21460	3.1
530.28815	22.7
531.29089	2.4
544.14282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01371	6.2
60.99316	0.5
61.98824	4.2
67.01882	4.6
69.03457	1.4
70.76778	0.7
70.77132	0.8
71.01373	5.1
71.05022	2.2
73.02940	0.8
80.96513	0.8
81.03450	6.1
82.03796	0.5
82.96079	0.3
83.01403	0.5
83.05019	28.6
84.05374	0.6
85.02954	2.6
86.02479	1.3
87.00882	1.5
89.02432	0.8
93.03451	28.8
96.96008	2.3
98.34949	0.4
99.00882	0.8
101.02444	1.4
101.06068	3.1
109.02944	1.4
111.00908	0.8
111.04513	5.8
112.35764	0.3
113.02446	1.0
113.06084	0.9
114.09245	1.0
119.03497	0.7
127.03997	1.9
131.07185	0.4
137.02415	4.0
137.82402	0.4
142.08714	1.9
143.01028	0.3
143.03568	0.5
143.10770	3.1
144.10313	0.7
145.03004	0.4
145.05054	8.4
147.04491	0.7
151.07652	0.4
155.03491	4.7
157.08679	0.8
159.04503	0.8
164.10693	0.5
164.98474	0.5
173.04527	100.0
174.03508	0.4
174.04886	2.1
179.05510	0.4
185.11766	1.2
187.07559	0.5
188.09265	6.2
191.05580	9.7
192.05850	0.8
197.11812	0.8
215.12834	1.0
228.16055	0.4
229.01277	1.0
242.13934	2.1
264.15741	0.4
267.06592	1.1
270.67136	0.3
295.06104	0.8
308.18665	1.1
338.19681	3.2
339.05124	3.2
356.20755	23.3
357.21085	1.1
444.12033	0.4
449.14368	1.2
470.24594	0.9
488.24985	0.4
509.56024	0.4
513.16510	0.6
530.10040	0.7
530.17694	2.3
530.25934	22.2
531.10803	0.6
531.18176	0.8
531.26282	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	529.3014
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03428	3.6
59.01140	0.9
59.01381	11.9
59.36930	0.8
61.98811	1.4
62.62870	0.8
69.03444	2.1
71.01372	17.3
71.63498	1.1
71.63903	1.0
72.99286	3.7
73.02928	1.6
75.00864	17.2
78.95885	3.6
83.01367	1.7
84.26708	0.8
85.02937	20.8
87.00873	7.5
89.02438	3.6
94.32410	1.1
95.01392	5.5
96.96024	1.0
99.00867	11.9
103.00352	2.6
111.00869	2.2
113.02435	31.2
115.00337	1.5
119.15788	0.8
124.62025	0.8
129.01964	1.8
131.03455	1.8
152.99559	3.9
157.01381	1.4
158.42102	0.9
173.04543	1.0
175.02466	2.0
181.63350	0.9
182.68944	0.9
191.05574	1.7
205.07126	1.8
212.98750	0.8
223.08055	1.4
249.06151	13.8
255.23245	8.7
267.07224	5.9
277.21631	2.4
279.23248	71.4
280.23544	3.7
286.86975	1.0
308.51724	0.9
434.56934	0.9
480.30984	5.7
511.28967	1.4
520.52423	0.9
529.30139	100.0
530.30225	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64062	0.2
57.03444	0.4
58.00605	0.4
59.01372	7.5
62.01480	0.2
69.03428	0.2
70.58090	0.4
70.58463	0.3
71.01378	5.2
73.02948	0.8
83.01396	0.7
83.04964	0.2
85.02956	1.4
87.00878	0.6
87.55408	0.2
89.02436	4.8
91.04008	0.3
95.01382	0.3
95.05035	0.2
99.04507	0.2
101.01765	0.4
101.02437	5.9
111.08159	0.3
113.02435	2.3
113.09708	0.2
115.48980	0.2
119.03503	1.1
131.03473	0.3
143.03503	0.6
161.04538	2.9
167.10765	0.4
173.04475	0.2
177.12823	0.4
179.05643	1.0
179.14438	0.7
181.12308	0.2
195.13875	8.6
196.14558	1.1
205.12297	0.5
205.15758	0.2
211.13332	0.5
223.13362	6.3
228.13599	0.5
231.21198	0.3
253.09256	30.2
254.09607	0.8
256.13165	1.1
265.21674	0.3
275.20114	5.5
276.20367	0.3
293.21194	100.0
294.21539	6.1
298.41074	0.2
323.01129	0.2
492.21979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.62817	0.4
57.03437	0.7
58.00568	0.5
59.01376	16.5
61.98819	0.6
69.03442	0.5
69.90311	1.2
69.90726	0.8
71.01379	9.1
71.05019	2.5
72.99257	0.5
73.02941	2.0
78.95885	1.6
83.01368	1.3
83.05019	0.6
85.02918	2.1
87.00873	1.2
89.02441	8.7
93.03430	0.5
95.01357	0.7
96.44233	0.4
96.95983	0.5
97.06564	0.5
98.19868	0.7
98.33276	0.3
101.02439	9.5
113.02441	4.4
119.03489	2.5
122.98550	2.2
122.99246	0.4
123.08111	0.3
133.04948	0.5
134.03708	0.9
135.04497	0.6
135.11784	1.0
143.03482	0.9
152.99597	1.6
157.08659	2.4
161.04533	3.7
173.04517	0.6
179.05576	1.6
191.05528	1.0
191.18018	0.6
209.15436	0.6
217.15979	0.5
221.15436	0.6
231.21126	2.2
235.08195	1.5
235.17004	46.1
236.17329	2.4
253.09262	41.4
254.09520	0.9
269.72427	0.4
273.18289	0.4
275.20126	65.8
276.20459	3.9
291.19705	0.6
293.21204	100.0
294.21548	5.3
305.21207	3.8
355.15396	0.9
392.21976	0.4
431.27396	0.4
447.09238	0.5
469.31317	0.6
471.21387	0.7
530.28894	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	529.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90272	0.2
55.01872	0.6
57.03439	0.5
58.00589	0.7
59.01374	89.0
60.01711	0.7
61.98823	2.1
62.83596	0.2
63.02406	0.2
66.09250	0.2
67.01891	0.3
69.03454	0.7
69.70712	0.5
69.71130	0.8
71.01376	16.5
71.05021	0.2
72.99303	0.8
73.02941	17.1
75.00880	0.4
78.95924	0.4
79.95745	0.5
80.96517	0.7
81.03424	0.3
82.95410	0.2
83.01382	5.3
83.05041	0.4
85.02935	3.3
87.00873	1.2
89.02444	5.2
93.03451	1.6
94.59185	0.2
94.98040	0.2
95.01381	0.9
96.96004	5.1
97.02911	0.5
98.95600	0.2
99.00877	0.8
101.02435	14.0
103.03992	0.5
107.01375	0.6
107.08665	0.3
107.53384	0.2
111.04494	0.4
113.02435	4.9
119.03512	1.8
124.01653	0.3
125.02409	0.7
127.04000	0.4
129.01973	0.2
131.03476	0.9
133.10187	0.4
134.03790	0.3
135.04494	0.6
137.02490	0.3
138.35265	0.2
143.03467	0.9
147.11702	0.3
149.04539	0.6
151.00377	2.6
152.01144	0.8
155.03468	0.4
161.02451	0.3
161.04530	1.6
169.01410	0.5
171.35703	0.2
173.04549	3.0
173.13275	0.2
174.04817	0.3
175.04030	0.2
176.01111	0.5
178.99826	1.6
179.03453	0.3
179.05524	0.4
191.03503	0.8
191.05594	3.5
192.05859	0.4
215.07059	0.3
225.00705	0.2
227.18011	0.3
247.16882	0.2
253.05045	0.3
271.16937	0.4
289.18057	1.6
291.06699	0.3
300.02661	0.2
307.19116	6.6
308.19443	0.3
309.20724	1.1
312.24548	0.2
325.20438	0.3
333.07428	0.3
337.07080	0.3
353.06552	4.7
361.07147	0.7
365.06476	0.8
379.08282	0.9
396.08600	0.2
397.09210	0.3
439.23257	0.3
451.23495	0.2
467.15359	0.4
469.24368	2.5
487.25323	2.3
511.18646	0.4
511.25391	4.3
512.25916	0.6
529.13300	5.3
529.26471	100.0
530.13898	0.5
530.26813	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	529.2649
Annotation	Pharboside E
Peak:m/z	Relative Intensity
53.90272	0.2
55.01872	0.6
57.03439	0.5
58.00589	0.7
59.01374	89.0
60.01711	0.7
61.98823	2.1
62.83596	0.2
63.02406	0.2
66.09250	0.2
67.01891	0.3
69.03454	0.7
69.70712	0.5
69.71130	0.8
71.01376	16.5
71.05021	0.2
72.99303	0.8
73.02941	17.1
75.00880	0.4
78.95924	0.4
79.95745	0.5
80.96517	0.7
81.03424	0.3
82.95410	0.2
83.01382	5.3
83.05041	0.4
85.02935	3.3
87.00873	1.2
89.02444	5.2
93.03451	1.6
94.59185	0.2
94.98040	0.2
95.01381	0.9
96.96004	5.1
97.02911	0.5
98.95600	0.2
99.00877	0.8
101.02435	14.0
103.03992	0.5
107.01375	0.6
107.08665	0.3
107.53384	0.2
111.04494	0.4
113.02435	4.9
119.03512	1.8
124.01653	0.3
125.02409	0.7
127.04000	0.4
129.01973	0.2
131.03476	0.9
133.10187	0.4
134.03790	0.3
135.04494	0.6
137.02490	0.3
138.35265	0.2
143.03467	0.9
147.11702	0.3
149.04539	0.6
151.00377	2.6
152.01144	0.8
155.03468	0.4
161.02451	0.3
161.04530	1.6
169.01410	0.5
171.35703	0.2
173.04549	3.0
173.13275	0.2
174.04817	0.3
175.04030	0.2
176.01111	0.5
178.99826	1.6
179.03453	0.3
179.05524	0.4
191.03503	0.8
191.05594	3.5
192.05859	0.4
215.07059	0.3
225.00705	0.2
227.18011	0.3
247.16882	0.2
253.05045	0.3
271.16937	0.4
289.18057	1.6
291.06699	0.3
300.02661	0.2
307.19116	6.6
308.19443	0.3
309.20724	1.1
312.24548	0.2
325.20438	0.3
333.07428	0.3
337.07080	0.3
353.06552	4.7
361.07147	0.7
365.06476	0.8
379.08282	0.9
396.08600	0.2
397.09210	0.3
439.23257	0.3
451.23495	0.2
467.15359	0.4
469.24368	2.5
487.25323	2.3
511.18646	0.4
511.25391	4.3
512.25916	0.6
529.13300	5.3
529.26471	100.0
530.13898	0.5
530.26813	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	529.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10528	0.4
58.00580	0.5
59.01374	0.9
62.73759	0.4
63.74948	0.4
67.01886	7.5
71.62287	0.7
73.02952	0.5
78.95931	0.6
81.03437	1.0
85.02962	0.7
87.00896	0.4
88.38658	0.4
89.02421	0.8
93.03438	0.7
96.96009	2.7
96.96957	0.5
99.04507	3.2
105.64482	0.4
107.66573	0.4
108.02143	0.6
111.00873	100.0
112.01211	1.2
115.03990	1.7
134.04614	0.5
143.03490	54.1
144.03853	0.8
154.99898	0.7
160.03993	0.4
187.02452	3.0
187.06067	0.7
187.10884	0.7
191.01860	0.8
191.05556	1.0
341.10809	0.5
529.15491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85909	0.3
58.00576	0.6
59.01347	0.6
67.01884	9.7
70.99226	0.7
72.02489	0.3
73.02927	0.4
80.64567	0.3
81.03439	1.0
83.01393	0.4
86.39282	0.3
93.03413	0.2
97.94877	0.3
99.04510	4.2
99.52248	0.3
101.02490	0.3
111.00872	100.0
112.01187	1.3
115.03994	1.5
134.78468	0.3
139.33385	0.3
143.03488	52.5
143.38739	0.3
144.03807	1.2
151.20929	0.3
154.99844	1.0
187.02428	1.9
191.05545	0.6
305.87109	0.3
341.10495	0.5
405.72849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1557
Annotation	Pikuroside
Peak:m/z	Relative Intensity
57.03435	1.0
58.35617	0.4
59.01379	4.0
60.99301	2.5
61.98825	1.4
63.84148	0.5
64.74759	0.5
65.39124	0.5
67.01884	7.3
69.03449	2.1
70.82012	0.5
71.01374	3.6
71.62379	0.7
72.99304	0.5
73.02945	0.4
78.95916	1.4
79.24339	0.5
79.95760	0.7
81.03458	1.6
83.05013	1.8
84.93716	0.4
85.02943	6.1
87.00865	11.7
89.02416	0.6
93.03451	62.0
96.96001	18.8
96.96925	2.4
98.95621	0.5
99.00860	1.2
99.04510	0.8
101.02444	1.2
109.02928	1.7
111.00879	0.5
111.04506	8.1
113.02423	0.7
115.04031	0.5
121.02952	0.9
127.03996	1.3
129.01936	1.4
133.02942	0.6
134.03726	15.9
135.04535	0.9
137.02467	3.0
141.01721	1.2
149.06056	4.9
149.07108	0.7
153.01822	0.5
155.03476	1.9
160.01672	0.7
165.52943	0.5
169.56047	0.6
173.04529	19.4
175.03995	1.1
177.01961	0.6
178.02722	8.0
178.71043	0.5
179.03468	0.7
190.16515	0.4
191.05588	100.0
192.05896	2.0
193.05037	19.1
249.05403	0.6
265.05066	1.1
267.06567	1.3
281.10242	0.7
293.04507	1.1
311.05527	1.3
319.02481	0.9
337.03424	1.4
367.10297	19.2
368.10715	1.3
409.11499	2.4
529.15582	87.4
530.15839	4.8
556.60254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00663	0.5
55.01876	0.9
57.03447	4.4
58.00581	1.0
59.01375	53.0
60.56495	0.6
61.98821	7.6
63.02399	7.2
65.00319	8.0
67.01888	1.4
69.03464	1.4
71.01378	14.7
71.05042	0.8
71.63631	0.7
72.01661	0.5
72.99269	0.7
73.02942	12.1
76.60762	0.6
79.95747	1.3
80.96520	3.9
80.96928	0.5
81.03458	1.4
83.01381	11.3
83.05045	0.8
85.02946	6.1
87.00873	1.9
89.02428	5.9
93.03454	6.5
94.98087	0.6
95.01395	1.7
96.96008	12.0
97.02956	0.8
99.00864	1.3
100.12215	0.5
101.02431	12.0
107.01382	17.7
107.02112	0.9
109.02959	1.6
111.00878	1.9
111.04517	0.9
113.02439	6.6
119.03496	2.5
121.02953	0.7
123.00863	1.2
124.01662	7.1
125.02451	13.6
127.04008	0.7
135.00900	0.6
135.04539	1.4
137.02457	1.4
139.00375	0.6
143.03476	1.2
151.00365	65.6
152.01157	20.2
153.01970	5.6
155.03519	0.8
159.04515	1.9
161.02440	1.2
161.04565	2.2
161.05963	0.7
163.00307	0.9
164.98605	0.6
169.01447	7.1
172.05348	1.3
173.04538	10.4
173.06079	2.8
174.04901	0.8
174.06848	0.6
177.01932	1.3
178.99852	100.0
180.00183	2.3
181.01440	1.6
187.04008	1.6
187.07654	2.9
189.05534	4.1
189.09238	0.7
190.02773	1.2
191.05598	13.9
192.05902	1.4
193.01384	0.6
199.07657	1.5
200.04782	3.7
201.05566	1.4
203.03552	0.9
203.14064	0.6
211.04045	0.7
212.04741	0.7
214.02730	0.8
215.07104	26.2
216.07690	2.5
217.08783	3.6
221.04480	0.7
225.00748	1.4
225.05566	1.7
227.03462	0.8
227.07118	3.8
232.03769	1.4
236.93990	0.7
239.07352	0.6
241.05028	2.6
242.05853	1.6
243.02950	1.1
243.06590	3.6
244.07439	0.7
253.05008	4.7
254.05743	2.0
255.02968	1.8
255.06502	0.8
263.16626	0.8
264.04312	0.7
265.08594	0.9
267.06445	1.0
270.05255	1.1
271.02451	3.1
271.06076	7.4
289.08475	0.9
289.18106	0.9
292.07413	0.8
293.04785	0.9
293.08093	1.1
296.03189	1.0
299.01852	1.7
300.02664	5.3
305.08130	0.8
307.19122	4.5
309.07471	0.8
311.01910	0.9
311.09177	0.9
321.04016	1.4
322.04739	1.3
325.07117	1.4
333.07553	2.8
334.08099	0.8
335.09189	0.8
351.08673	1.5
353.06583	10.9
353.10483	0.9
361.06995	1.8
378.07492	1.7
379.08191	9.9
380.08176	1.0
391.18826	0.7
397.09253	33.2
398.09369	1.5
403.10443	3.6
441.61002	0.6
467.15427	0.9
469.24750	1.2
485.24194	2.9
487.25433	2.0
511.18436	1.3
528.70313	0.8
529.13446	69.9
529.26343	41.0
530.13782	6.2
530.26807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98809	0.2
71.01385	0.3
72.88171	0.1
73.02952	0.6
76.76239	0.1
78.95901	0.6
79.95735	3.3
85.25270	0.1
89.02428	0.2
96.96002	100.0
97.95926	0.3
100.17370	0.1
101.02464	0.4
113.02451	0.1
115.04053	0.1
119.03453	0.1
134.03809	0.1
153.01895	0.1
168.45248	0.1
173.04625	0.1
191.05603	0.4
227.03464	0.5
229.05136	0.2
252.33501	0.1
255.02921	0.6
284.03189	0.9
285.03973	0.8
307.19128	0.5
353.06174	0.3
359.78864	0.1
431.09863	1.4
529.13452	0.2
529.26501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03435	0.8
59.01375	100.0
60.01709	0.5
61.98831	0.5
69.03453	0.2
69.53745	0.9
71.01378	10.9
71.91507	0.2
72.99310	0.4
73.02943	3.1
74.44512	0.2
75.00871	0.4
80.96541	0.3
81.03453	0.2
83.01376	1.6
85.02943	5.6
85.03436	0.3
87.00881	0.6
87.04507	1.3
89.02440	1.6
89.54620	0.1
93.03452	0.3
95.01395	1.2
96.95988	0.2
97.02961	0.5
99.00872	1.8
101.02435	5.0
101.03063	0.3
111.00908	0.3
113.02442	6.8
119.03500	0.4
125.02435	0.5
129.01953	0.2
143.03473	0.9
144.13464	0.1
159.02965	0.8
161.04549	5.1
173.04633	0.5
179.05550	0.2
191.05615	0.5
201.11443	0.2
209.11890	0.3
220.24547	0.2
225.11281	0.3
312.94550	0.2
323.25790	0.8
467.30084	13.8
468.30521	1.2
485.31171	8.5
486.31680	0.6
527.18274	0.5
527.32581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03447	2.2
58.00590	0.4
59.01096	0.8
59.01376	13.6
67.01877	0.5
68.99794	0.8
69.03444	1.2
71.01375	18.3
71.63543	0.7
72.99295	5.2
73.02939	1.7
75.00864	18.5
80.96499	0.7
83.01371	1.1
85.02944	22.8
86.48258	0.4
87.00866	6.9
89.02449	5.4
95.01384	5.4
99.00874	10.1
101.02420	1.0
101.91572	0.4
103.00354	3.1
111.00868	0.9
112.01640	0.4
113.02440	32.2
114.02788	0.6
115.00356	1.8
117.01907	2.7
129.01904	1.4
131.03447	0.9
131.96164	0.4
134.30190	0.4
152.99597	2.1
157.01366	1.6
175.02429	3.6
193.03520	0.6
205.07156	2.4
205.19554	0.5
223.08189	1.3
231.05121	0.9
249.06110	8.7
249.08685	0.4
267.07193	7.3
277.21686	52.5
278.21994	3.1
409.13641	0.6
467.26193	0.7
509.27487	2.1
527.28564	100.0
528.28876	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46782	0.2
57.03448	0.8
59.01375	6.2
59.23571	0.2
61.98802	0.2
69.32078	1.4
71.01372	3.9
71.05017	0.5
73.02930	0.5
78.95883	0.2
80.07936	0.1
80.96483	0.2
81.03439	0.2
83.01369	0.3
83.05009	0.5
85.02934	1.1
87.00875	0.5
89.02440	3.4
93.03458	0.3
95.01362	0.3
95.05021	0.7
97.06576	0.3
98.20563	0.3
98.57899	0.2
99.00871	0.3
101.02436	3.8
106.04256	0.2
106.78669	0.1
107.05023	0.3
109.06576	0.5
109.86430	0.2
111.08152	8.0
113.02432	1.6
113.09706	0.5
119.03486	0.9
121.06605	0.2
123.08140	0.3
135.08162	0.2
135.11815	0.4
137.09688	0.6
139.11287	0.2
141.09262	0.2
143.03583	0.2
149.09706	0.3
155.10820	0.3
157.05058	0.2
159.11758	0.2
161.04599	1.5
165.12926	0.2
167.10767	1.9
171.10272	0.9
177.12817	1.9
179.05476	0.2
179.10753	1.6
191.63841	0.2
194.99544	0.1
195.13901	5.3
195.15714	0.3
196.14223	0.3
203.14366	0.4
209.11812	0.4
225.11349	0.2
235.08157	0.4
247.20657	2.3
253.09256	15.5
254.09564	0.5
273.18619	1.3
291.19620	100.0
292.19965	4.8
372.05731	0.2
398.72473	0.2
461.98892	0.2
527.17670	0.3
527.28583	4.2
528.28461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90710	0.3
59.01374	3.9
61.98836	1.7
63.96236	0.7
69.03433	0.6
71.01376	6.1
71.63071	0.5
73.02949	1.9
78.95900	5.6
78.98585	5.1
79.95729	7.4
80.96510	48.2
81.03464	0.9
82.95442	0.5
82.96078	0.3
83.01342	0.4
83.05025	0.5
85.02949	2.3
87.00877	2.4
89.02430	0.3
93.03462	0.9
94.98077	12.8
95.01352	0.4
96.96008	3.3
96.96960	1.7
97.02946	1.2
99.00885	0.7
99.04528	0.5
101.02441	3.0
106.98070	2.4
107.01387	0.6
113.02422	0.6
122.97585	4.4
125.02448	2.4
127.04040	0.8
131.63998	0.3
134.97569	4.3
136.07753	0.4
136.99132	1.0
148.99133	4.8
151.00357	0.8
152.00969	0.3
152.98622	6.3
154.60750	0.3
164.98621	10.1
164.99992	0.6
167.00171	0.6
173.04559	1.1
178.99969	0.7
182.99657	1.5
185.89398	0.3
188.98643	0.6
191.03644	0.7
191.05615	2.4
206.99646	3.1
209.11794	3.8
224.05353	0.3
225.00685	18.4
226.00946	0.4
241.01089	0.5
243.01776	1.3
255.02919	1.0
256.03326	1.3
271.02457	1.7
272.02768	2.5
299.04385	2.1
300.02676	2.7
301.03131	7.6
302.03769	2.6
319.77063	0.3
372.88052	0.4
384.54178	0.4
389.54425	0.3
421.54086	0.4
453.20834	0.4
463.08765	0.5
464.09064	9.4
467.23257	0.5
525.94666	0.4
527.17950	100.0
528.18359	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	527.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
62.66673	0.3
63.96225	0.5
69.03452	0.5
69.52775	1.2
69.53197	1.6
71.01380	5.2
73.02934	1.2
77.90666	0.4
78.98583	4.3
79.95729	7.3
80.96510	52.5
81.03451	1.1
83.01375	0.4
85.02959	2.3
87.00869	1.9
94.97459	0.7
94.98075	12.1
95.01399	0.5
96.95999	0.9
97.02957	1.1
99.00863	0.6
101.02431	3.0
106.98061	2.6
113.02448	0.4
117.91235	0.4
122.97588	4.7
125.02448	2.9
127.03960	0.7
134.97598	4.0
136.99127	1.0
148.22334	0.4
148.99136	6.0
152.98636	7.3
164.98621	10.4
174.70833	0.4
182.99713	1.8
206.99707	3.3
209.11855	3.8
225.00716	20.3
226.01093	0.5
227.12895	0.4
243.01834	2.3
299.04398	2.8
300.02634	0.5
317.05396	0.7
527.17975	100.0
527.61316	0.7
528.18268	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	527.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13708	0.5
59.01376	100.0
60.01711	0.7
61.98831	2.2
63.02396	0.5
67.29103	0.5
68.26815	0.5
69.78751	3.3
71.01388	2.3
73.02959	0.8
78.95903	1.2
80.96529	0.7
85.02943	1.3
87.00876	0.7
89.02429	0.7
93.03466	0.9
96.96014	6.0
96.99706	0.5
101.02449	1.6
107.01376	0.7
113.02499	1.3
120.84177	0.5
125.83477	0.6
128.89645	0.5
135.00885	0.8
151.00383	2.0
156.49269	0.5
163.00380	2.7
173.04524	1.6
178.99911	1.0
190.99844	24.4
191.05516	4.1
197.94305	0.5
206.02177	33.4
207.02548	0.8
213.05341	0.6
221.04535	63.3
222.04916	1.9
286.71765	0.5
314.21661	0.5
365.20044	0.6
409.13126	5.4
409.63492	1.5
467.15482	1.0
527.17865	6.1
527.68335	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	526.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26387	0.7
51.42851	0.5
51.54414	0.6
57.03455	1.6
59.01375	10.5
61.98825	4.1
67.01910	0.9
71.01376	5.7
71.05013	0.6
71.63361	0.7
72.99333	0.7
73.02950	1.7
78.95896	12.2
79.95735	0.7
81.03471	0.7
83.01398	0.9
83.05038	1.1
85.02952	4.0
87.00887	1.5
89.02419	2.9
93.03447	5.8
95.08376	0.7
96.96014	7.5
97.06596	1.2
99.08150	7.0
101.02448	2.7
107.05012	0.7
111.04529	1.7
113.02445	2.0
116.92827	0.7
125.09747	2.1
127.11273	6.3
135.04520	0.7
136.45580	0.6
139.11275	13.2
140.01147	3.2
141.12831	0.9
152.99602	1.4
155.10753	0.9
155.14441	0.7
157.12323	1.5
161.04608	0.7
167.14417	1.2
171.10254	44.7
172.10605	1.3
173.04527	7.0
183.13873	4.0
191.05594	15.3
193.12311	1.9
196.03778	2.2
201.11380	0.9
209.11815	1.9
211.13365	26.8
212.13780	1.3
214.04857	5.3
221.04568	1.1
229.14418	15.4
271.02444	0.7
293.21191	2.2
309.14929	0.8
311.22192	1.2
329.23297	82.9
330.23651	5.3
353.13849	5.8
412.25363	0.6
417.13248	0.9
425.04700	0.6
432.15463	4.1
450.16162	0.9
467.24899	7.0
476.14017	0.9
508.17447	2.0
526.19055	4.7
526.27789	100.0
527.19208	4.2
527.28448	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	526.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19154	0.5
59.01090	1.0
59.01376	18.9
59.44009	0.5
61.98821	7.2
69.85500	1.1
69.85911	1.9
71.01369	3.6
73.02911	1.2
78.15207	0.5
78.95896	9.9
78.98582	1.8
79.95740	2.5
80.02660	1.9
80.96510	19.3
81.03465	2.9
81.35235	0.6
83.01385	1.8
83.05016	6.7
84.02168	1.8
85.02952	1.2
87.00858	1.0
88.98831	0.9
93.03463	0.9
94.98075	4.3
95.05011	1.7
96.96022	1.3
98.16244	0.6
101.02434	1.4
106.98087	0.9
122.97582	1.8
122.98481	0.7
125.02426	0.9
125.09734	1.2
129.56364	0.5
134.97571	1.6
135.08115	1.5
137.02495	0.6
137.54805	0.5
148.99133	2.3
150.63426	0.7
152.98524	2.7
152.99654	3.2
163.11259	5.3
164.98630	3.5
165.12872	4.3
168.04292	2.5
173.04486	0.9
181.12296	0.8
182.99728	0.9
191.05592	1.7
191.10759	2.4
206.99606	1.3
209.11803	100.0
210.12195	3.9
217.45058	0.6
223.13498	1.6
224.06960	0.6
225.00714	7.4
227.12859	13.8
241.14427	10.5
242.08002	5.0
242.14861	0.7
299.04297	1.4
381.13037	1.3
407.15210	0.8
450.16718	0.7
452.20502	76.1
453.20795	4.4
454.16183	0.8
466.22137	5.6
484.25189	0.9
526.16888	3.8
527.17957	38.5
544.48846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.5
59.01379	30.6
61.98817	9.4
71.00988	1.9
71.01379	29.2
71.62411	1.4
71.62785	1.8
72.70151	1.2
72.99300	15.5
73.02940	3.5
75.00865	56.6
83.01374	3.0
85.02941	13.3
87.00866	5.7
89.02437	20.4
93.03455	2.8
95.01392	2.8
96.96006	10.6
99.00900	2.2
101.02448	16.0
111.00859	1.4
113.02436	10.5
115.00362	5.2
116.05058	59.4
117.01967	1.8
119.03490	8.8
119.67127	1.2
125.02456	2.9
128.05054	13.8
130.06618	10.8
135.02991	40.1
135.04532	1.8
137.02495	1.1
140.05058	2.8
143.03467	2.8
144.04585	2.9
151.00389	2.4
154.06639	3.8
154.50475	1.2
156.08195	7.1
157.05304	5.0
158.06099	87.0
159.03036	2.4
159.06442	2.5
161.04524	19.9
166.06572	4.4
170.06145	1.6
172.04005	4.1
173.04585	3.6
175.02458	4.3
178.99815	2.3
179.03468	1.4
179.05545	2.8
182.06148	1.8
184.07678	13.2
191.05583	10.4
193.02000	1.6
200.07185	1.8
210.05577	100.0
211.05901	3.3
221.06665	3.0
226.05106	4.6
240.87950	1.1
245.60088	1.3
246.07748	2.9
248.55197	1.3
258.42709	1.3
269.31665	1.2
300.02597	1.8
320.11432	6.5
364.14041	12.3
365.14444	1.8
390.11932	9.5
406.11285	4.7
408.12939	86.9
409.13379	4.9
446.08453	3.9
454.08121	7.2
527.11328	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	526.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53864	0.8
54.82694	0.8
55.47908	0.8
59.01366	6.7
61.98823	12.0
63.02011	0.7
69.71004	4.9
71.01367	6.6
73.02950	1.9
78.94978	0.7
78.95904	0.8
78.98594	2.2
79.95731	2.6
80.96508	24.5
83.01360	1.0
85.02946	3.0
87.00869	1.2
94.98070	5.1
97.02939	0.9
99.00865	1.1
101.02443	3.6
107.01380	2.1
109.02963	1.7
113.02459	0.9
121.02936	1.5
122.97595	1.8
125.02422	1.2
125.73114	0.8
134.97580	1.6
148.99139	1.1
151.00327	7.9
152.98610	2.7
154.65802	0.7
155.81235	0.7
156.16031	1.0
163.00348	2.4
164.98572	3.7
178.99828	5.3
182.99669	1.4
206.99670	1.2
209.11801	1.9
211.03896	1.3
225.00716	8.9
226.02695	1.5
227.03465	2.0
229.05203	0.8
243.02988	7.2
254.02240	2.2
255.02950	18.8
271.02448	45.6
272.00168	0.8
272.02982	3.4
273.03967	1.0
299.04712	1.3
300.02716	94.6
301.03455	34.9
302.03964	1.5
452.20624	1.2
463.08759	100.0
464.08936	6.8
465.23419	2.4
466.23557	2.3
482.22510	1.7
483.24390	2.2
484.24512	1.2
526.16992	6.3
527.17944	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	42.5
70.14211	100.0
81.71259	21.2
115.96700	20.7
253.21732	76.9
315.48300	22.2
525.28076	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59024	0.8
59.01376	20.0
60.01685	1.3
61.98827	21.9
62.84694	0.8
68.71921	0.9
71.01381	8.8
72.99300	3.3
73.02935	4.3
78.95927	5.1
78.98595	1.9
79.95744	2.9
80.96513	21.0
81.03456	1.4
83.01385	3.0
83.05029	1.6
85.02956	4.5
87.00903	1.3
93.03450	2.1
94.98069	4.6
96.96021	1.4
97.02947	1.1
99.00857	1.8
101.02448	6.7
107.01384	1.7
108.13131	0.9
113.02431	2.9
113.33195	0.9
121.02958	1.7
122.97617	1.5
125.02502	2.2
134.97595	1.3
140.34677	0.9
148.99113	2.0
151.00345	9.1
152.98543	1.3
161.04546	2.0
163.00343	2.0
163.11339	1.3
164.98619	3.2
168.04372	1.1
173.04434	1.2
178.99879	4.8
191.05589	4.0
206.99834	1.3
209.11815	22.4
225.00728	7.5
226.00945	1.0
227.03352	1.4
227.12825	4.2
241.14520	4.9
242.08205	1.5
243.03032	6.3
254.02187	2.6
255.02960	17.0
271.02444	41.7
272.02936	2.6
283.02475	1.8
300.02728	81.0
301.03461	37.2
302.03894	1.4
313.12408	1.0
321.19141	1.2
381.12866	1.4
440.21808	1.3
452.20554	17.8
453.58160	1.1
463.08774	100.0
464.09131	7.2
465.23477	6.0
466.23199	7.3
481.23367	1.5
482.23267	2.3
483.24478	5.5
484.24789	5.9
525.16382	4.1
525.23816	1.3
526.16785	22.8
527.18030	19.2
545.94983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98820	3.4
69.47350	5.3
71.01373	9.8
72.99291	1.0
73.02945	4.8
80.96555	0.9
83.01375	0.9
85.02947	3.8
87.00873	1.1
89.02443	6.7
101.02444	8.2
113.02443	5.1
119.03474	2.8
143.03423	1.0
149.04564	0.9
161.04510	1.3
171.10330	0.9
173.04477	1.0
179.05597	1.4
181.11931	0.8
191.05563	2.2
214.03848	0.8
221.31866	0.7
251.46069	0.9
263.18845	0.8
270.57004	0.9
333.08044	0.9
390.06750	1.0
401.04056	0.9
439.27020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56010	0.3
54.69268	0.3
56.85460	0.3
59.01367	1.3
60.12160	0.3
61.98825	13.3
62.98343	0.3
63.31844	0.3
63.96226	0.6
69.03452	0.4
69.63966	1.9
71.01377	4.2
73.02956	1.6
78.98584	4.2
79.95727	6.0
80.96509	46.0
81.03465	0.6
83.01391	0.3
85.02943	1.1
87.00859	1.7
89.02433	0.3
94.98077	11.7
96.96025	1.0
97.02940	1.2
99.00882	0.4
101.02428	2.6
106.98093	2.2
109.06561	0.3
113.02445	0.5
122.97565	4.6
125.02424	2.8
126.30328	0.3
127.03980	0.5
134.97581	3.0
136.99113	1.0
147.31841	0.3
148.99135	4.5
150.03294	0.3
152.98618	5.7
163.06209	0.3
163.11243	0.4
163.56744	0.3
164.98616	9.3
179.00233	0.4
181.12373	0.5
182.99681	1.7
185.40710	0.3
206.99678	2.5
207.10242	1.6
209.11755	0.8
210.12181	0.5
225.00722	18.5
225.11256	2.3
243.01721	1.6
247.91087	0.3
266.67758	0.3
282.13419	0.4
299.04446	3.0
317.05356	0.4
525.16394	100.0
526.16730	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	525.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20037	0.4
53.64593	0.4
58.56404	0.4
59.01374	3.3
59.58105	0.4
61.98818	1.3
63.96229	0.8
64.12900	0.4
69.03435	0.8
71.01379	6.4
71.07539	0.5
71.07859	0.6
73.02946	2.4
78.98585	4.6
79.95726	7.5
80.96509	50.3
81.03439	1.0
85.02952	2.4
87.00857	2.3
94.98082	12.2
95.01408	0.5
96.95979	1.9
97.02930	1.8
99.00871	0.9
101.02426	3.0
106.98081	2.5
109.06567	1.2
113.02475	0.8
122.97575	5.2
125.02443	2.7
127.03975	0.9
134.97560	3.7
136.99142	1.0
141.20499	0.4
148.99138	5.8
152.98615	7.0
163.11293	1.2
164.98605	9.1
173.04462	0.5
182.99644	1.8
191.05605	0.8
206.99702	3.0
207.10155	2.0
209.11740	0.6
225.00708	18.0
225.11333	0.9
243.01677	1.5
268.11041	0.4
299.04437	2.3
444.41714	0.5
525.16425	100.0
526.16724	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	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
57.03447	3.4
58.00576	0.6
59.01379	10.5
61.98822	0.6
67.01862	0.3
69.03463	0.5
69.29321	1.9
70.56147	0.2
71.01378	17.3
72.01727	0.2
72.99303	1.1
73.02942	7.5
75.00853	0.6
77.96758	0.2
78.95882	0.2
81.03437	0.2
83.01377	4.8
85.02946	11.0
86.00104	0.6
86.44769	0.2
87.00871	1.5
87.04504	0.8
89.02432	1.3
90.09486	0.2
93.03458	0.5
95.01379	1.7
96.95992	0.3
97.02937	0.7
97.06613	0.3
99.00880	3.2
101.02436	15.3
102.02753	0.3
109.06633	0.2
111.00867	3.9
111.04480	0.2
113.02443	6.7
123.08131	0.8
125.02406	0.4
125.09719	0.2
129.01962	1.0
131.03490	0.2
135.04535	0.3
135.08171	0.3
139.09834	0.2
139.11221	0.4
141.01891	0.3
141.09183	0.3
141.12834	0.9
143.03450	0.5
143.10820	0.2
153.09198	0.6
159.02992	2.4
161.04501	2.0
169.12338	0.4
171.13902	1.9
173.04562	1.2
173.11824	0.2
187.13356	0.8
191.05588	1.4
199.13362	0.4
200.14136	0.4
201.14952	2.0
213.14880	0.2
217.14424	0.5
295.22665	0.2
315.25449	1.0
341.26755	0.2
343.28345	0.3
347.13602	0.2
359.28018	2.3
361.29547	12.8
362.29907	0.6
505.33899	0.3
521.33356	0.4
523.34802	100.0
524.35132	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	523.3272
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
52.81915	0.3
57.03442	1.3
59.01374	0.9
59.35669	0.3
66.88551	0.3
69.89882	0.7
69.90292	1.4
71.01365	1.0
74.20635	0.3
74.35500	0.3
78.95895	0.4
78.98556	0.4
79.76768	0.3
79.95743	0.8
80.96505	3.8
83.05013	0.6
87.00874	0.7
89.40894	0.3
94.98087	1.1
97.06564	0.6
99.04509	1.3
107.04996	0.4
107.95992	0.4
109.06570	0.6
111.04507	0.6
111.08130	0.8
123.08160	2.0
124.80827	0.3
125.02449	0.6
127.11247	0.6
135.08179	1.4
137.06059	0.9
137.09776	1.5
138.81805	0.3
143.10794	1.1
144.51117	0.3
148.99158	0.4
149.06038	1.6
149.09686	2.5
150.06851	10.0
151.07286	0.4
153.09174	1.2
155.10820	1.8
155.11871	0.3
157.12262	0.6
162.06847	46.9
163.07637	8.4
164.08406	1.9
164.98599	0.6
165.09175	0.6
167.10724	1.1
171.10220	0.5
172.10992	0.4
173.06078	0.6
176.07030	0.5
176.08417	5.5
177.09189	18.4
178.09622	0.5
179.10796	0.6
184.11015	0.4
207.13931	0.4
215.10803	0.4
225.00708	1.8
243.44110	0.3
245.15463	0.8
258.16190	2.5
261.18607	0.6
263.20242	0.4
273.18539	4.3
279.19647	0.5
281.21182	1.0
299.22079	0.8
305.17575	0.6
322.68015	0.4
326.24179	1.0
331.19070	0.9
345.22766	33.6
346.23035	2.0
408.37454	0.4
444.28516	1.6
446.30542	0.6
459.31232	1.9
469.58267	0.3
505.31647	21.3
506.31964	2.2
523.18695	7.3
523.32690	100.0
524.18805	0.4
524.33002	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	523.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01383	2.7
61.98817	0.6
69.37965	3.5
78.95899	11.8
81.48432	0.5
83.05018	0.7
96.27866	0.6
96.96954	0.5
97.06554	0.6
108.63416	0.4
113.09717	2.5
152.99577	13.0
157.08647	0.5
171.00635	2.5
179.14426	1.1
181.12320	1.2
193.41234	0.4
195.13895	21.3
227.03252	1.0
245.04333	2.2
277.21695	17.7
278.22061	0.9
295.22751	100.0
296.23071	5.1
388.59933	0.5
436.01370	0.4
523.26691	66.9
524.26947	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	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
56.82061	0.7
57.01790	0.6
57.03442	1.9
58.00597	0.7
59.01376	28.1
61.98820	0.8
69.03458	1.4
71.01379	32.6
71.63218	0.7
72.99292	1.7
73.02944	8.6
75.00862	0.9
80.96511	0.7
81.03435	0.9
83.01389	5.0
83.05023	0.7
85.02943	13.5
87.00880	1.1
88.98775	0.9
89.02436	14.1
93.03436	1.7
95.01369	2.0
96.95992	2.9
97.02940	1.4
99.00854	4.6
99.04507	0.6
101.02440	22.7
101.55604	0.6
111.00869	3.7
111.71208	0.5
113.02443	12.6
125.02433	2.3
131.03485	7.1
137.02409	0.8
143.03474	1.6
145.90167	0.6
149.04530	3.8
155.03439	0.8
159.02989	1.7
161.04532	8.1
173.04572	2.0
191.05595	3.9
209.11769	2.4
223.23856	0.5
233.06718	1.1
293.08893	0.8
331.17581	7.5
341.98752	0.6
386.79373	0.6
402.98407	0.7
406.28583	0.6
463.21805	100.0
464.22125	7.6
479.21307	1.1
523.21393	0.9
523.28900	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	523.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
57.03439	1.6
58.00597	1.9
59.01376	74.5
60.93153	1.0
61.98796	1.4
69.03457	1.3
71.00983	2.6
71.01377	49.9
72.99300	4.0
73.02939	16.0
82.15210	1.2
83.01382	4.9
85.02949	14.0
87.00881	3.7
89.02436	41.3
93.03461	3.4
95.01392	4.7
96.96005	2.8
97.02962	2.0
98.19891	2.3
99.00872	31.3
99.44894	1.3
101.02433	31.4
109.03033	1.3
111.00858	1.8
113.02440	22.5
115.03989	2.7
119.03484	5.0
122.03735	1.1
124.56503	1.1
125.02408	2.2
131.03485	12.6
135.04529	1.6
138.60464	1.1
143.03487	2.3
149.04539	13.0
150.03204	1.5
159.04491	1.3
160.05276	4.3
161.04539	7.2
161.05795	2.3
173.04518	4.7
175.07607	3.0
176.07985	2.1
177.05594	1.6
179.05591	1.4
187.13406	2.4
191.05611	9.4
209.11810	2.4
211.13345	8.1
227.12909	1.1
229.14482	2.6
233.06506	1.3
234.89635	1.1
293.08859	1.9
329.13849	5.5
330.14139	6.5
331.14261	10.1
331.17807	5.7
349.18674	6.2
361.16556	5.6
391.19852	11.3
403.23492	1.9
451.17969	1.2
459.17914	1.7
463.21719	67.1
464.22186	5.3
487.53943	1.1
505.22635	1.7
523.23358	100.0
524.23639	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	522.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24829	1.0
61.98825	100.0
68.90753	1.0
69.51598	2.4
69.52005	6.0
98.19808	1.2
107.40959	1.1
116.60404	1.2
122.06075	1.3
189.56238	1.2
268.60873	1.0
268.63879	1.1
319.06573	1.1
363.75644	1.3
366.10535	1.3
405.77304	1.1
486.32941	1.6
530.53638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03963	0.3
57.03444	0.3
58.77334	0.3
59.01371	2.3
63.96241	0.7
69.03467	0.7
69.31806	0.8
69.32223	1.9
69.43349	0.3
71.01377	6.2
73.02953	2.0
78.98586	4.7
79.95730	7.9
80.96510	54.1
81.03440	0.6
83.01389	0.3
85.02944	2.3
87.00878	2.3
93.03452	0.6
94.98082	12.9
95.01395	0.5
96.95993	1.4
97.02945	1.3
99.00872	0.7
101.02442	2.8
106.98068	2.5
113.02434	0.8
121.28524	0.3
122.97578	5.3
125.02460	2.6
127.03994	0.9
133.10886	0.3
134.97592	2.8
136.99117	1.3
148.99129	5.3
152.98621	7.1
164.98610	9.4
167.00192	0.7
173.04556	1.0
178.77773	0.3
182.99675	2.2
191.05574	0.6
195.13911	0.6
206.99680	2.7
223.13425	2.1
225.00711	16.0
243.01813	1.6
257.34155	0.3
299.04385	2.7
302.17380	0.4
346.57156	0.3
398.61395	0.4
484.94656	0.3
522.33734	0.6
523.18488	100.0
524.18774	7.5
533.04730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
71.49556	0.5
73.71647	0.2
81.51506	0.3
100.93098	0.3
101.44619	0.2
120.13476	0.3
168.84494	0.3
180.10210	0.3
189.94780	0.3
199.29538	0.3
360.57816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.3
59.89196	0.7
61.98818	4.3
69.71434	2.7
69.71843	1.4
71.01375	1.6
71.05022	0.8
78.95900	16.3
83.05035	0.8
85.02949	1.0
88.68935	0.7
93.03458	1.6
96.96034	1.2
96.96964	1.1
97.06592	1.5
111.08157	1.0
113.02495	0.8
119.05070	2.4
120.05280	0.8
121.02959	2.1
122.03773	3.0
123.04538	1.4
125.09742	1.7
135.04503	1.1
136.05276	0.9
137.02397	0.8
137.09744	1.0
140.01176	6.4
152.99562	3.7
163.03998	1.9
164.04346	0.9
164.08453	0.9
165.12788	1.3
166.02765	0.7
167.10715	1.1
167.14407	4.7
171.00700	1.1
171.10225	1.1
173.04559	2.5
178.02687	0.7
191.05652	3.4
191.14423	1.0
193.15990	3.1
196.03801	2.9
197.11740	1.1
197.76959	0.7
207.17581	2.6
209.11792	4.6
214.04823	8.4
221.11703	0.8
231.17535	1.5
233.15463	1.6
245.19138	2.2
249.18555	34.2
250.18913	1.9
270.96857	0.7
275.16489	20.9
276.16904	1.1
281.21219	5.6
289.18076	3.3
293.17563	71.1
294.17975	3.1
307.19073	4.3
311.22281	2.6
325.20157	100.0
326.20517	5.1
436.17261	0.8
522.24622	37.1
523.25275	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	522.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50154	0.2
58.58247	0.2
59.01371	3.9
60.01689	0.2
61.98825	100.0
69.03465	0.3
71.01389	0.7
71.62670	0.3
78.95915	0.5
85.02950	0.6
89.02451	0.3
93.03446	1.2
96.96026	0.8
101.02422	0.4
109.02953	0.3
111.04491	0.3
135.04555	0.4
137.02466	0.3
148.20293	0.2
159.04613	0.3
161.04680	0.3
173.04526	2.1
174.04857	0.3
179.83075	0.2
191.05605	2.7
192.06018	0.3
223.13339	0.4
224.13811	0.4
225.13951	0.3
325.20081	0.4
462.24652	0.3
462.31808	0.8
519.29065	0.2
522.25616	0.3
522.33777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27285	0.5
57.03439	3.8
59.01377	3.1
61.98831	0.9
62.42162	0.5
62.53717	0.4
71.01367	0.5
71.39370	0.7
78.95898	9.6
78.96349	0.7
83.05045	0.6
96.96002	0.7
97.06569	0.9
108.55360	0.5
109.06613	0.6
113.09715	16.3
121.10271	1.0
139.11285	1.7
149.09729	0.5
150.06821	0.5
152.99574	12.0
161.02435	0.6
162.06805	0.6
167.10744	3.0
171.00612	1.7
171.10260	2.6
177.12773	0.9
179.10748	2.4
195.13884	2.7
217.41901	0.5
227.03131	1.1
245.04210	2.8
249.22231	2.3
252.33339	0.4
275.20108	2.8
293.21201	100.0
294.21490	5.0
295.22888	0.6
309.27328	0.4
353.91211	0.8
381.92395	0.5
400.82593	0.5
475.94754	0.5
484.80530	0.5
521.25122	49.0
522.25488	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	521.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01373	3.7
61.98825	1.3
69.97031	3.2
71.01376	0.9
72.20367	0.6
78.95896	23.2
83.05007	0.8
84.61080	0.6
85.74822	0.5
96.04008	0.6
96.95979	1.3
96.96966	1.1
97.06538	1.0
111.08150	0.8
113.09706	1.8
114.10017	0.9
114.67339	0.7
146.83334	0.6
152.99571	17.9
167.10649	0.8
167.97833	0.7
168.04350	1.6
171.00621	2.2
171.10263	1.4
173.04521	0.7
177.12753	0.7
179.14386	2.1
180.14674	0.8
181.12283	1.4
183.10187	1.3
191.05586	2.1
195.13879	22.3
196.14230	7.7
205.12279	1.7
211.13416	1.3
223.13403	8.8
224.06924	1.1
228.13602	1.6
242.07909	2.4
245.04224	2.9
256.13120	1.5
275.20099	7.8
277.21683	5.6
278.22043	9.8
293.21198	100.0
294.21533	5.6
295.22754	37.2
296.23083	67.1
297.23315	1.7
325.23602	1.5
440.26773	0.7
447.21414	0.8
520.30499	1.2
521.25079	69.8
521.31134	17.0
522.24969	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90504	1.5
55.01880	1.3
57.03447	1.9
59.01376	56.9
61.98833	5.6
69.03438	1.6
69.51368	2.3
69.51767	10.2
71.01377	15.7
72.26897	1.4
72.99284	1.8
73.02950	3.3
80.02695	1.6
81.03471	2.9
83.05025	3.4
85.02949	6.1
87.00865	2.0
89.02444	8.1
91.07941	1.4
93.03430	2.7
95.01393	1.2
96.96010	2.6
97.02936	6.5
99.00838	1.8
101.02433	12.9
108.70182	1.4
109.06581	42.9
113.02461	7.5
121.06635	2.1
135.08148	3.8
136.05296	2.0
142.02609	1.4
161.04601	3.3
161.09723	2.2
163.11279	21.4
173.04543	3.5
179.05582	1.9
181.12332	3.9
189.09221	2.9
191.05701	7.5
207.10257	100.0
208.10539	2.2
209.11832	4.2
225.11317	52.2
227.12805	7.6
241.09886	1.8
251.11301	2.7
253.09264	31.8
299.14944	1.8
443.19141	1.4
461.20242	45.3
462.20737	2.7
503.24808	1.9
521.26086	30.6
521.33130	2.4
522.25592	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	521.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24675	0.7
58.39944	0.8
59.01373	26.5
61.98804	2.1
63.73935	0.7
69.80929	4.4
71.01377	7.2
73.02928	2.8
74.99082	1.1
83.01372	1.4
85.02945	2.8
87.00841	1.7
89.02432	4.3
93.03440	2.0
95.01376	1.0
96.95984	1.0
97.02937	5.8
99.00876	7.1
101.02420	7.1
109.06576	4.6
110.03738	1.3
113.02442	3.8
119.03479	2.3
123.08139	0.8
125.09711	1.4
134.32295	0.7
135.08109	1.7
136.05229	1.1
136.99068	0.8
139.78548	0.7
142.02644	1.7
161.04546	2.5
163.11281	8.6
167.53258	0.9
173.04515	3.7
179.03430	0.9
181.12329	13.6
185.57191	0.8
191.05617	4.2
191.07051	0.9
207.10237	48.1
208.10574	2.3
215.31497	0.7
225.11295	100.0
226.11609	3.1
227.07109	3.5
232.61110	0.8
235.08195	1.3
243.12320	7.7
253.09265	7.8
336.36517	0.8
417.24545	0.9
424.33115	0.7
461.20181	63.2
462.20419	4.0
477.23477	2.0
521.17261	1.5
521.25623	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	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03975	0.3
57.03486	0.8
59.01376	8.1
61.98851	0.7
67.05549	0.3
71.01382	4.8
71.63439	0.5
72.99341	0.5
73.02945	0.8
83.01411	0.8
85.02946	2.1
87.00936	1.0
89.02449	3.3
93.03477	0.7
95.01416	0.5
96.96046	1.0
99.00906	0.4
101.02439	3.0
109.02923	0.5
113.02451	2.3
119.03545	0.7
119.08666	0.4
121.02935	3.3
121.06611	0.4
122.03783	1.3
123.00934	0.5
124.01678	0.6
135.04538	0.6
135.06683	1.2
135.08156	0.5
136.01677	0.5
136.05328	0.7
137.06082	0.5
137.09711	2.6
143.05054	0.6
146.03729	0.5
147.04550	1.6
149.02464	1.6
150.03215	3.8
150.04326	0.5
153.05656	0.4
158.03725	2.0
159.03201	0.8
159.04504	7.7
160.05295	21.4
161.04597	1.6
161.06099	6.4
161.09726	1.0
162.03342	0.5
163.03969	4.3
163.07678	1.6
164.04800	4.0
173.04587	0.8
173.06104	3.5
175.07626	22.6
176.04825	0.8
176.07939	0.4
177.05551	5.6
178.06354	9.0
179.05542	0.5
179.10841	1.2
181.08702	2.1
191.05624	1.9
192.07941	1.6
193.08673	2.4
223.09720	1.2
281.57114	0.3
297.11862	1.1
314.11536	1.0
329.13907	100.0
330.14218	6.2
334.12555	0.4
359.14914	4.5
442.21942	0.4
469.65018	0.4
477.23441	0.9
521.22211	24.7
522.22333	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.2
61.98819	0.4
71.01373	2.8
72.99337	0.3
73.02925	1.2
81.02400	0.2
83.01356	0.4
85.02924	1.2
88.98780	0.2
89.02429	0.6
93.03488	1.2
96.95999	1.1
99.00865	0.6
101.02441	1.4
102.64509	0.2
108.02090	0.3
113.02482	1.2
121.02952	3.1
121.07384	0.2
122.03701	1.3
123.00869	0.8
123.04533	0.5
124.01647	0.5
135.04524	0.4
136.01591	0.3
136.05254	1.4
137.02409	0.9
138.03217	0.3
143.05023	0.4
145.02954	0.3
146.03679	0.3
147.04527	1.7
149.02422	1.5
149.06099	0.3
150.03198	4.2
151.03989	0.5
153.05545	0.4
158.03711	2.6
159.03168	0.4
159.04492	8.2
160.05283	24.6
161.02431	0.4
161.04558	1.1
161.06039	6.6
162.03185	0.4
163.03978	4.3
164.04770	4.0
173.04517	2.3
173.06049	3.1
174.06731	0.3
175.07619	23.2
176.04726	0.9
176.07936	0.8
177.04016	0.4
177.05553	6.7
178.06329	8.1
179.03607	0.3
185.11809	0.4
191.05617	1.1
191.07103	0.3
192.07867	1.5
193.08681	2.5
299.12851	0.3
314.11533	1.0
329.13895	100.0
330.14249	5.7
347.17160	0.9
359.14999	3.6
472.98019	0.3
521.13190	0.5
521.22528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70790	0.4
59.01371	6.5
60.79379	0.5
60.99303	15.7
67.55106	0.5
71.01378	1.4
73.02942	0.9
84.07323	0.4
85.02956	0.7
87.00895	0.4
88.98801	100.0
89.02459	0.5
89.67317	0.4
89.99140	0.8
90.56846	0.4
93.03445	0.8
95.55004	0.4
96.96000	5.6
99.00885	0.7
101.02446	0.9
113.02454	1.1
165.01154	0.5
173.04509	0.9
191.05612	1.4
218.98697	0.4
225.11378	0.9
225.15047	0.5
227.12857	1.4
229.80104	0.4
255.02979	0.7
257.17728	0.7
284.03180	1.0
285.04044	1.1
337.99045	0.4
419.23044	0.6
431.09915	1.9
461.19772	0.5
473.51709	0.4
521.26019	9.2
521.33356	0.9
543.39545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20089	0.3
51.21473	0.4
57.14661	0.4
59.01373	0.7
61.98821	1.0
71.52518	0.5
78.95898	48.6
89.02105	0.4
89.56187	0.4
96.96954	6.7
110.80180	0.4
150.97971	1.9
152.99576	100.0
153.99913	0.5
171.00636	7.2
279.23395	1.0
430.13110	0.4
433.23557	25.8
434.23871	1.4
520.26782	7.2
521.27234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49382	0.2
57.03441	0.3
59.01375	35.2
60.01707	0.3
61.98825	100.0
71.01377	3.7
71.62919	0.4
73.02941	1.3
73.72417	0.2
74.02483	0.5
83.01385	0.6
85.02959	1.2
89.02436	0.8
93.03449	0.4
95.01375	0.3
99.00827	0.4
101.02443	2.6
109.90788	0.2
113.02433	1.2
119.03476	0.4
145.86510	0.2
160.15544	0.2
161.04573	1.2
173.04463	0.4
176.16913	0.3
177.50087	0.2
191.05521	0.9
203.05618	0.7
300.02750	0.3
371.20538	0.6
413.21857	1.8
520.27039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21763	0.3
59.01407	0.3
61.98826	4.8
63.03104	0.3
66.41859	0.3
69.96552	0.7
69.96967	0.9
73.57807	0.3
78.95897	53.5
84.52450	0.3
96.96959	5.8
98.20611	0.6
100.35838	0.3
109.82159	0.4
119.21705	0.3
120.09560	0.3
147.44397	0.4
150.98016	2.0
152.99571	100.0
153.99918	1.1
154.02357	0.3
171.00603	4.3
199.13365	0.4
213.83237	0.3
247.16904	0.3
365.27197	0.5
386.37677	0.3
413.07471	0.4
469.60147	0.3
519.27252	17.1
520.27856	0.8
533.90668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73763	0.3
56.53918	0.3
57.03428	0.5
59.01375	20.2
61.98824	4.0
66.11257	0.3
69.03452	2.0
69.44558	2.3
71.01382	4.1
71.05001	0.6
72.02271	0.3
73.02921	0.9
83.01364	0.5
83.05010	0.4
85.02960	1.8
86.28991	0.3
87.00871	0.9
89.02422	3.2
93.03443	1.0
95.04983	0.6
96.95987	1.1
97.02950	0.4
98.20654	0.6
99.37212	0.3
101.02439	4.0
109.06575	0.7
113.02447	2.4
116.92884	0.4
119.03474	0.8
123.08150	0.4
135.11780	0.5
140.24220	0.3
149.09734	0.6
161.04578	1.6
167.10764	2.2
173.04553	1.5
177.12845	0.4
179.05562	0.6
179.10786	1.1
179.14415	2.4
191.05582	2.4
195.13882	10.5
205.12303	8.3
205.14241	0.4
223.13365	100.0
224.13754	3.8
235.08246	0.7
253.09250	15.9
254.09581	0.4
326.48572	0.4
407.35086	0.4
459.22305	14.2
460.22647	0.9
519.31866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2442
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01862	1.9
57.03429	1.4
58.28049	0.4
59.01374	19.9
61.76302	0.4
66.69508	0.4
69.03427	0.5
69.33282	2.6
69.33707	1.9
71.01377	25.5
72.01708	0.6
72.99304	0.9
73.02943	8.5
83.01378	1.9
83.05009	0.8
85.02945	9.6
87.00857	1.2
89.02435	12.7
93.03428	0.5
95.01364	2.4
97.02932	0.5
98.20660	1.0
99.00871	11.8
101.02434	11.8
105.07018	0.6
112.01659	0.5
113.02438	11.4
119.03501	2.7
121.06581	0.6
123.08151	10.9
125.02400	0.6
129.01949	0.5
131.03523	1.3
136.01651	1.4
137.09700	3.6
138.06810	0.5
143.03476	1.6
149.04523	2.4
151.03972	2.0
153.09154	0.6
159.02969	1.6
161.04547	9.9
163.11273	10.2
163.12650	0.6
171.11794	0.7
173.04515	1.8
173.09766	0.6
179.05524	3.1
189.12831	14.5
191.05597	2.4
196.89609	0.5
206.12732	0.5
207.13878	17.7
208.14252	0.8
225.14891	3.3
233.06583	0.4
306.96198	0.5
343.96341	0.5
357.13376	1.7
387.20184	5.8
424.23373	0.5
461.20392	0.7
519.24371	100.0
520.24872	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	519.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34544	0.8
59.01373	3.0
61.98824	2.8
62.67102	0.9
68.53823	0.9
69.70424	0.7
70.33522	2.1
70.33923	1.3
72.85168	0.8
78.59373	0.7
78.95899	43.2
87.04516	1.2
96.95995	1.6
96.96960	4.6
102.99374	0.8
111.00881	1.2
111.34576	0.8
116.34740	0.8
121.39635	0.9
136.51987	0.8
137.09711	1.3
152.99582	54.6
156.10930	0.8
160.84134	1.1
171.00626	17.1
173.04514	1.4
177.12836	13.1
191.05560	1.4
221.61790	0.9
229.19601	2.1
230.61497	0.8
245.04283	100.0
247.20660	11.6
291.19638	61.6
292.19974	3.4
327.56604	0.9
519.23590	60.4
520.23730	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	519.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
55.77243	0.5
58.37207	0.5
59.01376	100.0
61.98843	1.1
69.38138	0.5
70.76702	1.8
71.01375	10.7
73.02956	3.0
75.70525	0.5
83.01418	0.9
83.27042	0.6
84.22023	0.5
85.02946	3.5
87.00883	0.9
89.02443	6.6
90.59163	0.5
91.17516	0.5
93.03480	0.8
95.01392	0.7
99.00880	1.0
101.02426	7.5
101.02966	0.6
113.02431	4.2
119.03512	2.6
135.45786	0.6
143.03413	0.9
161.04596	1.9
173.04593	1.6
179.05708	0.8
191.05640	2.3
214.20308	0.6
291.29620	0.5
333.84076	0.6
357.26440	1.0
363.79871	0.6
379.21451	0.8
397.22180	8.8
439.23355	13.3
440.23819	1.0
475.25726	1.6
483.22552	0.8
519.32001	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1863
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	0.4
57.03404	0.5
59.01371	7.3
60.54068	0.4
61.03910	0.4
71.01377	5.6
71.63134	0.4
73.02950	1.7
78.85819	0.4
83.01398	0.7
85.02939	2.3
87.00857	0.6
89.02402	2.2
93.03455	1.7
97.02915	0.5
99.00888	1.0
101.02437	3.4
108.02180	1.6
109.02944	0.9
113.02453	2.8
119.03477	0.8
121.02950	5.4
122.03768	1.6
134.03781	0.6
135.04524	0.5
136.01654	66.3
137.02544	2.2
143.03557	0.6
149.06032	0.5
151.03999	100.0
152.04350	2.6
159.04506	0.6
160.05296	1.0
161.02486	0.6
161.04597	2.1
162.03227	1.2
163.03951	1.0
173.04527	1.9
175.03888	0.6
175.07623	1.6
176.04686	0.6
177.05582	1.0
178.10661	0.5
179.05586	0.5
187.31314	0.4
188.04860	0.5
189.05592	0.6
191.05556	1.4
196.59947	0.4
230.11931	0.5
256.07410	0.6
271.02484	0.8
300.02777	1.4
301.03442	1.5
342.11060	5.2
357.13391	96.1
358.13770	6.1
372.36465	0.4
415.23135	1.0
447.09238	2.9
519.24609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
63.29226	0.8
69.52375	3.2
69.52807	3.2
84.22684	0.8
95.55709	0.8
98.20583	1.4
100.99925	0.8
119.67670	0.8
242.76953	0.8
249.33421	0.9
321.74994	0.9
342.00415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.2
61.98806	1.0
69.53408	3.5
71.01379	4.8
71.02486	0.6
72.00903	3.1
73.02955	2.7
74.02463	1.4
81.03430	0.6
82.06665	0.7
82.95397	0.9
83.01391	0.7
85.02931	1.3
85.04072	3.5
87.00862	0.8
89.02447	3.7
93.03458	3.9
96.00907	0.8
96.96021	2.3
97.00457	0.8
98.01193	0.5
99.00848	1.9
99.52361	0.5
101.02425	3.1
101.03560	0.7
106.04255	1.0
107.01356	0.9
107.05008	0.8
108.02166	0.6
109.02948	0.6
111.01997	5.6
112.00391	1.8
112.04041	0.6
112.07677	0.9
113.02446	3.0
113.03558	0.7
118.06618	2.4
119.03482	1.4
119.05018	9.6
121.02934	1.1
122.06073	0.5
125.02467	0.7
128.04657	2.5
128.35413	0.5
129.03049	5.5
129.10335	16.0
130.08720	0.6
130.10707	0.6
132.04520	0.5
133.05316	1.2
133.07683	0.6
134.06133	3.4
135.06593	0.5
136.01633	4.3
136.07645	2.2
138.05634	0.6
139.08775	2.6
140.07143	1.4
143.11876	0.6
146.06117	0.8
149.04538	0.8
151.00391	2.5
151.04007	5.6
151.08752	0.7
153.10281	1.2
155.08253	10.9
155.11964	0.9
161.04620	1.0
162.05576	2.2
163.04002	5.3
168.09019	0.7
169.09885	0.6
173.04523	1.8
174.05569	1.1
178.99844	1.1
179.08269	2.2
180.06641	24.0
180.11397	1.0
181.09825	3.4
181.17094	0.8
188.10802	0.5
191.05589	3.0
195.10324	0.6
197.16594	1.4
198.12483	1.9
206.09473	0.6
207.15045	0.9
208.13332	1.4
211.09584	0.5
211.14561	0.5
218.04509	1.4
220.06198	0.8
224.10432	0.5
224.17561	1.6
225.16087	2.3
232.13403	0.6
235.07182	4.1
242.18706	10.9
247.14507	1.2
249.08795	1.3
249.16066	7.7
255.03053	0.6
271.02405	1.2
275.96585	0.5
276.17065	2.0
293.15082	3.5
297.11884	2.0
300.02707	2.2
301.03506	1.9
309.12006	7.5
311.02036	1.3
316.23868	0.7
320.16251	0.6
329.02933	1.0
337.18768	1.0
355.70624	0.5
357.13422	5.5
362.24500	6.1
365.05801	0.9
387.20251	1.6
388.22412	3.7
406.23380	0.9
431.26523	4.1
432.21347	1.3
446.08441	2.0
475.08719	2.5
475.25681	11.8
476.25684	0.9
501.23532	13.3
502.23737	0.6
518.26154	100.0
519.12823	0.6
519.26324	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	518.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47988	0.2
59.01369	0.6
60.41783	0.2
61.98524	0.3
61.98829	4.0
71.62989	0.3
71.63415	0.4
78.95898	48.4
79.38320	0.3
88.79176	0.3
93.81593	0.2
96.96954	6.1
133.09576	0.2
150.98010	1.2
152.99573	100.0
153.99983	0.6
154.89534	0.2
171.00632	5.6
177.70728	0.2
245.59419	0.3
276.55933	0.3
277.21738	0.8
330.26041	0.2
342.90024	0.2
410.97983	0.3
431.21960	21.7
432.22324	1.7
518.25159	4.6
519.27039	2.1
527.19049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94384	0.5
55.01875	0.4
57.03436	1.0
58.00564	0.6
59.01376	59.8
60.01710	1.8
61.98826	100.0
70.41882	1.2
71.00990	0.8
71.01382	14.2
72.01698	0.6
73.02941	12.7
83.01387	3.8
85.02959	4.4
87.00877	2.0
88.98936	0.5
89.02445	6.1
93.03468	1.3
95.01378	0.8
96.96023	1.6
97.02944	0.5
99.00881	1.3
99.05640	0.8
101.02438	18.7
107.05004	1.1
108.05300	0.6
113.02438	8.4
113.03215	0.5
119.03493	2.8
128.03564	1.0
131.03522	2.0
135.04543	1.1
136.04837	0.6
137.09726	3.5
143.03513	1.9
143.04597	1.2
146.85857	0.5
149.04547	3.2
155.03461	0.6
161.04538	8.4
161.05826	0.6
161.09711	1.2
161.13387	1.3
162.10080	1.1
162.13713	0.8
173.04552	2.4
174.05017	0.6
187.11293	1.2
188.11641	1.4
189.09171	1.1
189.12772	0.5
190.09483	0.8
191.05524	3.0
200.56763	0.4
203.05649	1.0
205.12256	1.0
206.12440	0.6
221.06595	1.1
249.11244	0.9
250.11705	0.9
254.07967	0.5
267.10733	0.8
268.11148	0.9
272.08920	0.6
298.32831	0.4
306.07629	3.1
402.69318	0.5
411.20328	0.8
415.23370	1.0
489.19522	0.6
500.22092	0.8
518.23206	14.4
518.31006	0.8
519.14203	0.6
519.23352	1.1
519.32117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01376	61.8
59.13276	0.6
60.01710	1.4
61.98827	100.0
67.01899	0.7
69.09574	0.6
71.01383	13.8
71.62667	1.2
72.99278	0.8
73.02939	13.2
77.65176	0.6
83.01387	4.2
83.05022	0.7
85.02953	5.7
87.00871	2.0
89.02435	5.8
93.03428	1.4
95.01373	1.7
96.95996	1.0
99.00895	1.5
101.02436	18.5
107.05032	1.4
108.05357	0.9
113.02449	10.8
114.02770	0.8
119.03495	3.2
128.03560	1.5
131.03529	1.4
132.49921	0.6
135.04539	1.3
137.09723	2.9
142.69334	0.6
143.03499	2.5
143.04549	0.9
149.04547	3.3
150.56001	0.8
161.02472	0.9
161.04544	9.8
161.09727	2.0
161.13431	0.9
162.10008	1.7
163.19812	0.7
173.04500	3.1
174.04910	0.9
175.03970	0.9
187.11276	2.1
188.11601	1.7
189.09206	1.9
189.12846	0.8
190.09520	1.2
191.05627	3.7
198.35361	0.7
203.05527	0.7
205.12329	0.8
208.10602	0.9
210.82851	0.7
221.06606	2.2
241.00394	0.7
249.11269	1.0
250.11725	0.9
267.10901	1.7
272.08871	1.0
281.08444	0.8
306.07584	4.4
330.44061	0.7
339.13040	0.7
411.20255	1.4
415.23291	1.4
489.19070	0.9
518.23187	23.1
519.15039	1.4
519.23309	1.8
519.31604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03448	3.4
59.01376	51.4
61.98804	1.4
69.03453	0.7
69.26529	5.5
69.54276	0.6
71.01378	14.2
73.02937	5.9
79.02700	0.6
83.01375	3.0
83.05028	1.9
85.02937	8.5
87.00880	4.1
87.04494	0.8
89.02419	4.9
93.03422	1.3
95.01376	1.2
96.96000	1.6
97.02924	0.7
97.06575	2.4
99.00861	2.0
101.02438	13.8
105.05553	3.2
105.07099	0.9
107.05016	7.2
111.00865	2.3
113.02425	8.7
119.03490	1.9
120.05772	2.7
120.40981	0.6
120.60023	0.6
135.04518	3.4
135.11800	0.8
135.93567	0.6
141.05528	1.6
143.03473	1.7
152.04770	0.9
159.02890	0.8
159.08028	0.7
161.04555	6.9
161.09702	12.6
161.13329	6.2
163.11240	2.0
173.04524	2.7
179.05624	0.7
179.10767	1.7
185.09619	0.7
187.11258	16.7
189.09221	11.0
191.05504	2.2
203.10760	2.0
205.12312	8.3
207.10255	4.6
231.10222	0.9
249.11301	7.8
267.10638	11.8
269.13757	0.7
317.15588	0.8
354.25421	0.6
373.15039	2.0
397.22147	2.5
415.23459	1.4
457.24216	2.8
473.23499	1.3
499.21921	1.4
517.22784	100.0
518.23218	6.7
537.97809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1192
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
59.01369	1.6
61.98809	1.8
69.75122	2.0
71.01360	0.5
78.95885	0.6
85.02955	0.7
93.03423	0.9
95.01324	0.5
96.96006	4.7
96.96952	0.6
97.18984	0.5
104.64784	0.4
107.01369	0.7
110.00123	0.5
111.00869	1.8
112.31558	0.5
123.00861	2.2
124.01652	6.6
125.02413	2.2
135.04504	0.8
137.02425	0.9
139.00313	2.2
141.01923	0.7
151.00339	7.0
152.01141	58.7
153.01682	1.7
163.00328	1.9
165.01883	0.9
167.03459	0.7
173.04564	0.9
178.99837	17.1
179.03342	0.5
180.00467	0.7
181.05031	1.1
184.00151	0.8
191.03502	0.5
191.05583	1.7
193.01398	2.8
206.99545	0.6
207.02948	0.8
208.00102	51.7
209.00769	4.9
223.02460	1.0
232.12328	0.5
258.30173	0.6
302.99051	0.5
471.11169	0.5
482.37137	0.6
489.12503	0.7
517.11914	100.0
518.12164	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	517.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
57.03429	1.5
58.00591	0.7
59.01373	26.2
69.29579	1.7
69.30003	2.4
71.01377	30.3
72.99297	1.4
73.02939	12.0
75.00842	0.6
83.01385	2.2
85.02942	10.4
87.00866	1.6
89.02435	20.7
89.02992	1.0
90.02737	0.5
95.01371	2.3
97.02931	1.3
98.20570	1.0
99.00871	31.6
101.02428	13.4
109.06558	0.5
111.15311	0.4
113.02438	16.8
113.06077	0.4
119.03502	3.0
121.82996	0.5
122.03712	0.5
123.08125	0.9
125.02444	0.5
125.06013	0.7
130.16441	0.4
131.03499	2.7
136.05244	1.1
138.06833	4.3
139.07587	1.3
143.03479	1.5
149.04559	6.2
149.32990	0.4
151.07619	4.4
152.04852	0.6
152.08406	9.8
153.09195	21.7
159.02937	1.0
161.04544	11.4
161.09709	1.0
163.11266	1.8
165.09122	1.0
179.05650	0.9
189.09216	0.5
190.09927	1.1
191.05598	6.5
205.12311	21.8
206.12587	0.7
209.11725	0.6
209.26173	0.5
209.35014	0.4
223.13359	7.3
233.06528	1.3
365.14471	1.3
385.18613	14.9
386.19073	1.1
517.22809	100.0
518.23096	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	516.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09562	0.3
56.38178	0.3
59.01376	7.4
61.98826	100.0
63.14133	0.2
70.76599	0.4
70.76932	0.6
71.01384	1.1
73.02939	0.6
85.02966	0.4
93.03482	0.6
101.02448	0.9
113.02441	0.4
114.13000	0.2
133.26434	0.3
134.35101	0.3
148.54633	0.3
156.67247	0.3
161.04572	0.4
173.04572	1.2
191.05531	1.3
308.84048	0.3
327.21436	0.3
439.89987	0.3
516.25342	0.8
529.39587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1193
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
59.01372	3.6
63.19075	0.6
65.00314	0.6
68.74554	0.5
68.99796	0.7
69.77337	2.1
69.77744	1.5
71.01369	0.5
83.01392	0.8
85.02927	0.6
93.03457	2.8
95.01371	0.8
96.95999	4.9
107.01361	0.8
111.00854	2.1
111.04564	0.7
119.66550	0.6
123.00853	2.6
124.01633	6.0
125.02413	2.1
134.03662	1.0
135.04462	0.9
137.02417	1.7
139.00336	2.3
141.01915	0.6
151.00365	7.5
152.01140	55.4
153.01660	0.9
161.02353	0.7
163.00342	2.4
173.04556	4.2
178.99847	17.1
179.03346	0.6
180.00438	0.9
181.05090	1.3
182.02136	1.0
183.02876	1.0
191.05579	2.1
193.01402	3.2
193.04924	0.7
197.04477	1.8
206.99245	0.6
207.02925	1.3
208.00099	48.0
209.00786	4.3
223.02484	1.0
224.03772	0.6
343.10190	2.7
442.66730	0.7
471.11383	0.9
517.11871	100.0
518.12360	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	515.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29984	0.5
58.00591	1.7
59.01374	92.4
64.44064	0.6
69.87011	1.3
69.87426	1.6
71.05013	0.6
71.68285	0.5
78.95896	13.7
96.96965	1.0
97.90128	0.6
98.19891	1.0
129.47333	0.6
134.31102	0.5
152.98331	1.0
152.99574	17.7
153.00777	1.1
171.00635	5.8
195.17578	1.0
197.19089	19.0
223.20714	1.9
225.18636	1.2
225.22200	6.0
227.03264	2.0
227.20148	20.6
228.20740	0.7
233.18826	0.6
235.53867	0.5
241.21687	0.9
245.04277	25.5
269.21222	6.5
287.22244	100.0
288.22617	2.9
408.64410	0.6
515.26208	52.8
516.26129	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	515.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
56.72779	0.1
57.03453	0.1
58.00616	0.2
59.01372	3.9
70.84159	0.3
70.84509	0.1
71.01372	3.4
71.69222	0.1
72.99334	0.3
73.02932	0.9
75.00861	0.1
78.95963	0.1
81.03477	0.1
83.01418	0.4
85.02946	0.9
87.00892	0.4
89.02433	2.5
95.01395	0.3
97.02959	0.2
99.00904	0.2
101.02436	2.8
103.03992	0.1
113.02431	1.6
119.03484	0.8
127.04030	0.1
131.03522	0.2
133.05093	0.2
143.03555	0.2
152.99638	0.2
157.05046	0.1
161.04561	1.3
179.05606	0.5
235.08208	0.9
244.24725	0.1
253.09256	13.4
254.09590	0.3
261.22269	0.3
279.23242	100.0
280.23581	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30440	0.6
59.01375	100.0
60.01717	1.1
61.01800	0.9
61.98826	3.9
67.01895	0.7
69.03471	0.8
71.01377	14.4
71.10435	1.4
73.02951	5.5
83.01392	1.8
83.05001	0.8
85.02942	5.0
87.00877	1.9
87.04529	2.8
89.02428	4.2
93.03445	4.1
95.05027	1.0
97.02935	0.7
97.06619	0.7
99.00890	2.1
101.02437	7.5
102.98607	0.9
109.06570	0.8
111.00908	1.7
113.02435	3.9
115.03996	1.5
116.93087	0.7
119.03514	2.1
125.02467	1.0
135.04474	1.8
143.03487	1.2
157.05061	0.9
161.04573	2.5
173.04561	7.3
176.66782	0.7
179.03627	0.7
179.05663	0.8
191.05554	9.7
191.07042	0.7
203.14549	1.5
215.14403	2.1
219.13902	1.3
233.15465	1.1
236.81459	0.8
251.16597	2.2
293.17471	1.8
293.21045	1.3
311.18668	1.5
335.18735	1.9
347.18768	2.2
383.11374	1.0
395.20642	1.6
413.21777	20.5
414.22089	0.9
455.27039	1.0
473.27542	1.9
515.28381	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	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55328	0.4
53.52134	0.4
57.03452	1.1
58.00602	0.7
59.01376	100.0
61.98841	1.0
67.01898	0.5
68.99818	0.4
69.03455	0.6
71.01380	12.5
72.99312	0.8
73.02939	8.4
75.00896	0.6
78.87757	0.4
83.01361	2.5
85.02948	3.6
87.00875	1.6
89.02444	6.8
90.88821	0.4
93.03453	2.0
95.01381	1.1
97.02944	0.9
98.20636	1.0
99.00904	2.6
101.02430	11.4
109.02893	0.5
113.02439	5.3
115.04018	1.0
119.03505	4.4
125.02451	1.0
127.03970	0.6
131.03531	0.5
135.08231	0.7
136.30615	0.4
143.03519	1.5
147.08156	2.1
155.03577	0.6
157.05067	1.1
159.08104	0.5
161.04523	4.0
173.04510	2.4
179.05565	1.5
191.05579	5.2
203.05522	0.5
203.14439	1.8
215.14435	1.4
219.13942	0.8
221.15523	1.3
229.52853	0.6
233.15466	2.9
245.15518	1.1
251.16570	0.7
287.16666	0.9
293.17615	1.0
335.18677	1.7
347.18790	1.0
352.10150	0.4
355.16602	0.5
395.20728	2.0
413.21756	18.3
414.22263	1.1
455.22897	1.2
473.28027	0.5
497.28122	0.5
515.28583	9.3
516.28748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.21474	0.6
59.01375	100.0
61.98820	1.2
68.99549	0.5
69.53129	4.0
69.64804	0.5
71.01375	15.1
72.99304	1.1
73.02943	8.8
75.00870	0.8
81.03455	0.7
83.01388	1.8
83.05037	1.2
85.02947	5.1
87.00874	1.3
87.04458	0.7
89.02442	5.8
93.03472	1.9
95.01405	1.3
95.05042	1.1
97.02953	1.0
99.00901	2.3
101.02434	10.5
109.02969	0.6
113.02441	4.9
115.04044	1.5
119.03490	4.1
125.02471	1.3
137.14481	0.5
143.03502	1.3
151.00464	0.6
157.05095	1.3
161.04536	3.3
162.41179	0.5
173.04510	3.2
179.05586	1.0
191.05602	5.5
215.14423	3.7
219.13882	1.1
233.15587	1.1
251.16541	2.9
276.46060	0.6
293.17627	1.9
311.18973	0.6
335.18555	2.9
347.18750	2.3
365.19812	0.8
395.20837	2.8
413.21771	28.6
414.22241	1.8
455.23093	1.5
458.01834	0.6
475.74091	0.6
515.20697	1.0
515.28607	12.7
516.29071	1.0
537.91925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17231	0.2
56.59875	0.2
59.01377	10.6
61.98820	0.9
63.33292	0.2
67.01885	0.3
68.02433	0.2
69.03450	0.3
71.01376	2.7
71.63417	0.3
73.02945	3.2
78.95901	0.4
79.95733	2.5
81.03463	0.3
83.01387	1.3
85.02962	1.1
86.75182	0.2
87.00906	0.3
87.95486	0.2
89.02442	0.8
93.03456	2.9
95.01380	0.3
96.96006	100.0
97.95950	0.3
101.02441	3.4
105.70098	0.2
108.02246	0.2
111.00816	0.3
111.04517	0.7
113.02440	1.3
114.26781	0.2
114.93362	0.3
116.92800	0.3
117.51929	0.2
117.69485	0.2
119.03510	0.5
125.02403	0.2
127.04016	0.3
127.11520	0.2
133.02951	0.9
134.03757	0.5
135.04518	8.9
137.02441	0.8
142.74675	0.2
149.04538	0.7
155.03497	1.9
161.02452	3.2
161.04568	0.9
173.04530	10.2
174.04860	0.3
179.03485	7.5
187.27637	0.2
190.46945	0.2
191.05611	7.7
191.07347	0.4
199.13327	0.5
200.13971	0.2
243.12294	0.4
251.07141	0.2
323.05481	0.3
325.16498	0.2
335.07843	1.1
353.08771	8.2
354.09097	0.5
417.17834	1.2
515.11859	4.3
516.12122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01374	31.7
61.98827	7.2
67.01872	3.8
67.46467	0.7
68.73158	0.6
69.03458	1.8
69.50984	4.9
71.01379	7.4
72.40524	0.7
73.02947	4.5
78.95901	2.1
79.95741	2.1
81.03432	1.1
83.01374	2.0
83.05025	2.6
85.02944	8.4
87.00884	2.6
89.01914	0.7
89.02444	2.2
93.03445	25.4
96.96003	78.8
98.20601	0.9
98.95576	0.8
99.04467	0.7
101.02425	4.6
107.05033	2.2
109.02956	2.2
111.00880	1.6
111.04516	8.2
113.02450	3.9
113.44280	0.6
116.92890	1.8
119.03603	0.8
127.04003	2.3
128.03490	0.6
133.02943	11.1
134.03745	5.7
135.04515	98.6
136.04852	2.4
137.02440	8.6
143.03481	0.9
144.01459	0.7
152.99554	1.8
155.03500	13.8
161.02425	33.8
161.04535	1.4
162.02795	1.1
163.11317	0.7
173.04530	100.0
174.04884	2.7
179.03476	86.7
180.03847	1.6
191.05592	75.6
192.05901	1.8
199.13356	1.8
203.03470	2.2
207.10187	0.7
211.07607	0.9
251.07123	1.1
251.40327	0.6
279.06320	0.7
297.36041	0.8
299.05521	1.1
312.12473	0.7
317.06735	0.7
323.05664	1.9
335.07678	12.9
353.08725	96.7
354.08960	4.6
497.11020	0.7
515.11938	45.6
515.18713	2.5
516.11957	4.2
516.27887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26868	0.3
57.03459	0.4
59.01374	2.1
59.36145	0.3
61.98828	0.8
67.01886	0.5
69.03441	0.5
69.65418	0.8
69.65842	1.2
71.01376	1.3
73.02925	0.6
83.05028	0.5
85.02435	0.5
85.02950	10.0
87.00855	2.1
93.03452	3.4
96.96004	4.6
96.96935	0.4
101.02435	0.3
109.02959	1.7
109.83405	0.3
111.00858	0.6
111.04533	1.0
113.02441	0.4
117.03453	1.2
122.07267	0.4
125.02431	0.4
126.90408	0.5
127.03976	2.7
132.02148	1.3
133.02950	7.3
135.04498	4.1
160.01668	3.1
161.02431	49.4
162.02802	1.6
171.02963	0.5
173.04495	2.0
176.01161	0.6
176.76509	0.3
177.01828	0.4
179.03485	3.6
191.05592	100.0
192.05945	2.6
201.35381	0.3
221.04459	0.5
268.10150	0.4
311.07654	0.4
323.07675	37.6
324.07956	1.9
341.08694	1.8
342.92386	0.3
353.08743	3.3
510.18579	0.3
515.13965	40.4
516.14484	3.5
516.26599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59478	0.3
51.67947	0.3
52.64925	0.3
54.13764	0.3
57.03446	0.4
59.01379	1.5
60.99298	0.7
67.01891	2.8
69.03436	0.8
70.76222	0.6
71.01375	1.3
75.55580	0.3
81.03448	0.7
82.15058	0.3
83.05015	0.7
85.02942	5.0
87.00866	4.1
89.02428	0.3
93.03451	16.9
94.03757	0.4
95.16794	0.3
96.96001	4.7
96.96980	0.4
99.00858	0.4
101.02435	0.6
109.02948	0.9
111.04509	2.3
113.02425	0.5
127.03996	1.5
129.01936	0.5
133.02939	1.3
134.03708	0.7
135.04514	16.5
136.04828	0.5
137.02489	0.3
155.03482	0.6
161.02426	8.4
171.03012	0.3
173.04507	5.3
177.05624	0.7
179.03479	14.0
180.03854	0.4
182.14223	0.3
191.05591	100.0
192.06000	2.0
221.04601	0.6
241.17757	0.3
311.07684	0.7
323.07660	0.9
341.08813	0.5
351.84973	0.4
353.08719	10.4
354.09286	0.5
395.09753	2.2
406.60202	0.4
457.66498	0.3
515.13989	56.8
516.14337	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	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
59.51132	0.3
61.98841	0.3
67.01891	0.6
69.96496	1.4
71.01361	1.1
72.99315	0.3
78.28389	0.3
83.04982	0.3
85.02943	9.5
87.00879	2.4
90.56985	0.3
93.03451	6.1
95.33704	0.3
96.95998	1.5
99.04509	0.4
101.74059	0.3
109.02943	0.9
111.00877	0.3
111.04476	1.4
117.03468	1.2
123.04506	0.3
123.39859	0.3
127.04007	2.2
132.02162	1.2
133.02946	6.4
135.04526	5.3
137.02426	0.3
142.57387	0.3
160.01651	2.3
161.02429	47.3
162.02774	1.5
171.02979	0.5
173.04559	2.1
179.03461	5.8
191.05591	100.0
192.05960	2.4
215.59767	0.4
221.04428	0.3
323.07675	42.7
324.07990	2.5
341.08746	2.5
353.08691	3.1
356.77286	0.3
515.14001	34.4
516.14435	2.7
544.94110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01378	1.1
60.99267	0.5
65.03956	0.3
67.01892	1.8
69.03456	0.3
70.16269	1.0
71.01385	1.4
75.37218	0.3
78.24488	0.2
81.03458	0.5
83.01377	0.2
85.02941	4.5
87.00867	3.0
89.02445	0.5
93.03448	11.9
94.25926	0.3
96.96001	0.6
99.00900	0.3
109.02985	0.5
111.04519	1.7
113.02441	0.4
127.04016	1.2
128.03545	0.3
129.02016	0.2
133.02927	0.8
134.03741	0.3
135.04521	9.2
147.08472	0.2
154.16309	0.3
155.03476	0.4
161.02437	3.8
171.02959	0.4
173.04543	3.7
179.03479	8.2
181.01477	0.2
191.05597	100.0
192.05978	2.3
204.03423	0.3
255.40564	0.2
323.07697	1.0
341.08194	0.5
341.11389	0.4
353.08719	15.6
354.08972	1.1
459.74191	0.3
515.14026	20.9
516.14386	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	515.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54773	1.5
56.66719	1.4
59.01366	9.0
67.01876	3.3
69.32954	13.4
70.85117	1.7
71.01369	10.4
78.95895	6.2
85.02949	26.1
87.00859	3.4
88.04035	3.3
89.02459	9.2
93.03451	17.5
96.96946	19.8
99.00845	1.4
100.19864	1.5
101.02433	2.9
111.00879	1.6
111.04501	3.0
113.02412	3.8
119.03505	3.1
127.03989	1.9
129.01929	13.9
130.05063	2.7
133.02898	2.8
134.03711	1.8
135.04521	21.1
137.02422	1.8
142.99821	2.1
155.03462	1.9
159.93230	1.6
161.02438	13.1
172.89905	14.8
173.00896	10.5
173.04518	25.9
174.07629	2.4
179.02042	2.1
179.03468	23.9
179.05557	3.9
191.05592	100.0
323.07712	9.6
341.11136	19.8
353.08716	19.7
379.08234	2.2
515.13971	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36469	0.1
59.01377	0.3
61.98826	100.0
62.99259	0.1
69.34334	0.6
69.34740	0.3
73.24699	0.1
78.96306	0.1
90.17189	0.1
163.78450	0.1
191.05656	0.2
264.64716	0.1
454.33847	0.3
514.32697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69964	1.3
58.00601	1.7
59.01373	45.9
69.17365	1.2
70.24318	3.1
70.24642	1.4
71.01377	38.2
72.99295	3.4
73.02921	2.0
75.00881	1.9
77.88562	1.1
82.83761	1.4
83.01373	1.8
83.91161	1.2
85.02942	10.8
87.00870	3.8
89.02434	44.0
95.01399	1.5
96.96024	1.7
96.96941	3.6
99.00850	4.0
101.02431	17.1
111.00898	1.9
112.98803	12.5
113.02431	14.3
115.00314	2.6
119.03477	15.9
124.98797	1.4
125.02402	1.3
129.01894	5.9
131.03441	2.1
142.99861	13.3
143.03485	4.8
149.04539	1.6
161.04561	5.9
171.87082	1.4
172.89996	3.7
173.00887	8.4
173.04507	4.7
175.02472	1.4
179.04070	1.9
179.05600	19.9
186.31644	1.3
191.05573	4.1
202.90567	1.3
216.91464	1.2
224.12686	1.2
261.25705	1.3
341.10837	100.0
342.11099	3.6
419.07733	1.5
466.27490	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	514.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01377	4.2
60.99279	0.5
61.98828	1.5
67.01886	4.8
69.03449	1.1
71.01370	3.7
71.31065	0.3
73.02947	0.5
73.55357	0.3
81.03445	4.4
83.05019	16.5
85.02933	1.0
86.02479	1.0
87.00874	1.1
93.03448	26.5
94.03759	0.3
96.96001	0.4
99.04510	0.4
101.02423	0.4
101.06078	2.1
109.02940	0.7
111.00859	1.2
111.04507	4.8
113.02411	0.7
115.07616	0.4
127.04002	1.3
127.11282	1.8
137.02422	5.0
142.08739	1.5
145.05043	6.5
155.03493	4.5
159.52489	0.3
169.12343	1.8
173.04523	100.0
174.04822	1.9
181.12358	0.5
182.15460	0.4
188.09241	3.8
191.05609	2.5
206.49675	0.3
212.16475	0.3
225.18681	0.3
234.94951	0.3
242.13994	1.8
292.19281	0.8
322.20068	2.1
340.17148	0.6
340.21210	10.8
341.21729	0.4
373.10248	0.3
411.06674	0.3
514.26563	10.8
515.27344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01370	5.1
60.12194	0.3
60.99303	0.7
61.98827	2.4
64.22980	0.2
65.03955	0.2
67.01884	4.8
69.03444	1.0
69.30096	2.6
71.01375	2.9
71.05012	0.6
73.02944	0.4
81.03448	5.1
83.05017	16.0
85.02948	1.3
86.02473	1.1
87.00871	1.1
93.03446	29.5
94.03777	0.4
96.96051	0.3
98.20605	0.6
99.04547	0.3
100.07703	0.3
101.02449	0.4
101.06060	1.9
109.02934	0.9
111.00864	0.7
111.04510	5.2
113.02434	0.4
115.07631	0.4
127.04008	1.2
127.11264	1.0
134.28236	0.3
137.02423	4.3
142.08702	1.7
144.10234	0.4
145.05040	5.4
153.12804	0.4
155.03491	4.3
159.04434	0.3
169.12396	1.5
173.04524	100.0
174.04898	1.6
176.21481	0.3
181.12425	0.4
182.15483	0.5
188.09264	3.8
191.05588	3.7
194.20561	0.3
212.16435	0.5
215.07085	0.5
242.13976	1.2
253.08699	0.4
292.19107	0.5
322.20151	1.7
340.21194	9.5
341.21680	0.6
514.26489	13.2
515.26849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01373	18.7
59.35374	0.5
60.01702	0.6
61.98824	6.5
67.01882	1.2
69.03458	0.6
69.49078	2.0
69.49485	1.6
71.01379	4.3
71.05015	3.6
73.02930	1.9
79.18052	0.5
81.03453	23.3
82.85261	0.5
83.05021	100.0
84.05343	0.9
85.02957	3.4
86.02463	5.4
87.00871	1.8
87.04504	1.1
89.02473	0.7
93.03452	11.1
96.96014	1.3
97.06585	2.2
100.07700	0.7
101.02435	2.0
101.06075	15.7
103.04016	4.0
109.02956	1.2
111.00902	0.7
111.04515	7.5
113.02433	1.7
114.09243	1.7
115.07644	3.7
127.04015	7.0
127.11293	8.7
137.02455	1.9
137.09721	0.7
139.07635	1.0
142.08720	9.3
144.10316	2.1
145.05058	37.7
146.05418	0.8
153.12836	2.3
155.03488	7.1
157.08762	0.9
161.02487	0.6
161.09691	1.5
164.14517	1.0
169.12340	12.0
170.08212	2.1
173.04529	32.0
174.04877	1.5
176.10811	1.4
179.03435	0.8
180.69182	0.7
181.12305	5.3
182.15466	2.8
188.09276	26.5
188.11723	1.1
189.09418	0.7
191.05586	13.0
192.05968	1.5
199.09727	0.8
199.13434	1.9
201.11293	0.7
203.07178	1.7
206.12700	0.8
206.15489	1.2
209.11752	0.7
212.16583	2.1
220.17067	1.0
224.12830	0.7
242.13943	9.7
248.20180	0.8
283.13394	1.0
292.19156	4.6
322.20203	10.7
340.21240	70.8
341.21600	4.4
399.65500	0.7
491.70380	1.6
504.71582	1.4
514.26654	31.4
515.26465	3.0
544.17548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01288	25.0
59.01623	4.1
61.98737	3.6
65.26997	0.6
67.01832	0.7
67.30452	0.5
70.76925	0.8
71.01285	5.7
71.04913	2.0
71.05270	0.7
71.42136	0.6
73.02851	4.7
73.03286	1.1
79.35767	0.5
81.03356	6.5
81.03867	0.7
83.01304	1.2
83.04922	39.9
83.05470	3.3
85.02831	1.9
87.00781	1.1
89.02335	1.8
93.03447	9.0
94.92284	0.5
96.95903	1.9
97.06491	0.6
99.00790	0.6
101.02330	4.2
101.05946	0.7
109.02876	0.7
111.04513	7.3
112.46703	0.5
113.02428	2.7
113.09724	2.8
114.09126	1.7
115.07633	14.2
119.03424	1.1
123.48497	0.5
127.03988	6.0
128.10736	0.6
128.69804	0.5
131.03386	0.7
135.04437	1.0
135.08104	0.9
137.02354	1.0
137.09566	2.1
139.07639	42.2
139.11160	1.6
140.07947	1.1
140.10681	0.6
143.03392	1.1
143.07027	0.7
149.93060	0.5
153.12766	0.9
155.03485	5.5
156.10291	15.0
157.08682	54.4
158.08957	1.0
158.11835	16.4
161.04410	1.6
161.05678	0.6
164.10725	0.8
173.04535	30.1
174.04648	0.8
178.29956	0.5
179.03403	0.7
180.13828	2.1
181.08597	0.6
181.12318	9.0
183.10188	2.1
186.11263	1.1
187.11192	1.2
191.03973	0.8
191.05573	11.8
199.09743	27.9
199.13348	2.2
200.09961	1.0
206.11781	1.1
224.12877	10.9
242.13931	9.8
243.14215	0.6
256.28992	0.6
269.17053	0.6
312.40039	0.6
322.20200	0.9
340.21231	100.0
341.21521	5.8
353.08789	0.8
514.26654	29.4
515.27069	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	514.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12637	0.2
57.03438	0.7
59.01376	3.8
59.85725	0.2
60.99296	0.8
61.98827	0.6
67.01888	4.5
69.03436	0.7
70.63680	0.3
70.64017	0.5
71.01384	3.0
71.05012	0.4
73.02937	0.5
81.03455	1.6
83.05019	7.0
83.72723	0.2
84.67420	0.2
85.02937	0.7
87.00855	0.4
89.02434	0.2
93.03450	24.0
94.03763	0.3
96.95991	0.4
101.02425	0.4
109.02954	0.8
111.00871	0.9
111.04504	4.6
113.02451	0.4
113.09743	0.6
114.09294	0.3
115.07632	2.5
127.03998	1.2
134.03783	0.2
137.00691	0.2
137.02438	4.6
139.07637	7.1
140.10806	0.3
155.03496	4.6
156.10274	2.6
157.08690	8.5
158.11864	2.5
173.04529	100.0
174.04871	2.4
180.14001	0.4
181.12268	1.4
183.10262	0.4
187.07600	0.3
191.05606	3.4
199.09723	3.9
199.13336	0.4
200.68381	0.2
224.12915	1.7
242.13934	1.6
247.54292	0.3
258.85513	0.3
340.21246	16.7
341.21555	0.7
514.26581	8.5
515.27124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76770	0.0
55.01867	0.2
57.03442	0.1
58.00581	0.2
59.01373	5.6
63.60085	0.0
69.03456	0.1
71.01375	4.4
71.20385	0.1
72.99304	0.4
73.02944	0.8
78.95892	0.8
81.03454	0.1
83.01374	0.6
83.01778	0.1
83.05035	0.2
85.02939	0.9
87.00360	0.1
87.00858	0.6
89.02436	3.4
91.04018	0.2
95.01370	0.4
96.96976	0.1
97.02972	0.2
97.06610	0.1
99.00867	0.3
99.04523	0.1
101.02433	4.5
103.04041	0.1
113.02442	1.9
113.03222	0.1
115.03997	0.1
119.03489	1.0
119.04284	0.1
125.02475	0.2
127.07664	0.2
129.01927	0.1
130.81691	0.0
131.03516	0.2
133.05077	0.3
143.03487	0.4
144.63614	0.0
145.05029	0.1
149.04550	0.1
152.99577	1.5
153.00772	0.1
157.05118	0.2
161.04539	1.8
171.00639	0.1
179.05586	0.5
181.06802	0.0
205.19592	0.1
225.86812	0.1
227.44983	0.1
233.22675	0.3
235.08182	1.1
253.09254	16.5
254.09654	0.5
259.20572	0.3
275.20044	0.4
277.21677	100.0
278.22012	5.3
278.25201	0.1
282.13214	0.1
431.21829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32132	0.5
55.83640	0.6
57.03445	0.6
59.01375	11.0
61.98833	4.2
67.01878	1.0
69.03466	0.9
71.01379	3.8
71.05013	2.3
73.02927	1.7
81.03452	22.8
83.01388	0.6
83.05021	100.0
84.05352	1.2
85.02951	2.1
86.02471	5.8
87.00837	0.9
89.02438	0.7
93.03448	9.5
97.06577	1.6
100.07658	1.4
101.02415	1.1
101.06081	14.7
109.02922	0.7
111.04510	6.7
113.02431	0.6
114.09237	1.3
115.07613	3.7
119.03561	0.7
126.09118	0.5
127.04021	6.8
127.11280	8.1
135.04561	0.6
137.02435	1.9
137.09630	0.6
139.07657	1.3
142.08723	9.8
144.10245	2.8
145.05057	37.7
153.12828	2.5
153.70262	0.6
155.03488	7.9
157.08717	1.2
158.11864	0.6
163.11217	0.7
164.14452	1.2
169.12328	13.1
170.08223	1.7
172.05255	0.5
173.04532	37.5
174.04968	1.2
176.10756	0.8
179.41232	0.6
181.12325	5.0
182.15530	3.0
182.66071	0.5
188.09265	29.4
191.05595	8.1
191.18085	0.6
199.13414	2.3
212.16539	2.3
234.18448	0.9
242.13957	8.3
248.20247	1.3
292.19144	4.1
322.20187	11.9
323.20270	0.7
329.81076	0.6
340.21246	73.2
341.21692	4.1
393.24533	0.6
409.99832	0.6
451.15027	0.7
514.26550	30.0
515.26556	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
56.49150	0.0
57.03451	0.2
58.00609	0.2
58.19738	0.0
59.01373	5.9
62.67833	0.1
67.01913	0.1
69.03459	0.1
70.22065	0.2
71.01375	4.6
72.66956	0.1
72.99303	0.3
73.02942	1.0
73.55015	0.1
81.03478	0.1
83.01382	0.5
83.05033	0.2
85.02940	1.2
87.00873	0.5
89.02438	3.5
91.04042	0.2
95.01366	0.3
97.02947	0.2
99.00886	0.2
101.02436	4.2
103.04044	0.1
113.02438	1.9
115.04004	0.1
119.03490	0.9
123.78185	0.1
125.02473	0.2
127.07639	0.2
131.03496	0.2
133.05058	0.4
141.09181	0.1
142.15636	0.1
143.03479	0.5
145.04990	0.1
149.04564	0.1
157.05075	0.2
161.04541	1.5
179.05602	0.5
183.13873	0.1
205.19537	0.1
233.22769	0.3
235.08191	1.0
253.09261	14.7
254.09677	0.4
259.20551	0.4
275.20074	0.4
277.21680	100.0
278.22031	5.5
314.64883	0.1
410.68765	0.1
519.96088	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	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67349	1.2
59.01376	100.0
59.75819	1.3
61.98831	19.3
67.01888	3.2
69.03448	2.3
71.01376	24.6
71.05011	5.4
71.63367	1.9
72.45445	1.2
73.02938	13.2
78.95898	1.4
81.03465	18.7
83.01376	5.8
83.05019	77.0
85.02953	15.0
86.02480	4.3
87.00873	8.9
89.02457	6.6
93.03453	27.2
93.04000	2.4
94.03785	4.1
95.01373	2.3
95.05008	1.3
96.95989	5.2
97.02933	1.3
97.06591	4.6
99.00860	3.0
99.16853	1.3
101.02441	15.0
101.06087	10.9
106.27235	1.4
107.05024	7.1
109.02958	2.5
111.00921	1.9
111.04519	8.2
113.02437	10.5
115.07645	2.7
119.03474	2.8
120.05804	2.8
127.04031	8.4
127.11285	6.1
135.04504	4.6
137.02444	4.8
142.08711	6.7
143.03537	1.7
144.10292	2.2
145.05055	31.4
152.04750	1.6
155.03491	7.5
157.08653	2.8
161.04491	7.0
161.09711	14.2
161.13338	8.1
163.11319	1.6
169.12338	9.6
170.08206	1.8
171.10252	1.6
173.04535	53.1
174.03207	2.2
174.04861	5.0
176.96907	8.5
179.10738	3.9
181.12367	4.0
182.15385	1.7
187.11269	18.4
188.09271	15.6
189.09210	12.5
191.05602	58.8
192.05902	4.5
201.11284	3.8
203.10751	1.5
205.12321	10.5
207.10355	2.9
209.11819	4.7
212.16383	1.6
231.10233	2.2
242.13927	6.6
249.11229	6.6
267.12360	2.3
281.10345	2.8
283.13342	10.1
292.19189	3.2
301.14355	1.9
309.14960	2.6
322.20090	7.2
327.16165	2.5
340.21222	50.0
341.69168	1.5
345.17169	1.8
358.50861	1.4
399.14792	2.5
450.14877	7.7
453.24969	1.6
469.20993	2.1
491.20413	8.5
491.70416	3.6
495.21039	3.8
504.21036	12.0
504.71506	4.4
513.23395	75.7
514.26642	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	511.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58076	0.7
57.03448	1.1
59.01373	8.8
61.98817	2.7
67.43916	0.8
69.03445	1.3
71.01367	1.1
71.63103	1.2
73.02933	1.2
78.95899	11.5
83.05014	2.5
85.02947	1.7
93.03448	3.1
96.96004	4.2
99.08147	10.8
101.02412	0.8
110.98523	7.4
117.52414	0.8
121.10214	1.7
125.09698	3.4
131.03670	0.9
135.08211	0.8
137.09702	1.6
139.11401	0.7
149.13354	0.9
151.00371	0.8
152.99519	1.9
163.02499	1.0
163.11330	1.2
165.12869	1.6
167.01089	3.8
170.17607	0.8
171.10263	13.3
173.04549	4.1
179.33720	1.1
185.02179	6.9
185.11807	0.8
191.05632	7.0
193.10651	1.5
193.12332	21.1
209.11789	9.1
211.13380	5.1
225.14937	27.7
227.12845	1.5
243.15973	10.6
243.18280	1.6
271.02432	0.9
293.21198	2.2
299.01920	1.5
300.02753	5.2
343.24841	100.0
344.25226	5.1
511.26685	69.9
512.27081	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	511.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58076	0.7
57.03448	1.1
59.01373	8.8
61.98817	2.7
67.43916	0.8
69.03445	1.3
71.01367	1.1
71.63103	1.2
73.02933	1.2
78.95899	11.5
83.05014	2.5
85.02947	1.7
93.03448	3.1
96.96004	4.2
99.08147	10.8
101.02412	0.8
110.98523	7.4
117.52414	0.8
121.10214	1.7
125.09698	3.4
131.03670	0.9
135.08211	0.8
137.09702	1.6
139.11401	0.7
149.13354	0.9
151.00371	0.8
152.99519	1.9
163.02499	1.0
163.11330	1.2
165.12869	1.6
167.01089	3.8
170.17607	0.8
171.10263	13.3
173.04549	4.1
179.33720	1.1
185.02179	6.9
185.11807	0.8
191.05632	7.0
193.10651	1.5
193.12332	21.1
209.11789	9.1
211.13380	5.1
225.14937	27.7
227.12845	1.5
243.15973	10.6
243.18280	1.6
271.02432	0.9
293.21198	2.2
299.01920	1.5
300.02753	5.2
343.24841	100.0
344.25226	5.1
511.26685	69.9
512.27081	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	511.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94710	0.5
55.01878	1.3
57.03440	1.5
58.00589	1.4
59.01374	100.0
60.01717	0.9
61.98824	6.2
64.18122	0.5
68.90408	0.5
69.03453	1.1
69.32166	1.1
69.32568	3.8
71.01376	41.0
71.05009	0.8
71.56633	0.5
71.57034	0.5
72.99310	1.6
73.02943	43.8
73.46275	0.5
75.00879	0.7
77.68935	0.5
78.95915	1.4
80.96526	1.7
81.03455	0.7
83.01382	15.2
83.05036	0.5
85.02943	8.8
87.00878	2.5
87.04504	5.5
88.98807	0.6
89.02433	14.4
93.03468	1.5
95.01387	2.7
96.95990	2.8
97.02966	1.2
97.36484	0.5
99.00894	1.9
99.04530	1.8
101.02434	46.0
103.19960	0.6
113.02440	18.1
119.03486	6.0
119.04215	0.7
121.06516	0.6
123.08153	1.0
125.02450	1.6
127.04025	2.1
131.03470	3.5
135.04460	0.6
141.09302	0.6
143.03519	4.7
149.04561	3.5
149.05745	0.6
150.06808	0.8
151.07668	0.7
152.04774	1.1
152.99602	2.4
155.03523	2.0
161.04539	9.6
161.05923	1.0
167.07159	2.1
168.07898	15.3
173.04535	3.4
179.05611	1.5
187.07658	1.1
191.05588	2.6
191.67633	0.6
201.09152	5.6
203.05736	0.8
207.02470	0.8
221.04630	0.6
221.06696	1.0
225.00806	0.9
229.12457	0.9
229.16037	1.4
241.12303	0.6
253.16064	0.6
256.14743	1.4
271.17023	8.7
271.19733	0.8
272.03110	0.7
272.17453	0.7
273.14923	0.6
275.16550	1.0
289.18042	2.5
300.02716	0.6
301.03296	1.9
302.03870	0.8
369.44534	0.6
386.86026	0.5
433.22211	15.8
434.22391	0.7
448.09879	1.5
451.23328	9.1
451.28845	0.9
469.24814	0.9
478.22443	0.6
493.24316	29.8
494.24738	2.7
511.18042	2.6
511.25558	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	511.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03443	2.1
58.00599	0.8
59.01374	100.0
60.01698	0.4
61.98824	0.9
69.03458	0.9
71.01376	26.5
71.22966	0.6
72.99312	1.7
73.02940	29.5
75.00871	0.3
75.29037	0.3
80.96511	0.3
83.01379	10.5
83.01869	0.6
85.02944	6.3
86.10124	0.3
87.00887	1.5
87.95453	0.3
89.02441	10.1
89.02986	0.6
93.03477	0.8
95.01398	2.4
97.02969	0.8
99.00863	1.7
99.04521	0.3
101.02438	30.1
109.25732	0.3
111.00868	0.5
113.02448	12.7
119.03489	4.1
123.08208	0.5
125.02471	1.2
131.03462	1.5
135.04523	1.6
136.05298	1.1
143.03453	1.8
143.62912	0.3
149.04535	1.9
151.07664	1.1
155.03546	1.0
159.04555	0.4
161.04549	5.0
161.05861	0.4
167.07126	1.1
168.07909	11.7
169.08322	0.4
173.04602	0.8
175.07710	0.6
176.08542	0.3
177.09196	0.5
179.05656	0.8
189.77502	0.4
191.05649	0.8
203.05640	0.6
204.11520	0.5
215.10815	0.9
216.92033	0.4
221.06714	0.7
227.14543	0.4
243.17500	0.5
253.15938	4.6
254.16293	0.6
271.16995	12.0
272.17386	0.8
273.14972	0.5
289.18033	5.1
399.40854	0.3
415.21545	0.6
421.22342	0.3
424.21136	1.4
433.22247	22.3
434.22775	1.2
439.23752	0.9
451.23303	26.1
452.23679	2.0
475.23407	2.3
481.24707	1.2
493.24365	9.6
493.31311	0.6
494.25351	0.8
511.18323	0.7
511.25632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03445	1.8
59.01375	100.0
61.98826	1.6
71.01377	33.1
71.39698	1.6
72.99299	1.9
73.02530	1.7
73.02938	31.3
83.01388	9.8
85.02950	8.9
87.00852	2.8
88.38036	0.8
89.02437	15.8
93.03429	1.0
95.01369	2.2
96.71745	0.7
97.02917	1.0
99.00904	1.3
101.02436	35.0
113.02439	16.3
119.03515	8.3
122.03731	5.9
125.02435	1.6
131.03479	2.3
133.94305	0.8
136.05315	5.6
137.06065	9.1
138.06895	1.1
143.03499	4.4
149.04529	4.8
149.06029	0.9
151.07616	2.1
161.04576	8.0
163.05678	0.9
166.07088	0.8
168.07898	22.1
173.04459	1.3
174.97227	2.0
179.05585	2.6
189.09238	3.8
203.10794	1.7
204.11514	1.8
221.06570	1.3
259.17010	5.4
271.16861	1.7
277.17987	4.4
289.17847	1.0
319.19336	1.5
403.21008	4.4
421.22260	21.7
422.22473	1.2
433.22314	2.3
439.17670	1.5
439.23322	20.0
440.23584	1.7
451.23325	27.0
452.23447	2.5
463.23257	2.9
469.24484	6.9
481.24368	40.3
482.24680	3.6
511.18600	1.3
511.25388	21.5
512.25952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2544
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01879	1.3
57.03436	1.3
58.00579	1.3
58.76693	0.5
59.01376	100.0
60.01723	0.7
65.34795	0.6
69.03456	1.6
69.77398	0.6
71.01378	34.4
71.05026	1.8
71.39611	1.1
72.99315	1.8
73.02942	40.4
75.00861	0.7
80.96521	0.9
81.03468	0.7
83.01382	13.6
83.06840	0.5
85.02935	7.3
87.00882	1.9
87.04507	11.9
89.02438	14.6
95.01376	3.1
97.02954	1.2
98.81965	0.6
99.00884	1.4
99.04521	1.7
101.02437	43.5
109.02956	0.6
109.35674	0.6
113.02444	17.0
119.03478	6.1
123.08124	0.9
125.02469	1.8
127.04008	3.0
130.40504	0.6
131.03481	3.9
137.06114	0.7
139.07626	0.9
141.09271	0.9
143.03477	4.0
149.04579	4.3
149.62231	0.6
151.07655	0.7
152.18591	0.5
155.03497	0.8
161.04544	9.6
161.05910	1.1
164.08545	0.5
166.06442	0.8
167.07120	1.5
168.07898	7.1
175.07614	1.3
179.05698	1.7
182.52463	0.7
187.07625	1.2
201.09175	3.9
203.05554	0.9
215.10728	1.0
221.06641	1.3
227.10808	0.8
229.12312	0.9
229.16017	1.1
245.19119	0.8
256.14670	1.1
271.17017	7.6
271.19785	0.8
273.18970	0.8
289.18008	2.8
301.96457	0.7
307.19125	1.0
407.24426	1.2
418.20139	0.6
421.22363	2.7
425.25449	3.2
433.22223	9.9
434.22461	0.9
451.23294	12.3
452.23788	1.3
469.24429	2.9
481.24600	1.2
493.24402	28.9
494.24866	2.1
511.18567	3.1
511.25677	13.7
512.25946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.3
61.98824	100.0
69.42363	0.8
75.00876	1.8
85.02946	1.8
96.96014	1.1
113.02426	1.6
125.02403	1.1
133.02992	1.3
133.28497	0.9
135.04594	1.0
139.54434	0.8
144.02963	0.8
151.00313	1.6
169.88614	0.9
191.05492	1.2
198.54752	0.8
203.98613	0.8
209.11787	3.5
227.03468	27.5
228.03894	1.7
229.04948	1.6
255.02956	41.2
256.03580	5.5
284.03226	51.3
285.03961	15.6
447.09262	98.9
448.09741	6.5
449.27463	1.3
473.56476	1.0
477.19925	2.8
478.20068	1.3
509.22522	1.3
510.22470	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73270	0.6
61.98823	15.5
65.00328	1.1
71.86223	0.5
73.68829	0.5
83.01369	0.6
87.89811	0.7
89.75024	0.6
107.01368	2.3
108.02209	0.8
109.02938	1.2
121.02952	2.1
133.67676	0.6
135.00822	0.8
140.92422	0.7
146.28831	0.6
151.00362	10.5
163.00365	2.9
178.99825	5.1
183.04413	0.7
211.03954	1.2
227.03461	2.2
229.04939	1.4
239.03427	0.6
243.02950	5.3
245.04527	1.4
254.02263	1.5
254.58569	0.7
255.02945	14.8
256.03363	1.2
271.02441	31.8
272.02921	2.2
273.04080	0.8
283.02426	1.8
299.01926	0.6
300.02719	69.5
301.03473	52.4
302.03821	2.2
447.09259	100.0
448.09601	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	509.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	72.6
61.98840	3.6
69.03475	1.3
71.01376	9.3
71.62926	1.5
73.02937	4.0
78.95910	4.2
78.98594	4.1
78.99454	0.8
79.95734	6.8
80.96510	44.8
83.01374	1.4
83.04990	0.9
84.02154	2.1
85.02955	4.3
87.00876	3.2
89.02426	1.7
93.03436	1.3
94.98082	9.1
96.95987	2.7
97.02910	1.6
97.06580	2.6
99.00832	0.8
99.04483	1.4
101.02428	6.2
106.98051	2.3
109.06590	0.8
110.98515	2.2
113.02425	2.0
116.66328	0.8
121.02937	3.3
122.97575	3.7
125.02406	3.2
127.04008	1.4
134.97578	3.1
135.04517	0.9
144.71875	0.8
148.99164	4.1
150.40300	0.9
152.98579	4.5
152.99632	2.6
161.04565	1.0
162.06830	3.2
164.04819	3.5
164.98621	8.4
165.12682	0.8
166.99849	0.8
171.10211	4.2
173.04561	2.5
177.09149	0.8
179.07120	46.9
180.07436	1.6
182.99615	1.8
183.13947	1.3
185.02176	2.9
191.05640	1.6
193.12335	4.2
194.09050	0.8
206.99693	1.4
207.13930	0.8
209.11761	7.8
211.13379	2.3
225.00700	13.2
225.14940	53.0
226.15329	1.3
227.12933	1.2
239.09222	100.0
240.09538	3.7
243.01721	1.6
243.15953	1.6
269.13919	21.9
287.14890	4.1
299.04324	1.3
300.02740	1.0
329.16135	1.0
341.23294	28.4
342.23697	1.4
374.06094	1.6
423.22452	1.0
426.72961	0.9
447.09366	1.9
465.23352	1.8
508.36038	1.1
509.16956	86.6
509.24734	22.8
510.17352	7.6
510.24780	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	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24516	0.8
51.59469	0.8
55.01866	1.4
58.00602	1.0
59.01372	29.8
61.98818	6.1
67.36783	1.0
69.66496	1.6
69.66903	3.2
71.01373	16.2
72.99284	1.2
73.02946	3.5
74.00227	0.8
75.00866	1.7
78.25270	0.8
83.01387	1.9
83.05028	1.5
85.02943	5.9
87.00848	2.9
89.02447	11.2
90.07317	0.8
93.03455	3.2
95.01345	2.0
96.95991	3.3
99.00842	1.9
101.02438	17.5
107.29837	0.9
109.02980	1.0
109.52621	0.9
113.02451	6.8
119.03493	2.9
123.04522	1.5
131.03526	1.1
132.02138	1.0
134.03682	1.3
151.11258	2.4
153.01952	1.7
153.12784	1.9
160.01630	5.9
161.04521	5.4
169.12315	64.7
170.12692	2.0
173.04544	3.1
175.03954	5.6
179.05591	1.6
179.10722	1.3
185.11812	0.9
191.05571	8.5
193.05025	3.4
197.11800	96.2
198.12143	2.6
213.11284	1.7
235.05948	0.9
247.05402	1.3
253.09241	9.6
273.03378	1.7
291.12683	0.9
305.22836	0.8
361.17554	0.9
449.27335	3.8
467.28650	1.5
473.16650	11.4
477.19717	100.0
478.20013	6.7
498.53555	1.0
509.22308	70.8
510.22900	4.6
522.58978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01374	22.0
60.01725	0.6
61.98824	4.3
65.96053	0.6
67.01894	3.5
68.58008	0.6
69.03442	1.0
71.01376	12.0
71.62842	1.0
72.99313	1.1
73.02936	3.5
83.05051	0.6
85.02946	4.3
87.00882	1.3
89.02444	5.6
93.03449	25.4
95.01347	0.8
96.96003	6.0
99.00892	1.3
101.02428	6.3
109.02928	1.0
111.04499	4.8
113.02418	4.1
118.94816	0.6
119.03497	2.1
120.01266	1.2
125.02558	0.6
132.02148	2.2
134.03719	3.3
135.04517	1.3
137.02469	4.0
149.06079	0.9
155.03496	4.7
155.10774	2.7
160.01625	9.5
161.04532	1.9
169.08597	0.7
173.04526	100.0
173.11745	3.2
174.04790	3.3
175.03958	12.2
177.01851	4.0
178.02271	1.2
179.03539	0.6
179.05576	1.3
189.12878	1.0
191.05597	3.9
191.07103	1.0
193.04996	5.5
203.05598	1.0
207.13860	1.5
225.14990	3.0
261.65817	0.6
297.11868	2.0
335.17072	28.5
336.17389	1.0
429.21298	0.8
449.24069	1.4
467.21378	0.9
473.16565	21.0
474.17255	1.1
509.22324	27.3
510.22406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66212	0.3
56.65378	0.3
57.03417	0.4
59.01091	0.5
59.01374	10.6
61.98827	2.5
63.96230	1.3
69.03449	1.0
71.01373	6.6
71.63289	0.4
73.02950	2.6
78.95898	3.9
78.98578	4.3
79.66592	0.3
79.95270	0.4
79.95734	7.7
80.96510	51.3
81.03452	1.1
83.04993	0.7
84.02154	1.5
85.02940	3.2
87.00868	2.6
87.04495	1.7
89.02429	0.7
93.03430	1.0
94.98077	13.9
95.01356	0.5
96.96004	3.5
97.02956	2.1
97.06586	2.7
99.00896	0.7
99.04530	0.5
101.02432	3.1
106.98076	2.3
110.98505	2.7
113.02461	1.1
118.98056	0.4
121.02932	0.4
122.97565	5.2
125.02441	2.7
125.09706	0.7
127.04011	0.5
134.97580	3.5
135.04530	0.7
136.99162	0.9
146.97591	0.4
148.99136	5.4
152.98599	6.8
152.99640	0.9
164.98599	10.3
167.01227	0.6
171.10240	5.7
173.04521	1.5
175.11220	0.3
179.07121	3.9
179.10635	0.5
182.99652	2.3
185.02193	2.6
188.98651	0.4
191.05573	1.2
193.12285	3.8
206.99640	2.8
207.13873	0.3
209.11778	4.5
211.13382	1.1
221.11813	0.4
221.97696	0.4
225.00708	15.0
225.14931	8.9
225.17059	0.6
226.15359	0.8
239.09221	8.9
243.01793	1.7
243.15927	2.6
253.14621	0.4
269.13947	1.9
291.19638	0.4
291.29132	0.4
299.04456	2.8
300.02704	0.6
341.23279	25.4
342.23761	0.8
374.06345	0.9
386.56348	0.3
447.09497	1.0
447.31308	0.4
465.23456	0.4
509.17041	100.0
509.25189	15.9
510.17349	7.4
510.25327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93592	0.5
57.03453	0.5
59.01374	22.5
61.98828	3.2
63.96218	0.8
66.14974	0.6
69.03435	1.0
70.95713	1.0
71.01376	7.7
72.99278	0.6
73.02936	2.5
75.05289	0.5
78.95887	4.3
78.98579	4.5
79.95734	7.8
80.96510	54.8
81.03453	1.3
83.01393	1.0
83.05025	0.9
84.02155	1.9
85.02955	3.2
87.00885	2.0
87.04512	3.1
89.02430	1.3
93.03457	1.4
94.98077	13.9
95.01403	0.6
96.95989	3.5
97.02950	2.1
97.06583	2.5
99.00867	0.6
99.04524	0.7
100.32128	0.5
101.02412	4.7
101.31043	0.5
106.98085	3.1
110.98532	1.3
111.94140	0.5
113.02422	1.8
121.02949	0.9
122.26865	0.5
122.97562	4.7
125.02406	2.8
127.04011	1.4
134.97588	3.7
135.04482	0.9
136.99117	1.2
137.02454	0.6
143.03435	0.6
148.99141	5.0
152.98611	6.9
152.99629	1.5
161.04553	0.8
161.05853	0.5
162.06769	0.6
164.04813	0.8
164.98608	9.1
167.01204	0.6
171.10236	4.9
173.04561	1.9
179.07123	13.7
182.99681	1.9
185.02187	1.7
191.05600	1.7
193.12321	3.8
198.52386	0.5
206.99695	3.0
209.11786	5.3
211.13341	1.3
225.00719	17.0
225.14934	18.0
239.09216	28.3
240.09508	0.7
243.01785	1.9
243.15881	2.4
269.13916	5.5
285.02612	0.5
287.15134	0.7
298.99448	0.6
299.04599	3.0
300.02701	0.7
301.03525	0.6
341.23273	21.4
342.23798	0.8
364.54004	0.5
374.06296	0.8
428.07886	0.6
447.09286	1.1
465.23471	0.9
491.23206	0.7
509.17020	100.0
509.25134	14.5
510.17337	6.6
510.24677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07071	0.5
55.01879	0.8
57.03444	0.9
58.93100	0.6
59.01378	33.6
60.01702	1.1
61.98819	2.1
63.96243	0.9
67.01863	0.6
69.03451	1.4
71.01384	13.7
71.63533	1.0
73.02949	6.2
78.95907	1.6
78.98599	5.2
79.95728	7.6
80.96513	51.9
81.03459	1.1
83.01390	2.2
85.02940	6.3
87.00870	3.8
88.78725	0.7
88.98786	1.2
89.02444	1.8
93.03461	2.0
94.98080	14.1
95.01373	0.7
96.96004	3.1
97.02924	1.7
99.00875	1.9
101.02441	9.2
101.29185	0.7
106.98061	1.9
113.02448	4.5
122.97583	5.0
125.02432	4.3
127.03957	1.4
134.97585	4.1
135.00922	1.1
135.04488	0.7
136.99109	1.0
137.02409	0.8
143.03505	0.8
148.99141	5.5
151.07635	1.6
152.98573	5.6
152.99626	1.0
161.04535	1.9
163.00357	1.6
164.58167	0.6
164.98616	9.7
172.89281	0.6
173.04536	2.9
176.56306	0.6
182.99690	2.3
190.99837	6.9
191.05626	5.0
191.10579	0.8
195.22775	0.6
206.02188	7.5
206.99672	2.5
209.11806	2.6
212.15480	0.7
221.04523	7.8
225.00720	18.1
243.01775	1.8
257.92120	0.6
271.66888	0.7
273.17084	2.5
299.04370	2.9
300.02737	2.3
301.03522	1.9
335.20697	2.2
447.09219	4.7
449.28024	3.2
467.24890	4.1
508.28317	2.8
509.16919	100.0
509.26337	5.8
510.17084	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	509.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01376	40.6
60.01723	1.1
61.98816	3.1
69.03423	1.1
71.01366	11.7
71.63049	1.0
73.02923	5.2
78.95864	1.8
78.98567	3.4
79.95719	5.6
80.96509	33.4
81.03434	1.6
83.01378	1.8
85.02946	6.0
85.82823	0.9
87.00873	3.1
88.98788	1.1
89.02426	2.6
93.03450	2.6
94.98090	8.9
95.01387	1.4
96.95977	2.7
97.02923	1.2
99.00848	1.3
101.02433	7.4
103.71938	0.9
104.86464	0.9
106.98081	1.6
107.01383	3.1
109.02945	2.1
113.02425	3.5
119.03471	1.2
122.97569	3.1
125.02399	2.6
127.03993	1.5
134.97568	2.6
135.00858	7.7
141.46791	1.0
143.03462	1.1
148.99129	2.7
150.03212	1.4
152.98564	4.1
152.99651	1.5
161.04575	1.0
163.00360	17.1
164.98599	6.3
173.04541	4.6
177.05171	1.0
182.99664	1.8
190.99844	77.4
191.05557	4.4
192.00197	2.2
206.02187	88.6
206.99707	2.1
207.02597	2.2
209.11839	1.7
209.49947	1.0
221.04532	100.0
222.04854	3.6
225.00705	9.4
243.01886	1.5
253.09319	1.6
271.02356	2.5
273.17102	8.6
299.04266	1.2
300.02652	3.3
301.03436	2.7
334.01456	0.9
335.19855	1.5
447.09265	5.0
449.28210	6.6
465.12582	1.5
466.27573	1.5
467.24875	2.9
508.28262	3.4
509.16864	64.9
509.23489	3.6
509.28604	3.5
510.17535	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	508.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.2
59.01369	3.2
59.12836	0.6
60.68476	0.6
61.98820	2.4
64.53494	0.6
69.03454	0.6
69.28729	1.2
69.29134	4.9
71.01400	0.7
78.95901	16.3
78.96360	1.0
96.95986	0.8
96.96924	0.9
97.06610	0.8
102.12027	0.6
109.06544	0.9
113.09711	14.3
139.11263	1.0
140.01176	7.2
141.48236	0.6
149.09714	0.8
152.99556	3.1
160.84241	0.9
162.83870	3.3
167.10762	3.4
171.10231	2.3
173.04575	0.6
177.12827	0.8
179.10802	2.9
179.14398	1.7
195.13885	8.3
196.03810	3.2
199.09724	1.4
205.12274	3.5
207.10217	1.7
209.11809	2.3
214.04831	9.6
223.13361	19.2
223.75246	0.6
224.13815	0.8
224.32735	0.6
249.22108	2.1
293.21198	100.0
294.21469	6.5
306.05029	0.7
311.22214	1.2
392.18332	1.6
419.50214	0.8
420.17844	8.4
490.25485	2.1
508.26779	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	508.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24509	0.3
57.03439	0.9
58.00597	0.4
59.01373	2.2
61.98823	1.1
69.03430	0.6
71.00031	0.4
71.00376	0.7
71.01373	0.5
75.40936	0.3
78.95897	18.7
80.41405	0.3
81.03510	0.3
83.05029	1.2
96.96955	0.8
97.02953	0.5
97.06584	0.8
99.08142	2.5
111.08177	0.5
113.09723	3.1
121.10221	0.4
125.09692	0.7
129.09210	5.0
138.05656	0.3
139.11266	2.3
140.01181	4.4
151.11238	0.9
152.99571	2.9
153.12846	1.0
163.11276	0.4
165.12895	0.9
167.10764	0.9
167.14410	0.8
169.12274	2.1
171.00620	1.3
171.10265	6.2
173.04518	0.7
181.12349	3.5
182.02277	0.4
183.13895	2.1
185.11815	0.6
191.05574	0.4
193.12320	3.6
196.03789	2.8
197.11795	7.8
198.12080	0.4
199.13394	3.7
209.11749	1.0
211.13373	13.6
212.13724	0.7
214.04826	6.6
217.67661	0.3
227.12836	0.5
249.22128	0.9
260.34943	0.3
265.21609	0.6
275.20151	1.3
284.09048	0.5
293.21207	15.5
294.21494	0.7
311.22244	100.0
312.22549	5.4
472.78363	0.4
505.35815	0.3
508.26730	61.5
509.27124	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	508.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68065	0.4
57.03453	1.1
59.01374	3.0
61.98827	4.0
69.03451	0.6
70.95717	1.2
71.01392	0.8
75.40247	0.4
78.95901	14.1
78.96365	0.8
83.05013	0.7
93.03465	0.6
97.06542	0.6
98.19800	0.5
99.08147	3.0
111.08188	0.8
113.09701	3.4
123.08158	0.8
129.09209	4.6
139.11293	1.0
140.01189	4.6
151.11270	1.1
152.99564	2.1
153.12846	0.8
167.14407	0.6
169.12309	4.1
171.00673	0.8
171.10262	1.3
173.04523	0.5
181.12328	4.4
183.13904	2.2
185.11827	0.5
191.05568	0.8
193.12370	1.5
196.03827	3.4
197.09975	0.7
197.11804	12.7
199.13385	7.2
209.11720	0.8
211.13367	18.3
212.13533	1.1
214.04845	6.1
230.09154	0.7
265.21735	1.3
275.20264	2.1
293.17868	0.7
293.21225	13.9
311.22253	100.0
312.22571	6.2
508.26749	53.0
509.27158	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	507.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80829	0.3
59.01373	0.5
65.26291	0.3
78.95898	8.5
88.25990	0.3
96.96942	0.7
116.64843	0.3
127.86309	0.3
148.72464	0.3
152.99577	13.9
171.00638	1.6
227.03241	2.5
232.02007	0.3
245.04253	1.8
250.83611	0.4
279.23251	100.0
280.23624	6.8
281.24823	2.2
282.25189	5.4
288.42175	0.4
507.27191	33.1
508.27643	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03441	1.4
58.00616	0.5
59.01374	91.4
60.01696	0.5
60.99303	1.2
69.45052	3.1
71.01378	9.5
73.02931	4.5
75.00859	0.6
83.01383	1.9
85.02945	6.0
87.00885	0.7
88.98814	4.9
89.02441	1.5
95.01385	1.0
97.02947	0.6
98.20686	0.8
99.00881	1.4
99.04507	1.8
101.02438	10.3
109.06577	0.8
110.08639	0.5
113.02441	4.3
121.06557	0.6
125.02421	0.9
143.03502	0.8
159.03011	1.3
161.04539	5.6
165.12843	1.4
189.12752	0.5
191.05432	1.1
191.38472	0.5
192.60347	0.4
207.13882	2.7
209.11823	6.7
225.14920	5.1
227.12856	28.2
228.13248	0.9
237.09734	6.9
269.13803	2.0
279.10776	2.1
287.14993	1.2
303.21735	0.9
387.53220	0.5
447.25903	1.3
465.26816	1.4
489.23376	11.1
501.38708	0.5
507.24277	100.0
508.24594	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	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
57.03443	2.0
58.00580	1.6
59.01376	50.0
61.98838	1.3
69.03450	1.4
69.26486	0.9
69.26826	5.5
71.01379	43.2
72.99299	2.0
73.02939	10.3
75.00847	0.8
83.01382	5.2
85.02425	0.8
85.02944	14.4
86.03240	0.5
86.60299	0.6
87.00859	2.6
89.02437	21.8
90.02771	0.5
93.03493	1.2
95.01366	1.7
97.02925	2.0
99.00865	4.9
101.02439	25.1
111.00858	2.0
113.02445	11.3
115.04031	0.7
117.27234	0.5
119.03483	1.8
125.02433	3.3
129.01952	1.1
131.03490	11.4
135.04543	0.7
143.03436	1.6
146.03856	0.5
149.04536	7.6
159.02916	1.5
161.04527	9.3
165.64241	0.6
173.04543	3.1
191.05573	5.1
229.04240	0.5
229.08647	0.8
233.06647	1.0
293.08777	1.6
315.18118	13.3
330.25339	0.5
447.22287	100.0
448.22601	7.1
507.27448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03448	2.4
59.01375	100.0
61.98841	2.9
66.34158	1.4
69.26143	2.8
69.26469	14.1
70.88679	1.2
71.01378	34.8
73.02944	24.8
73.06858	1.3
78.93445	1.5
79.19892	1.3
83.01385	7.3
85.02950	19.1
87.00867	3.0
88.48352	1.3
89.02438	9.8
89.44067	1.2
90.74075	1.4
93.03461	4.1
95.01392	2.8
97.02949	1.6
98.19884	2.3
99.00856	13.8
101.02441	34.1
102.75311	1.5
107.59608	1.3
113.02439	13.7
119.03503	1.7
125.02442	2.0
131.03511	2.7
143.03462	2.2
159.02954	2.7
161.04530	10.7
173.04520	6.0
191.05507	6.5
257.08173	1.6
271.15442	2.0
289.16562	25.3
303.73700	1.3
331.17493	3.3
403.19620	1.5
421.20724	45.6
421.26367	2.6
422.21109	3.3
463.21774	87.8
464.22241	7.8
507.24710	6.3
507.27713	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	507.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.34654	1.1
56.36689	1.0
57.03421	1.8
59.01377	100.0
60.01704	1.1
61.98817	6.2
69.03440	1.6
69.35680	10.3
71.01378	40.5
71.05037	1.6
72.99308	2.2
73.02944	10.7
83.01389	6.2
85.02943	12.5
87.00882	4.4
88.98803	2.2
89.02438	13.6
93.03462	2.7
94.05485	1.2
95.01402	3.6
95.05042	1.6
96.96017	2.7
97.02908	2.1
97.06608	1.5
99.00905	2.4
100.90997	1.1
101.02438	25.9
109.02924	1.0
111.00892	1.7
113.02425	14.2
119.03484	4.6
121.02945	1.4
123.08154	1.9
124.01643	1.3
125.02448	8.4
125.09712	1.3
131.03471	1.2
132.09373	1.0
137.02411	3.0
143.03458	2.0
149.06081	1.6
159.03004	2.1
161.04539	6.5
167.07130	3.1
173.04550	3.1
175.03969	1.1
177.01846	1.9
177.11046	1.3
179.05550	2.6
191.05608	6.7
197.11809	3.2
215.12859	3.4
227.12849	2.3
285.04031	4.4
285.20511	1.4
297.11798	4.4
303.05029	3.4
303.21790	5.4
315.12491	2.2
345.13318	1.1
359.17041	4.5
377.18033	14.0
419.19183	71.6
420.19556	4.5
429.25272	1.8
447.26105	43.0
448.26218	1.8
463.21716	2.3
465.27017	16.3
507.11334	3.3
507.21741	2.3
507.27917	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	507.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49047	0.4
59.01366	1.9
61.94481	0.4
67.30604	0.4
71.01380	1.9
71.38147	0.5
72.99327	1.1
73.02929	0.4
75.00859	3.6
85.02959	1.1
87.00871	22.2
89.02424	1.1
91.89454	0.5
99.00883	3.3
101.02449	1.4
105.01930	23.0
108.02154	1.6
109.02954	0.5
117.01884	0.5
129.01909	1.1
147.02957	3.9
152.01122	1.4
165.04028	100.0
166.04355	2.0
173.04503	0.6
191.05608	3.3
254.26147	0.5
315.07184	2.8
468.37042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03441	0.9
58.00595	0.5
59.01374	80.5
60.01711	0.3
60.99311	0.3
61.98821	1.0
65.03947	1.0
67.01890	0.7
69.03448	0.4
70.47749	0.3
70.48112	0.7
71.01376	9.5
72.99307	0.9
73.02939	4.3
75.00876	0.4
82.70734	0.2
83.01381	2.8
85.02940	6.5
86.00088	0.4
87.00867	1.1
87.04523	0.2
88.98804	0.4
89.02437	2.2
91.01888	2.0
93.03449	18.7
94.03774	0.4
95.01367	1.1
95.89455	0.2
96.96003	0.5
97.02928	0.5
97.06565	0.2
98.20539	0.2
99.00873	1.5
101.02435	8.2
103.03973	0.4
107.01398	0.3
108.02177	0.3
109.02942	32.4
110.03276	0.7
111.00887	0.9
111.04510	0.9
113.02436	3.7
113.09683	0.2
119.03507	0.5
121.02943	13.8
122.03268	0.3
125.02411	0.5
127.03983	0.2
129.01907	0.5
129.09216	0.3
134.03755	0.5
135.00868	10.5
135.04474	0.3
137.02454	0.5
140.24883	0.2
143.03496	0.3
145.06552	0.4
148.05347	0.2
149.02440	0.3
149.06082	0.3
151.00348	0.7
151.03998	0.5
152.00679	0.3
153.00740	0.2
153.01903	2.7
155.03496	0.6
157.12343	0.3
159.02957	0.6
161.04533	1.5
163.03983	0.3
164.07129	0.2
165.01889	0.6
166.77968	0.2
169.06549	0.3
169.12303	1.7
173.04539	4.3
173.06085	1.3
174.04935	0.2
175.03894	0.2
187.13306	0.9
191.05586	2.5
197.06056	1.7
203.03485	0.2
211.04002	0.3
212.13480	0.2
213.05536	0.5
215.07089	12.9
216.07422	0.6
229.08839	0.3
241.05043	4.6
243.19638	0.8
258.05231	1.4
259.06070	3.1
259.19028	0.2
285.20685	0.6
301.07196	0.7
302.07309	1.1
303.07648	1.4
303.21680	0.5
333.19156	7.2
334.19141	0.3
373.59537	0.3
377.99384	0.2
387.23721	1.3
403.10242	0.2
403.26956	0.3
405.24991	1.8
421.11343	6.0
421.24228	0.3
422.11789	0.5
424.80408	0.2
429.24799	0.9
445.11346	1.0
447.25916	4.1
451.23245	0.3
463.12399	41.8
464.12567	3.2
464.18582	0.3
465.26935	2.7
469.24326	0.9
489.10376	0.4
489.27115	3.4
490.18762	0.5
506.26892	0.8
507.28140	100.0
508.28513	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	506.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
59.01366	20.1
61.38282	1.2
61.98822	5.7
63.50006	1.2
70.04390	6.0
71.01382	3.3
71.05014	2.1
78.95898	28.6
81.03448	3.7
83.01373	11.7
83.05015	5.1
85.02974	6.0
87.00847	2.1
93.03452	6.7
95.05045	2.9
97.02966	1.6
97.06581	6.2
98.03722	2.8
98.20455	2.0
109.02866	1.4
111.08126	1.3
112.56351	1.2
123.04513	4.1
123.08144	3.0
125.06067	3.1
125.09712	10.6
127.11259	1.2
127.87067	1.5
135.04471	2.1
135.08189	1.4
139.11232	6.9
140.01183	11.1
141.09149	1.8
144.05455	1.3
151.11272	1.2
152.99556	3.7
163.11301	9.3
165.12830	21.9
167.10747	7.3
171.00629	1.7
173.04509	12.4
174.04886	1.8
174.65813	1.3
179.10600	1.3
181.12326	5.2
183.13991	1.8
191.05594	20.6
191.10745	3.5
192.05943	1.7
193.15883	5.4
196.03717	5.8
207.10043	1.6
209.11800	81.5
210.12132	1.8
211.13182	1.4
214.04817	13.8
225.11296	1.2
247.20622	15.6
273.18643	4.2
291.19623	100.0
292.19922	8.2
309.20679	87.5
310.21042	5.5
330.74997	1.4
506.25171	91.9
507.25525	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	506.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29980	0.9
57.03437	1.6
59.01375	10.5
61.98848	5.4
63.46559	1.0
67.01869	2.1
69.03450	1.4
69.96783	2.9
69.97198	2.0
71.01369	3.8
73.02942	2.9
78.95898	44.7
80.96477	1.3
83.05025	1.4
85.02924	3.4
87.00881	2.4
89.02396	1.6
93.03448	8.5
96.96940	3.2
97.06566	2.2
101.02460	1.3
111.04518	2.2
111.08151	19.9
124.56660	0.9
135.04489	3.0
137.02484	2.2
140.01186	6.9
151.03833	1.0
151.11224	1.6
152.99593	7.9
153.12769	2.3
155.03467	2.0
169.12323	8.7
171.00586	4.9
171.10165	1.5
172.86980	1.1
173.04535	19.0
174.04868	2.1
179.10666	1.1
181.12375	1.7
183.13995	1.0
187.07607	2.2
191.05579	21.3
192.05997	2.3
196.03787	2.8
197.11807	100.0
198.12148	3.6
199.13307	3.3
201.05592	1.2
202.06052	1.0
209.11815	2.4
210.12131	1.6
211.13379	6.6
214.04794	8.9
215.07065	2.5
225.14960	1.6
227.12897	1.6
229.08632	4.2
230.09584	1.9
263.20096	3.6
265.17947	1.9
285.18509	1.1
291.19638	16.0
309.20682	80.8
310.21011	4.4
410.15808	3.0
449.14548	1.4
506.25165	89.4
507.25497	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	506.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03437	3.0
59.01376	11.2
61.98830	1.5
62.13486	0.8
67.01867	1.1
69.03438	1.9
69.23138	0.8
70.23536	0.8
70.47544	2.2
70.47940	1.8
71.01366	2.5
78.95897	28.2
80.02666	2.2
81.03434	3.7
83.01384	11.6
83.05016	4.8
85.02935	1.5
93.03433	2.7
95.05022	2.1
97.02960	1.6
97.06554	5.5
98.03714	1.1
105.10322	0.8
105.64257	0.9
109.06600	1.4
110.03691	0.9
111.08148	2.0
113.09732	1.0
123.04517	3.4
123.08125	4.3
125.06033	1.6
125.09710	13.7
127.11305	1.1
135.08102	1.5
137.02293	0.9
137.06023	1.2
139.11263	8.0
140.01170	9.5
141.09171	1.2
151.11256	3.9
152.99570	3.5
153.12877	1.2
161.36313	0.9
162.10498	0.9
163.11272	10.6
164.83655	1.4
165.12834	20.0
167.10713	7.2
168.11490	0.9
169.57272	0.8
171.10217	1.1
173.04503	1.9
177.12801	1.2
179.10736	1.6
179.14445	1.9
181.12283	9.9
183.13864	1.5
189.12933	1.0
191.05550	2.4
191.10727	7.7
193.12297	1.1
193.15991	5.9
194.58299	1.0
196.03795	4.7
196.35849	0.9
207.10161	1.6
209.11806	95.6
210.12094	4.4
211.13307	2.3
214.04834	17.3
225.11168	1.1
230.84131	1.1
245.19176	1.3
247.20610	15.1
263.20013	1.3
265.21680	5.1
273.18585	5.4
281.21124	2.0
291.19632	82.4
292.20099	5.6
292.70093	1.0
309.20670	100.0
310.20895	5.5
468.43472	1.0
505.09131	1.0
506.25134	90.2
507.25635	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	506.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61404	1.5
61.98825	100.0
70.87528	3.6
105.63228	1.5
107.36485	1.5
234.88712	1.6
244.47482	1.6
359.80600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03441	1.2
59.01373	10.0
61.98826	5.3
69.03445	2.1
69.28468	7.4
71.01387	4.2
73.02917	1.3
78.95896	20.5
80.96503	1.0
83.01406	0.9
83.05045	0.9
84.02175	0.8
84.67789	0.7
85.02939	3.3
87.00935	0.8
89.02448	1.2
93.03455	6.4
94.03812	0.9
97.02941	2.7
97.06592	1.8
101.02406	3.5
109.06579	1.4
111.08155	18.7
113.02427	1.7
116.35780	0.7
119.03506	0.9
122.00142	0.9
127.07637	1.7
135.04523	1.8
137.02489	1.0
137.09691	1.6
140.01170	7.4
151.11269	2.0
152.99547	2.6
153.09187	1.2
153.12825	1.7
155.03427	0.7
163.11230	1.4
165.12808	2.4
169.12320	9.8
171.00650	1.0
171.10309	4.8
173.04547	11.1
173.06004	1.4
174.04900	1.5
179.03406	1.0
179.10707	1.0
181.12305	2.1
183.13902	1.6
187.07661	1.6
191.05600	15.3
196.03807	3.5
197.11810	86.3
198.12148	3.4
199.13380	3.8
201.05730	1.1
201.09286	0.8
202.06317	1.0
209.11823	2.9
210.12141	1.7
211.13344	8.2
214.04834	13.2
215.07147	1.5
227.12900	2.8
229.08693	1.8
230.09454	1.9
247.20667	1.9
263.20135	5.6
265.18121	1.7
273.18582	1.6
280.64227	0.9
291.19626	26.6
292.20026	0.9
309.20694	100.0
310.20993	6.1
313.68689	0.8
409.13483	0.8
410.15631	1.9
465.80139	0.9
471.14899	0.8
472.16086	0.9
506.25220	87.7
506.33664	4.8
507.25558	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	506.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.8
59.01374	34.3
68.99509	0.8
69.17673	0.7
70.19450	1.5
70.19817	1.2
71.01378	26.2
72.00903	12.8
72.99289	1.1
73.02949	1.5
81.06541	0.7
83.01379	0.8
85.02940	3.3
87.00855	2.3
89.02435	36.1
95.01400	1.4
96.95991	2.5
101.02432	13.4
113.02443	11.2
119.03491	12.7
119.04932	0.7
131.03491	2.4
139.94801	0.7
143.03477	3.9
147.04507	45.6
148.04819	1.3
149.04556	1.5
157.13765	0.8
161.04550	4.3
164.07150	91.3
165.07507	2.3
172.55431	0.7
179.05608	19.5
341.10834	100.0
342.11163	4.4
397.21619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
55.27759	1.3
57.03439	2.7
59.01379	7.9
61.98820	1.2
63.31393	1.3
68.99819	2.1
69.03442	4.1
71.01374	19.0
75.00870	11.8
83.01375	4.1
85.02950	17.6
87.00850	7.0
87.99090	1.2
89.02454	2.2
94.42632	1.4
95.01379	6.1
98.19821	2.8
99.00867	15.1
103.00364	1.7
111.00863	3.5
113.02432	26.3
131.03479	2.4
139.00298	1.2
157.01352	2.7
158.74478	1.3
223.08214	2.0
240.69563	1.2
249.06116	23.6
255.23271	89.1
256.23566	4.5
267.07159	4.3
435.65945	1.7
505.30057	100.0
506.30072	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	505.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55933	0.4
59.01376	0.6
71.08501	1.0
78.95896	8.7
96.96932	0.5
104.04141	0.4
132.53761	0.5
152.99573	15.8
171.00633	2.0
189.06180	0.6
227.03253	2.8
233.22647	0.6
236.11456	0.4
245.04213	2.5
259.20590	0.4
277.21686	100.0
278.21997	5.3
279.23212	0.7
331.15607	0.4
398.43076	0.5
421.69885	0.5
505.25668	39.6
506.26035	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30258	0.4
52.41232	0.4
54.82851	0.5
57.03447	1.3
58.00588	0.7
59.01376	100.0
60.01713	0.9
61.98819	0.5
69.03450	1.0
71.01379	18.3
71.20299	1.1
72.70734	0.4
73.02952	3.2
75.00857	0.6
77.61252	0.4
83.01392	0.9
83.05029	0.7
84.02182	2.1
85.02957	2.0
87.00868	0.6
89.02438	2.7
93.03464	0.9
94.76644	0.5
95.01398	0.4
96.96008	5.4
99.00896	0.9
99.04531	2.0
101.02440	4.8
113.02428	3.1
119.03539	1.2
119.05000	6.9
121.03004	0.5
121.06609	0.6
127.54173	0.4
133.03023	0.4
135.04561	1.6
137.05988	0.5
137.09715	1.1
139.07658	1.9
143.03514	0.5
147.08163	0.5
149.09709	0.5
153.09277	0.6
155.10805	0.4
159.02991	0.5
161.04559	3.5
163.03999	9.1
165.09244	1.7
171.08167	0.6
173.04572	0.9
175.11302	0.6
177.12837	2.7
179.03491	1.1
179.05667	0.9
179.10713	3.7
181.05101	0.7
181.08679	0.5
187.11314	0.8
188.08453	1.4
191.05669	1.9
191.10757	0.6
203.05608	3.0
205.12311	18.3
206.12633	0.9
221.06654	0.6
223.13371	35.5
224.13739	1.9
241.14435	35.4
242.14792	1.3
255.10338	1.8
261.00793	0.5
291.72165	0.5
385.18854	1.4
403.19919	1.4
408.54129	0.5
445.20712	8.4
446.21271	0.6
469.22897	2.2
505.14423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43357	0.3
54.59094	0.3
57.03439	0.8
58.00584	1.0
59.01376	25.0
60.59380	0.4
69.69511	2.0
71.01377	16.7
72.79504	0.4
72.99289	1.3
73.02943	10.1
75.00857	0.4
80.91712	0.5
83.01370	1.0
85.02948	7.2
87.00874	1.0
89.02438	14.6
93.03407	0.3
95.01389	2.1
95.50131	0.3
99.00875	42.2
100.01205	0.8
101.02431	9.4
107.12437	0.3
109.02900	0.5
112.98508	0.4
113.02440	12.9
119.03506	3.2
131.03502	2.9
135.04541	0.5
136.07707	0.8
143.03465	0.7
149.04559	2.7
161.04541	2.4
173.04498	1.4
181.12263	1.0
191.05583	6.5
193.12325	2.0
210.71533	0.4
211.13356	1.2
225.11369	0.4
237.54738	0.4
240.04099	0.6
241.05017	2.0
255.02765	0.4
257.08087	1.4
283.05911	0.7
284.03247	0.4
285.03848	0.5
287.10425	0.4
300.02530	0.4
301.03937	0.4
301.07172	1.6
373.18494	1.6
422.01984	0.4
431.09631	0.6
445.24033	0.9
505.22769	100.0
506.23181	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	505.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
58.00578	0.8
59.01371	100.0
60.01698	0.5
61.98815	0.6
69.03433	1.1
69.37040	4.7
71.01375	24.5
72.99297	1.0
73.02935	14.6
83.01359	2.5
83.05026	0.5
85.02946	6.6
86.90280	0.4
87.00860	4.2
88.98803	0.9
89.02435	19.4
89.02993	1.0
93.03452	2.5
95.01367	1.3
96.96011	1.7
97.02970	0.9
98.20720	1.1
99.00869	41.3
99.04491	0.5
100.01231	0.7
101.02436	12.7
110.26839	0.6
111.00895	0.6
111.04542	0.5
113.02435	10.9
119.03489	3.2
123.04506	0.6
123.12737	0.5
125.02429	2.2
127.04166	0.4
130.04016	0.5
130.30226	0.6
131.03476	6.4
131.15569	0.4
139.07675	0.6
143.03448	2.4
147.09999	0.5
148.01683	0.5
149.02695	0.7
149.04530	15.4
149.05646	0.9
151.00352	1.6
155.03519	1.8
161.04533	4.6
162.04977	0.6
171.93291	0.5
173.04532	3.3
173.07986	0.5
178.99680	0.5
179.05693	1.0
191.05588	21.4
197.04662	0.5
203.05588	8.1
205.12387	1.5
209.11710	0.7
223.13382	3.5
223.73038	0.6
233.06607	3.0
240.13655	0.5
241.14398	0.7
243.03064	1.5
243.16107	0.5
254.02252	0.7
255.02922	4.5
271.02396	8.2
272.02975	0.7
280.38364	0.5
300.02695	15.0
300.05933	0.8
301.03412	5.2
313.16516	1.1
331.12091	0.5
331.17596	0.9
373.18817	1.3
385.18317	3.7
403.19617	4.1
445.20630	12.1
446.21082	0.7
453.70740	0.7
463.21725	6.0
505.10135	8.9
505.23209	11.3
506.10464	1.0
506.23386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70942	0.3
55.01865	0.6
57.03450	0.4
59.01373	16.8
61.81929	0.3
61.98816	0.7
67.01878	0.7
68.11445	0.3
69.03434	0.6
70.72835	0.6
70.73174	0.5
71.01366	4.4
73.02930	1.6
78.95897	1.3
79.95745	0.4
80.96516	1.1
83.01376	0.7
83.05039	0.4
85.02958	2.2
87.00861	1.1
89.02449	1.7
93.03456	4.5
95.05010	0.5
96.96008	0.4
97.06644	0.4
101.02441	4.5
102.18784	0.3
109.02953	0.4
109.21570	0.3
111.00859	0.7
111.04496	0.8
111.08180	1.0
113.02433	2.1
118.14794	0.3
119.03484	1.0
126.25120	0.3
133.02934	0.6
133.05042	0.3
135.04527	0.8
137.02388	0.6
143.03511	0.3
147.27080	0.4
150.33025	0.3
152.99567	1.0
155.03450	0.5
157.05151	0.4
161.04553	1.2
169.12329	0.5
173.04518	7.3
173.05998	0.6
174.04779	0.4
175.03906	0.4
190.75105	0.4
191.05583	7.1
196.03711	0.4
197.11801	4.9
201.40390	0.4
209.11804	100.0
210.12131	4.4
211.13338	0.6
214.04967	0.4
215.07127	0.6
232.47954	0.4
235.08252	3.0
253.06583	0.6
253.09256	12.0
291.19662	1.2
298.67014	0.3
309.20700	4.8
445.20743	1.1
456.97375	0.4
471.15274	1.2
505.34326	2.3
506.25110	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	505.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86829	1.3
59.01376	49.4
61.98820	3.0
63.69716	1.7
65.00322	5.2
67.01868	1.8
69.03442	1.9
69.46795	1.3
71.01375	15.2
73.02924	7.0
81.03511	1.5
82.95405	2.5
83.01379	7.5
83.05021	1.7
85.02950	7.4
85.06573	1.4
87.00876	2.8
89.02435	8.2
93.03453	11.7
96.96010	2.4
99.00850	2.2
101.02438	9.3
107.01373	13.1
108.02164	5.4
111.00826	2.1
111.04515	3.6
113.02420	6.5
115.92106	1.5
116.92902	2.0
117.20729	1.2
119.03469	3.2
120.99646	7.8
125.02466	2.3
134.03716	20.4
135.04494	2.7
136.01627	2.3
136.07677	4.8
137.02373	1.8
146.08237	1.3
149.06073	12.0
151.00336	37.1
161.04575	2.7
164.01111	4.1
165.01837	1.5
168.07904	2.4
173.04520	21.9
177.01888	4.3
181.12334	1.8
191.05580	22.0
192.06032	1.7
196.00136	2.3
209.11858	2.6
224.06944	1.8
275.09506	1.9
277.12375	2.1
283.18976	3.1
287.10486	2.1
300.03003	2.8
301.07132	100.0
301.20090	2.5
302.07462	5.1
361.29254	1.6
427.23004	1.7
439.23557	7.7
445.24545	6.8
461.23819	2.8
463.25266	2.6
469.24350	39.0
469.31042	2.4
470.24127	3.5
487.25104	2.2
505.10257	2.5
505.21774	26.1
505.26968	21.5
505.33954	3.5
506.21817	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	71.3
61.98812	6.9
63.02374	3.0
65.00328	6.9
66.81816	2.1
67.01884	3.2
67.09801	2.1
71.01379	26.6
71.23198	1.9
73.02948	10.0
83.01368	10.7
83.05041	2.2
85.02940	15.7
85.44141	2.0
87.00889	4.9
89.02430	13.4
93.03442	17.7
96.96001	5.2
97.45678	1.8
98.19727	3.3
99.00879	5.8
99.71113	1.8
101.02450	14.2
107.01388	12.3
108.02182	6.3
111.00883	2.4
111.04519	5.7
113.02440	9.2
119.03487	2.1
120.99657	14.3
123.04509	2.5
125.02427	3.3
134.03743	23.6
135.04507	2.8
136.01665	2.2
136.07655	6.9
137.02406	4.5
149.06065	13.4
151.00352	36.8
161.04512	4.4
164.01204	3.7
165.01871	2.3
170.79477	2.0
173.04520	39.2
177.01936	6.2
178.99843	4.2
181.12292	3.5
191.05615	41.7
192.05981	2.7
199.04019	2.2
209.11775	7.2
224.06857	5.1
271.02496	2.5
277.12283	5.0
283.19162	4.8
287.10364	5.5
300.02777	4.3
301.07129	100.0
301.20099	2.9
302.07578	4.0
343.08521	3.7
361.29819	2.7
439.23071	9.5
445.24371	8.5
461.23724	3.1
463.25424	5.9
469.24323	42.9
470.23059	2.4
487.25192	3.8
505.22037	55.0
505.27390	23.9
506.22186	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	505.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45684	0.3
59.01371	1.3
61.98814	0.6
69.37057	3.6
77.03953	0.4
78.95896	4.5
90.59264	0.4
93.03483	0.9
96.96987	0.5
121.02950	100.0
122.03287	2.0
152.99586	3.4
153.99985	0.7
154.99986	0.6
160.84178	0.7
161.02435	1.2
162.83894	0.7
171.00607	1.3
180.05769	0.4
181.06546	3.7
196.91510	0.4
197.06055	2.7
207.04466	1.0
207.08011	0.5
223.03964	0.6
225.05533	2.7
231.21141	1.3
232.21521	1.3
237.17470	0.4
245.04324	4.0
246.04572	2.3
247.04692	1.1
257.09662	1.1
275.20038	0.6
276.20575	1.3
277.21194	1.5
278.22141	1.1
279.22372	1.3
313.07120	4.5
348.50934	0.4
357.06049	1.4
358.02747	0.5
373.10263	0.5
383.07541	0.9
410.13324	0.5
417.09729	8.4
461.12070	0.5
504.24527	0.7
505.11380	9.8
505.24478	1.4
505.31500	0.4
506.11755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40648	0.9
57.03432	4.8
59.01378	18.8
61.98817	4.2
63.45936	1.1
65.75875	0.9
69.03462	2.6
71.01354	1.4
71.19421	1.7
71.19762	1.4
78.95899	45.3
79.90833	1.0
81.03429	5.9
83.01401	8.7
83.05013	4.2
85.02969	1.4
93.03456	5.0
95.01357	1.2
95.05004	4.8
96.96925	1.2
97.02958	5.2
97.06579	9.3
106.04250	1.8
108.02146	1.1
109.02972	1.8
109.06598	2.7
110.03716	1.6
111.04573	1.1
111.08103	1.0
119.08669	1.6
120.33849	1.1
121.06591	2.3
123.04531	8.6
123.08144	3.7
125.06082	2.1
125.09713	16.8
133.02962	3.1
134.03659	1.2
135.04514	1.8
135.08151	4.0
137.09697	9.9
140.01170	12.4
141.09195	1.3
141.12885	2.1
142.02750	1.3
149.06079	2.3
151.11230	1.7
152.99562	6.0
163.07593	2.3
163.11253	15.2
165.12839	5.0
167.10722	2.8
171.00543	1.6
173.04593	9.8
179.10759	3.8
181.12320	5.6
185.11813	14.7
189.12782	1.0
191.05580	6.2
191.10712	5.1
191.14403	16.2
196.03810	7.0
207.10266	10.2
209.11815	84.4
210.12173	2.9
211.13412	7.1
214.02943	1.8
214.04855	19.7
217.15865	2.4
225.11346	7.9
227.17950	1.6
243.17470	1.3
245.19064	32.0
246.19279	1.8
251.13014	1.6
263.20148	3.1
271.17084	3.3
289.18073	100.0
290.18335	4.4
307.19122	83.7
308.19589	5.3
335.29706	1.1
504.23651	99.5
505.23886	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	504.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72865	2.5
57.03437	4.3
59.01373	44.6
60.01703	2.6
61.98805	10.4
67.01872	3.6
69.03444	3.5
71.01387	6.2
78.95902	30.2
81.03451	8.0
83.01369	9.6
83.05003	5.9
85.02914	6.2
93.03439	13.0
95.05009	5.5
97.02937	3.6
97.06581	6.5
98.19830	5.6
101.02425	2.8
107.04984	3.1
109.02945	4.6
109.06516	3.3
113.06080	3.7
121.06560	3.2
123.04512	8.4
123.08172	4.1
125.09708	15.2
127.03984	3.4
133.02927	7.2
137.02411	3.9
137.06102	2.5
137.09714	8.8
140.01178	12.9
152.99583	5.9
155.03426	2.9
163.11273	15.3
165.12784	4.5
167.10751	3.4
173.04559	25.1
174.04677	2.6
177.01895	3.4
178.02628	3.9
179.03473	3.1
181.12340	3.0
183.92918	2.4
185.11871	12.9
191.05591	20.3
191.14362	15.6
196.03758	3.9
207.10229	10.1
209.11797	79.1
211.13373	14.4
214.04807	16.5
217.15886	3.2
225.11246	6.0
227.13092	3.6
245.19066	31.9
271.16974	3.0
279.19592	3.5
289.18060	100.0
290.18530	3.5
307.19107	65.9
308.19534	5.2
320.75333	2.9
327.15915	3.1
351.06967	3.9
447.09375	2.6
504.23578	88.5
505.24051	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56501	0.3
55.01878	2.0
57.03446	2.6
58.00586	0.8
59.01378	28.0
65.88903	0.4
69.03459	0.6
69.84689	1.5
71.01379	33.0
71.92947	0.3
72.99297	1.7
73.02943	13.1
75.00873	0.3
79.95746	0.4
81.03446	0.5
82.95387	0.4
83.01385	5.6
85.02946	15.5
86.03291	0.4
87.00878	2.9
89.02444	11.9
93.03461	0.8
95.01397	3.2
96.95996	3.4
97.02943	1.1
97.06557	0.3
99.00871	10.7
101.02438	26.4
102.02783	0.4
107.05056	0.6
111.00880	0.8
111.94893	0.3
112.01690	0.4
113.02445	16.4
119.03500	2.8
125.02459	1.1
129.01959	0.8
131.03490	1.4
136.01656	2.3
137.09760	0.8
143.03470	1.8
148.25932	0.3
149.04536	1.3
151.03992	3.2
153.34384	0.3
159.03004	2.5
161.04549	11.6
161.09706	0.7
171.10286	1.0
173.04573	1.3
179.05598	0.4
187.11299	0.9
189.09256	0.7
191.05659	3.1
205.12448	0.6
207.10257	0.7
209.15457	6.1
245.64375	0.4
249.11481	0.5
253.09290	1.2
353.19897	0.5
357.13492	3.1
371.20697	29.6
372.21088	1.6
503.25034	100.0
504.25308	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	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.8
57.03449	7.4
58.00597	2.5
59.01375	100.0
61.98832	8.8
65.00311	2.0
67.60290	1.6
69.03426	1.8
69.44815	12.5
71.01377	65.8
71.05021	1.9
72.99296	3.3
73.02938	29.6
75.00876	2.0
77.19608	1.9
81.03449	2.5
82.95411	1.8
83.01390	6.6
83.05003	2.3
85.02938	32.9
87.00868	8.6
88.98809	4.6
89.02439	52.5
93.03460	11.2
95.01401	6.3
96.96007	24.2
97.02981	2.5
98.95626	2.1
99.00877	64.4
100.01204	2.5
101.02438	34.3
109.02946	2.0
111.00867	2.2
113.02436	41.0
115.03961	2.6
119.03458	9.3
121.02966	2.5
125.02431	3.0
131.03499	11.3
135.04504	8.1
137.02405	3.0
143.03510	3.6
147.04491	3.2
148.05261	12.7
149.04553	45.6
151.00310	4.8
155.03621	1.8
156.97302	1.7
159.04231	1.7
161.02463	2.9
161.04552	29.3
163.11243	3.2
173.04512	18.5
175.03851	2.1
177.04111	3.0
178.05042	10.2
179.03442	2.1
179.05646	4.0
179.10820	2.1
181.12308	2.1
190.05136	4.2
191.01987	2.3
191.05589	50.7
207.13745	2.3
212.17638	2.0
225.53439	2.0
226.53572	2.1
233.06607	14.3
237.09593	2.3
293.08749	6.8
299.02118	4.0
305.17828	1.8
311.09521	2.8
327.11136	3.0
341.03119	6.4
342.13437	32.6
389.21582	1.8
443.23016	3.4
467.28705	6.1
485.23831	2.2
503.08420	7.2
503.25208	99.2
504.26300	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	503.249
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
54.97418	0.5
55.01880	4.4
57.03446	9.1
57.27989	0.6
58.00587	2.4
59.01376	55.2
69.03458	2.2
69.15340	0.5
69.42036	3.7
69.42452	1.3
71.01377	82.7
71.05009	0.5
72.76188	0.5
72.99303	2.2
73.02940	34.6
75.00854	1.1
83.01378	7.9
83.05020	2.4
84.95097	1.0
85.02945	36.2
87.00877	3.0
89.02436	53.2
93.03458	1.2
95.01381	8.4
96.96004	12.8
97.02948	1.3
98.19805	1.0
99.00874	87.7
100.01221	1.4
101.02437	37.4
102.02726	0.6
110.83501	0.6
112.01649	1.4
113.02441	50.5
119.03487	7.0
125.02435	1.5
129.01877	0.7
131.03481	13.7
139.11183	0.7
143.03474	4.8
147.29341	0.5
149.04543	57.4
150.04863	0.6
151.00354	1.0
159.03023	2.8
161.04549	36.8
173.04491	1.5
178.99831	0.7
179.05577	4.6
191.05586	49.8
192.05962	1.0
209.15419	1.3
233.06645	18.1
268.30756	0.6
271.02417	0.7
291.18924	0.7
293.08673	5.8
299.01877	0.9
311.09903	1.0
341.02994	2.2
371.20779	3.1
503.09448	3.2
503.24966	100.0
504.25272	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.241
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63737	1.7
73.04183	0.6
78.95895	38.3
85.01131	0.5
85.67469	0.6
96.96945	3.6
112.12971	0.7
117.79819	0.6
150.97998	0.9
152.99576	50.4
153.81731	0.6
171.00621	15.1
174.48309	0.6
194.68660	0.6
227.03221	2.4
229.19647	0.8
231.21136	31.4
232.21436	1.2
245.04280	100.0
246.04720	1.6
275.20111	43.3
276.20462	3.3
359.28320	0.6
364.51398	0.8
386.43390	0.6
437.93115	0.7
503.24109	31.2
504.24448	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	503.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29876	1.1
57.03421	2.3
58.00550	1.5
59.01374	100.0
61.98805	2.4
63.63861	1.1
64.80437	1.0
69.03403	1.1
69.94445	1.3
69.94727	5.9
71.01376	34.7
73.02941	9.0
81.03415	1.4
83.01336	2.5
84.95071	2.8
85.02948	13.8
85.50863	1.1
87.00812	4.4
89.02434	32.7
93.03391	5.3
95.01316	4.6
96.95984	9.6
97.02888	1.8
97.06577	1.3
98.19991	1.6
99.00802	5.3
99.04444	1.1
100.63337	1.1
101.02435	26.5
103.03946	1.9
107.04987	2.2
111.00748	1.1
111.04534	1.1
113.02429	15.8
113.06059	1.2
119.03489	13.6
123.62032	1.2
127.97851	1.0
128.81912	1.2
131.03450	2.7
133.10161	2.7
135.06619	10.4
135.11761	8.8
143.03435	2.7
149.04451	3.1
149.79829	1.1
159.08022	3.2
161.04581	8.8
161.09688	14.1
173.04510	9.1
177.01788	2.6
179.05559	6.0
179.10757	34.7
187.11115	2.7
189.09085	2.5
191.05595	11.1
193.12190	1.3
203.10591	4.0
205.12175	2.3
207.10025	1.7
221.11606	3.2
249.11131	1.4
253.09064	4.0
279.10574	5.2
279.13330	1.4
285.03857	2.1
297.11896	43.6
298.12048	1.9
311.28333	1.3
323.95801	1.4
402.55978	1.2
441.20795	2.0
443.18405	1.8
459.22269	50.6
460.22226	2.7
503.20822	55.0
504.21094	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
57.03423	2.5
58.00570	2.4
59.01376	100.0
60.01674	1.6
61.98810	1.6
69.59953	3.3
69.60364	4.7
71.01376	52.4
72.99271	1.9
73.02935	11.8
75.00833	1.7
78.95827	1.5
81.03451	1.5
83.01348	4.6
85.02940	20.7
87.00832	4.2
89.02437	43.5
93.03423	3.2
95.01327	3.8
96.96013	17.0
97.02917	1.1
98.20561	2.3
99.00872	6.1
99.04420	1.6
101.02435	33.2
103.03954	1.9
111.04477	1.6
113.02431	22.5
117.05541	2.5
119.03496	16.0
120.05751	1.9
125.02393	1.5
127.04058	1.4
131.03435	3.3
133.10176	4.5
135.06635	24.4
135.11790	20.0
143.03404	3.9
149.04483	2.4
149.09637	2.4
159.02885	1.4
159.08131	6.4
161.04553	11.4
161.09718	20.4
161.18149	1.2
173.04420	4.6
178.99776	1.6
179.05582	7.9
179.10759	68.4
180.10951	1.7
191.05634	7.7
193.12259	2.3
203.10840	5.9
221.11823	2.3
279.10815	13.4
297.11884	94.9
298.11990	3.0
312.23499	1.1
383.20218	1.8
401.21442	1.6
443.22513	1.6
459.22379	6.1
503.20837	62.4
504.21271	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41489	0.4
55.59023	0.3
58.00886	0.3
58.47617	0.3
59.01365	1.6
59.70187	0.3
61.98814	0.9
71.01368	1.2
72.00902	6.9
74.02071	0.6
74.02470	7.7
78.95900	0.5
85.76303	0.4
89.02470	0.5
92.37320	0.3
93.03400	0.4
96.96001	3.3
96.96946	0.6
101.02442	0.5
102.08015	0.4
116.05056	31.8
117.05329	0.5
130.06619	0.8
133.02948	0.9
135.04509	7.0
137.02454	1.1
142.05560	0.5
142.06618	10.0
149.06021	1.1
157.07756	0.5
159.09256	7.1
161.02425	6.8
161.04630	0.4
173.04523	1.1
177.01974	0.4
177.05537	2.8
179.03473	10.5
179.84955	0.3
186.05565	0.9
201.04552	0.3
203.08243	100.0
204.08565	3.0
221.04483	3.7
232.33900	0.4
239.11584	0.4
251.05667	1.8
281.06625	8.4
341.08731	3.8
387.55261	0.3
443.11758	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	502.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.0
55.56211	0.0
58.00596	0.0
58.60873	0.0
59.01085	0.0
59.01376	0.9
59.98523	0.1
61.98845	0.0
62.96391	0.0
69.03474	0.0
71.01381	0.2
71.62880	0.1
73.27848	0.0
78.95897	6.9
83.05003	0.2
87.93538	0.0
90.80304	0.0
96.96961	0.1
97.06585	0.1
104.97498	0.0
113.06067	0.1
120.97863	0.0
127.07642	0.2
141.09196	0.1
152.99577	0.8
155.14281	0.0
160.25165	0.0
168.04294	1.8
171.00667	0.1
196.14639	0.0
197.11836	0.1
205.19586	0.1
208.14502	0.0
224.06898	1.2
224.09117	0.1
233.15617	0.0
233.22807	0.3
242.07964	3.3
243.08266	0.1
257.19009	0.0
259.20596	0.5
261.18707	0.0
275.20062	0.4
276.53476	0.0
277.21674	100.0
277.88809	0.0
278.22009	5.9
337.90948	0.0
475.07230	0.0
502.29324	10.2
503.29663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55809	0.9
50.66269	1.0
59.01369	3.0
59.42659	1.1
61.98827	6.5
71.63715	1.1
78.95899	11.2
85.57096	0.9
87.63750	1.0
89.87230	0.9
98.66903	1.2
115.20824	1.0
125.36923	0.9
131.78781	1.0
152.99590	11.6
168.00673	1.5
185.89841	0.9
224.03264	3.5
242.04300	1.7
277.21695	100.0
278.22110	4.7
438.62189	1.2
502.25665	24.6
503.26407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	0.6
60.85625	0.2
61.98820	0.3
65.58555	0.2
69.95742	0.7
69.96143	0.4
71.01380	1.1
73.02945	0.4
85.02955	0.5
89.02450	0.5
93.03478	0.3
96.95938	0.3
101.02447	0.7
113.02458	0.8
128.95778	0.2
131.85190	0.2
135.65829	0.2
152.99634	0.3
161.04669	0.5
173.04518	0.4
181.29469	0.2
191.05589	0.4
221.15559	0.6
247.13594	0.4
265.14551	0.3
285.81537	0.2
300.98914	0.2
388.58954	0.2
399.24011	0.6
441.25262	0.6
501.23669	0.7
501.30429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	0.6
60.85625	0.2
61.98820	0.3
65.58555	0.2
69.95742	0.7
69.96143	0.4
71.01380	1.1
73.02945	0.4
85.02955	0.5
89.02450	0.5
93.03478	0.3
96.95938	0.3
101.02447	0.7
113.02458	0.8
128.95778	0.2
131.85190	0.2
135.65829	0.2
152.99634	0.3
161.04669	0.5
173.04518	0.4
181.29469	0.2
191.05589	0.4
221.15559	0.6
247.13594	0.4
265.14551	0.3
285.81537	0.2
300.98914	0.2
388.58954	0.2
399.24011	0.6
441.25262	0.6
501.23669	0.7
501.30429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70977	0.4
57.65719	0.4
59.01374	100.0
60.01719	1.0
61.01817	0.4
61.98835	1.8
69.56471	2.4
71.01374	2.6
73.02946	2.1
78.95885	1.9
83.01390	0.8
85.02964	1.3
89.02451	1.7
93.03471	0.7
96.96004	8.2
96.96972	0.7
101.02431	3.2
101.35406	0.3
104.39148	0.3
111.00880	1.6
113.02406	2.0
114.52748	0.3
119.03516	0.7
131.03603	0.4
135.08305	0.4
143.03578	0.5
149.04700	0.4
152.99541	2.5
161.04684	0.8
173.04568	1.6
179.05594	0.7
191.05698	1.0
291.19681	0.4
301.15628	0.8
346.49191	0.5
399.23935	0.8
441.29303	0.8
454.89587	0.4
459.29657	0.9
463.21387	1.0
501.30917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
57.03435	2.5
58.00561	1.9
59.01376	92.5
61.98808	4.0
67.01886	2.3
69.59812	9.0
71.01373	53.0
72.99305	1.7
73.02943	34.6
75.61238	1.3
82.95403	5.1
83.01392	1.9
85.02938	19.2
87.00837	3.1
88.98817	1.3
89.02438	84.6
93.03462	4.1
95.01365	5.2
96.96001	31.4
99.00871	95.1
100.01195	1.9
101.02438	21.8
113.02441	45.5
114.02816	1.2
119.03486	5.4
125.02425	1.6
130.08707	2.3
131.03497	19.5
135.04524	2.3
137.02541	1.3
143.03450	2.6
149.04543	100.0
150.04768	1.4
161.04532	19.5
163.11266	6.8
173.04524	9.9
179.41354	1.2
181.46594	1.2
191.05583	43.6
209.11813	1.3
219.13794	4.1
233.06621	19.8
277.09274	1.7
293.08755	5.7
312.30853	1.4
327.21658	2.1
403.11414	1.8
417.08231	1.5
457.20987	1.6
499.77954	1.4
501.23285	9.1
501.30392	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	501.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35841	0.8
57.03445	1.4
58.00583	2.4
58.24614	0.9
59.01374	65.4
59.69201	0.8
61.82138	0.9
71.01377	56.5
71.62759	1.1
72.99309	1.3
73.02942	26.1
73.97224	0.8
80.96519	2.3
83.01433	0.9
85.02948	18.4
87.00880	2.3
89.02438	94.6
90.02750	0.9
95.01384	7.6
96.95992	1.0
99.00873	92.4
101.02436	15.6
113.02442	38.5
115.04021	1.0
119.03502	3.4
131.03508	22.0
137.09711	2.0
143.03494	2.2
149.04541	100.0
150.04903	1.5
161.04535	17.5
173.04533	2.1
191.05600	37.3
192.05946	1.0
214.94946	0.9
233.06636	17.8
248.71243	0.9
262.98254	0.8
293.08701	5.5
328.66641	0.9
501.17377	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	501.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	86.4
70.03538	2.7
84.16322	0.6
90.97130	1.6
98.20652	0.6
132.98177	1.5
134.97072	2.7
156.99892	0.6
157.03557	3.4
159.01465	1.4
174.99237	23.2
176.98140	0.9
192.96063	0.9
201.02539	37.1
202.02654	1.4
215.04192	0.7
217.00276	100.0
218.00659	2.0
234.97121	1.2
237.01019	1.0
239.02554	0.7
250.95224	1.0
276.98199	3.0
292.96216	4.4
334.97119	1.6
343.03754	3.7
359.01419	75.3
360.01608	4.8
370.22379	0.7
399.04764	2.3
500.98892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03428	1.5
58.00613	1.4
59.01374	88.0
60.01704	1.3
61.98819	2.3
63.68345	1.1
69.03418	1.3
69.68825	6.5
71.01374	48.3
72.99280	1.5
73.02939	40.9
79.95732	3.0
80.96494	2.9
82.34444	1.1
83.01380	5.3
85.02941	15.2
87.00853	2.4
89.02436	61.3
95.01395	4.0
96.96004	72.3
97.02963	1.6
99.00867	100.0
101.02429	20.9
104.26644	1.3
108.07854	1.2
113.01671	2.4
113.02431	29.9
119.03481	4.8
121.02936	1.8
125.02446	3.3
130.08733	1.9
131.03484	20.2
133.02870	1.1
135.93420	1.4
143.03465	3.5
149.04538	68.1
161.04518	14.7
161.96011	1.1
173.04478	3.6
177.01935	6.4
185.48022	1.5
191.05583	43.6
192.05989	1.5
203.05573	13.4
207.10400	1.3
209.11824	7.1
227.12842	2.6
230.31731	1.2
233.06599	11.2
273.09634	1.7
276.72266	1.3
283.10696	1.5
293.08826	2.7
403.11453	3.4
415.15958	5.4
457.16983	24.2
457.22885	2.3
458.11197	1.2
458.17474	3.1
501.18842	9.1
501.25333	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	500.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01378	100.0
60.01704	4.7
61.83626	0.8
61.98827	5.2
69.03455	1.0
70.36206	2.8
71.01387	6.0
71.05021	11.5
73.02934	3.2
74.02428	1.0
78.95908	1.8
83.05009	1.7
84.04532	1.4
85.02943	3.1
85.06586	1.2
88.04032	0.9
89.02432	2.8
93.03437	2.4
95.49547	0.9
96.96011	2.7
97.06601	5.6
98.20592	1.1
99.70341	0.8
99.95072	0.8
101.02404	4.3
110.06110	2.3
111.04491	1.7
113.02441	3.1
113.09690	5.3
114.09244	1.3
115.07626	6.9
118.98119	1.1
119.03470	0.9
122.06141	1.2
127.07668	1.5
128.03529	4.3
135.04419	1.1
139.11270	3.0
140.10806	19.0
143.10896	1.6
155.10704	1.2
161.04555	2.3
165.12816	2.2
167.10782	2.2
173.04526	5.3
173.72015	0.9
179.05618	0.8
181.12300	2.3
182.15549	1.5
183.10246	4.8
183.13887	4.4
184.09813	1.6
185.11842	6.7
191.05580	5.4
192.13899	1.2
195.13892	6.9
199.13409	4.2
208.17053	1.1
210.14970	6.8
211.15114	0.9
213.15057	1.5
227.12943	1.1
243.12367	10.1
245.13985	7.7
252.16034	2.6
255.16019	3.4
270.17130	3.3
273.17044	2.2
280.19388	1.4
315.18100	31.1
316.18408	1.4
322.20456	1.3
327.21500	0.8
340.21204	8.1
358.22299	1.4
402.21469	1.9
456.29727	1.3
458.20938	1.5
470.27301	1.1
482.27454	1.3
500.22543	2.2
500.28638	59.5
501.29233	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	500.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33352	0.6
57.03434	2.7
57.05817	0.7
59.01375	100.0
60.01712	3.7
61.21636	0.7
61.98822	3.1
62.22559	0.6
62.94710	0.7
69.40418	4.4
69.40828	1.0
71.01379	4.5
71.05013	10.8
73.02959	1.6
83.05012	1.3
83.49358	0.6
84.04565	2.0
85.02951	2.4
85.06596	0.7
89.02439	1.9
93.03445	3.1
96.96019	1.3
97.06590	4.8
99.04521	1.2
101.02447	3.3
102.02837	0.6
110.06114	3.1
111.00925	0.8
111.08170	0.9
113.02469	2.1
113.09723	4.4
114.09271	1.5
115.00405	0.7
115.07647	7.8
119.03475	0.7
122.06111	1.6
128.03525	4.4
137.09764	1.2
139.11284	2.4
140.10802	19.9
143.10789	2.5
151.11217	0.8
155.10783	1.3
157.12434	1.0
161.04593	1.0
165.12834	2.5
167.10710	2.0
173.04587	4.1
181.12358	1.8
182.15506	1.5
183.10257	5.9
183.13893	6.7
184.09766	1.6
185.11821	8.2
189.56808	0.7
191.05595	4.9
195.13867	9.0
199.13388	4.9
202.10735	0.7
208.17075	1.8
210.14981	9.6
211.17075	1.6
213.14978	1.6
243.12332	10.9
245.13965	9.4
246.59489	0.7
252.16037	4.6
255.16020	6.2
270.17181	3.5
272.14920	0.8
273.16934	1.7
278.21344	0.8
280.19131	1.9
299.18457	0.8
310.08484	0.7
314.16031	0.9
315.18091	37.4
316.18369	2.3
322.20120	1.7
340.21262	10.0
371.97223	0.8
384.19971	0.8
402.21268	2.3
424.43994	0.7
438.28354	1.2
453.98349	0.9
456.29550	1.6
470.27530	1.2
500.28613	69.2
501.22592	1.1
501.29330	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	499.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05430	0.2
59.01374	100.0
60.01720	0.6
61.98824	1.1
64.99192	0.2
69.33807	0.8
69.34240	1.2
71.01374	2.3
71.05010	0.6
73.02934	1.4
75.00856	0.2
83.01378	0.6
85.02956	0.8
87.00825	0.2
88.98803	0.4
89.02424	1.2
93.03476	0.6
96.30387	0.2
96.96037	0.3
99.00935	0.2
101.02425	2.0
111.00896	0.4
113.02409	1.0
119.03506	0.6
121.02972	0.5
143.03516	0.3
161.02409	0.2
161.04527	0.7
165.12845	0.4
173.04523	1.6
179.05595	0.4
183.13837	0.6
185.11868	0.5
191.05611	1.4
202.99852	0.4
209.11960	0.3
227.12805	0.5
245.13910	0.7
252.15956	0.4
270.17148	0.5
279.03036	0.2
307.02557	0.8
323.02191	0.7
352.02249	1.6
353.02954	2.1
397.22632	0.4
439.23425	0.4
471.09872	0.2
499.08862	1.8
499.15927	0.3
499.25900	0.7
500.28748	1.9
510.86487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58815	0.5
55.74533	0.5
57.16804	0.6
57.34605	0.6
59.01375	67.7
67.75473	0.6
71.39910	1.1
76.04813	0.5
77.99130	0.5
78.95895	9.0
85.75897	0.6
91.24516	0.5
96.96976	0.7
99.53750	0.6
134.57585	0.5
144.52654	0.5
152.99585	9.6
171.00620	2.4
175.23615	0.6
193.98276	0.6
227.03186	1.3
245.04312	6.5
253.21712	0.9
271.22751	100.0
272.23013	5.5
333.37473	0.6
490.17184	0.6
499.26749	42.0
500.27179	3.5
509.22845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89315	0.1
59.01377	100.0
60.01720	0.7
61.98828	0.4
63.61764	0.1
70.28446	0.1
71.01376	1.1
71.62958	0.2
73.02952	0.4
78.95919	0.2
83.01374	0.3
84.02210	0.1
85.02960	0.7
87.00905	0.2
88.11300	0.1
89.02441	0.3
93.03539	0.2
96.96015	0.4
99.00912	0.2
101.02435	0.8
109.76594	0.1
111.29995	0.1
113.02441	0.4
115.07664	0.4
137.02443	0.1
140.10902	0.1
152.99640	0.2
161.04588	0.4
169.12373	0.2
173.04570	0.4
183.23921	0.1
191.05679	0.6
199.13441	0.2
211.13466	0.4
243.12560	0.2
315.18069	1.0
340.21472	0.3
397.22260	0.8
414.16910	0.2
439.23502	0.6
499.25781	0.7
500.28793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
58.93817	0.2
59.01376	100.0
60.01709	0.6
61.98847	0.3
69.52366	0.6
69.52773	0.8
70.26364	0.2
71.01372	2.1
73.02949	0.9
73.87579	0.2
78.81646	0.2
79.05842	0.2
82.95404	0.2
83.01409	0.3
85.02959	1.0
89.02445	0.5
93.03442	0.4
96.96029	0.9
99.00895	0.4
101.02463	0.9
108.99046	0.2
109.61024	0.2
112.17599	0.2
113.02454	0.9
122.61420	0.3
124.04079	0.3
161.04579	0.7
161.13339	0.4
173.04601	0.8
187.11356	0.2
191.05678	0.8
196.63739	0.2
201.63919	0.2
246.85146	0.2
267.10919	0.4
315.18088	0.3
331.24426	0.3
397.22525	0.8
427.08859	0.3
439.23557	1.0
446.16266	0.3
457.20926	0.4
496.61703	0.2
499.27145	1.2
500.28595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01706	0.6
61.98824	2.7
62.36192	0.4
64.58347	0.4
67.01907	0.5
70.15926	1.6
71.01376	4.6
73.02943	2.7
74.02491	0.4
83.01387	1.0
85.02914	1.7
87.00861	0.6
89.02428	1.9
93.03435	2.5
96.96001	2.2
99.00894	0.5
101.02438	3.3
111.00854	0.5
111.04515	0.7
113.02486	1.8
119.03528	0.9
119.33064	0.4
120.99708	0.4
137.02452	0.4
145.15266	0.4
146.51001	0.4
161.04562	1.4
166.13379	0.4
173.04533	5.6
179.05640	0.4
191.04166	0.4
191.05573	2.2
192.06004	0.4
217.05104	0.4
261.00812	0.4
289.18219	0.5
292.19287	0.4
325.20224	1.0
352.79968	0.4
395.20859	0.7
413.21863	0.5
499.25732	1.6
500.28760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01376	100.0
60.01720	0.6
61.98832	0.3
67.01870	0.5
69.38876	2.5
71.01378	3.5
73.02943	3.2
78.03234	0.3
83.01390	1.1
85.02978	1.1
89.02460	1.2
93.03476	1.1
94.98573	0.3
95.01413	0.4
96.96024	0.6
99.00899	0.4
101.02430	4.3
102.45672	0.3
102.98616	0.8
111.00903	0.5
113.02466	2.0
119.03513	0.7
120.25428	0.3
121.03000	0.4
126.17083	0.3
131.03484	0.3
132.32124	0.3
137.02510	0.6
140.10817	0.5
143.03595	0.3
149.04616	0.5
161.04567	1.1
163.07607	0.6
173.04524	3.1
191.05602	1.8
221.06679	0.3
499.25699	0.4
500.28775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43210	0.3
53.55584	0.3
55.01870	0.3
55.36995	0.3
59.01374	32.1
61.98814	0.9
69.75944	0.5
69.76357	1.5
71.01376	2.3
73.02947	1.7
78.95887	2.9
79.14658	0.3
79.95734	3.8
83.01418	0.4
85.02929	1.2
89.02456	0.7
93.03434	0.6
96.96002	100.0
96.96879	3.3
99.00860	0.4
101.02434	1.8
113.02445	0.9
113.92639	0.4
114.93382	1.5
143.03561	0.6
152.99521	0.6
161.04549	1.0
163.11258	1.1
173.04561	0.8
191.05621	1.1
191.96391	0.3
198.99329	0.3
315.18118	0.7
375.05609	0.4
379.77454	0.4
413.14618	0.6
499.33975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50960	0.4
57.03432	0.4
59.01375	2.3
61.98823	0.6
64.80226	0.4
65.00322	0.4
67.01859	0.6
68.11090	0.4
69.99061	1.9
71.01375	1.3
73.02919	0.4
79.94363	0.3
80.56666	0.3
83.04991	0.5
85.02943	8.5
87.00871	1.9
93.03448	4.3
96.96003	0.8
99.04503	0.4
101.02425	0.3
107.01325	0.5
108.02163	0.4
109.02938	1.6
111.04514	1.3
121.02955	0.4
126.28191	0.4
127.04002	1.6
134.03738	0.8
151.00357	2.5
153.38338	0.4
159.04533	0.5
161.22391	0.4
163.00401	0.4
171.03030	0.5
172.05238	0.4
173.04552	5.4
173.06000	0.7
178.99837	1.4
183.04593	0.4
187.03996	2.9
187.07607	4.0
191.05588	100.0
192.05899	1.9
201.05565	0.5
202.06352	4.4
203.06805	0.6
211.04015	0.4
213.09149	0.6
214.00313	0.4
215.07126	0.6
227.03415	0.6
231.10278	1.7
243.02954	1.8
254.02289	0.5
255.02940	5.4
263.12857	2.0
266.65186	0.4
271.02444	10.9
272.03052	0.8
275.09125	0.5
289.10773	1.6
300.02710	25.8
301.03415	10.4
307.11847	4.5
325.12842	1.4
463.08765	28.4
464.09036	3.1
481.17053	4.2
499.18124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1454
Annotation	kn-93
Peak:m/z	Relative Intensity
52.52253	0.5
57.03443	1.7
58.78242	0.5
59.01368	3.2
59.18871	0.5
60.99301	2.6
61.98819	1.6
67.01891	8.7
69.03456	2.2
71.01376	5.0
71.17195	1.1
73.02956	0.7
73.06326	0.5
78.95876	0.8
81.03448	2.0
83.05024	1.3
85.02939	6.5
86.07700	0.6
87.00875	11.3
89.02432	1.3
91.73657	0.5
91.94946	0.5
93.03454	63.6
94.03768	1.2
96.73360	0.6
96.96004	17.4
97.02934	0.8
99.00879	1.5
99.01511	0.6
99.04541	0.9
101.02419	1.1
109.02957	0.8
111.04515	9.8
113.02422	1.0
119.05024	26.3
120.05392	0.9
127.04000	1.5
129.01950	2.1
129.58447	0.5
135.04524	2.4
137.02487	0.9
145.02908	1.5
155.03506	2.7
163.02928	0.6
163.04012	18.0
173.04533	19.9
173.11955	0.6
176.04857	0.8
179.03497	1.6
187.07675	1.3
191.05602	92.5
192.05942	2.4
234.99310	0.9
277.00299	0.8
307.08276	1.3
337.09109	9.8
337.18405	0.6
341.10974	1.0
379.03381	1.0
379.10257	2.0
389.47919	0.6
481.13361	1.1
499.14514	100.0
500.14926	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	498.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.00591	0.5
59.01375	44.3
61.98823	100.0
71.01374	10.8
71.62840	0.8
72.99318	0.8
73.02943	4.6
83.01394	1.8
85.02936	4.4
87.00871	1.0
89.02426	7.8
93.03457	2.3
95.01380	1.1
96.96027	2.3
101.02438	9.4
113.02454	5.3
119.03478	3.0
125.02444	1.0
127.03973	0.6
131.03557	0.6
139.50163	0.6
143.03496	1.7
149.04547	0.9
157.91498	0.5
161.04608	2.6
171.10315	1.5
172.10666	0.8
173.03282	0.6
173.04510	3.4
179.05611	0.8
187.13393	3.9
191.05597	8.1
192.06065	1.1
201.11331	0.8
209.03067	2.4
249.07825	0.9
249.56067	0.7
250.08186	0.6
275.09491	0.5
331.17563	8.1
349.18591	13.2
350.19147	1.0
391.19690	21.9
392.20331	1.7
439.21637	0.9
498.23016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01102	0.3
59.01375	100.0
60.01710	0.7
61.98831	1.4
67.01878	0.4
68.57189	0.3
69.26302	3.0
69.26711	0.5
71.01381	8.6
71.66062	0.3
72.99298	0.4
73.02943	4.0
78.95898	39.2
83.01382	1.4
83.05020	0.4
85.02941	2.9
87.00873	1.1
89.02438	4.2
92.75324	0.3
93.03445	2.7
95.01369	0.6
96.89351	0.3
96.96014	1.4
96.96958	4.7
97.06645	0.3
101.02433	5.9
111.04566	0.4
113.02452	3.8
119.03493	1.6
135.04565	0.5
137.02414	0.6
139.03981	0.5
143.03514	0.5
149.04581	0.5
150.97998	1.5
152.99583	65.1
153.99866	0.6
154.05626	0.3
155.03513	0.6
161.04543	2.3
171.00575	2.8
171.10313	0.4
173.04533	4.7
174.04881	0.5
179.05605	0.8
187.07597	0.9
191.05594	5.4
192.05975	0.7
202.43980	0.3
215.07106	0.9
299.82306	0.4
419.24295	0.7
435.65906	0.4
437.25229	3.4
455.26465	6.1
456.26956	0.5
479.25406	0.4
497.25192	20.7
498.25992	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	497.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16566	0.3
57.03439	0.4
59.01375	36.2
61.98827	2.6
67.01878	0.4
70.59641	0.9
71.01377	6.8
72.40727	0.3
72.99294	0.5
73.02945	4.1
78.95897	50.3
80.96498	0.4
83.01384	1.3
85.02938	2.0
87.00867	0.8
89.02443	3.0
91.05565	0.3
93.03447	2.5
96.96021	1.5
96.96951	6.1
98.19952	0.4
100.80884	0.3
101.02435	5.3
108.54626	0.3
111.04509	0.8
113.02440	4.8
115.26792	0.3
119.03480	1.0
119.26597	0.3
123.66261	0.3
125.02438	0.4
125.06046	0.4
135.04501	0.6
137.02434	0.5
142.10518	0.3
143.03458	0.6
149.04543	0.4
150.97966	1.7
152.99574	100.0
153.99930	1.2
155.03496	0.5
161.04562	1.5
171.00629	4.2
171.10223	0.5
173.04526	6.1
174.04868	0.5
178.02759	0.3
179.03479	0.3
179.05576	0.7
183.40144	0.3
187.07607	0.9
191.05600	5.6
215.07097	0.8
225.14935	0.4
227.07288	0.3
231.10371	0.6
233.15388	0.4
249.14922	3.3
275.09164	0.4
291.15991	0.5
312.35550	0.3
343.24985	0.6
369.00333	0.3
437.25394	2.5
449.14359	0.4
455.26450	2.5
497.25220	32.9
498.25745	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	497.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01102	0.3
59.01375	100.0
60.01710	0.7
61.98831	1.4
67.01878	0.4
68.57189	0.3
69.26302	3.0
69.26711	0.5
71.01381	8.6
71.66062	0.3
72.99298	0.4
73.02943	4.0
78.95898	39.2
83.01382	1.4
83.05020	0.4
85.02941	2.9
87.00873	1.1
89.02438	4.2
92.75324	0.3
93.03445	2.7
95.01369	0.6
96.89351	0.3
96.96014	1.4
96.96958	4.7
97.06645	0.3
101.02433	5.9
111.04566	0.4
113.02452	3.8
119.03493	1.6
135.04565	0.5
137.02414	0.6
139.03981	0.5
143.03514	0.5
149.04581	0.5
150.97998	1.5
152.99583	65.1
153.99866	0.6
154.05626	0.3
155.03513	0.6
161.04543	2.3
171.00575	2.8
171.10313	0.4
173.04533	4.7
174.04881	0.5
179.05605	0.8
187.07597	0.9
191.05594	5.4
192.05975	0.7
202.43980	0.3
215.07106	0.9
299.82306	0.4
419.24295	0.7
435.65906	0.4
437.25229	3.4
455.26465	6.1
456.26956	0.5
479.25406	0.4
497.25192	20.7
498.25992	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	497.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16566	0.3
57.03439	0.4
59.01375	36.2
61.98827	2.6
67.01878	0.4
70.59641	0.9
71.01377	6.8
72.40727	0.3
72.99294	0.5
73.02945	4.1
78.95897	50.3
80.96498	0.4
83.01384	1.3
85.02938	2.0
87.00867	0.8
89.02443	3.0
91.05565	0.3
93.03447	2.5
96.96021	1.5
96.96951	6.1
98.19952	0.4
100.80884	0.3
101.02435	5.3
108.54626	0.3
111.04509	0.8
113.02440	4.8
115.26792	0.3
119.03480	1.0
119.26597	0.3
123.66261	0.3
125.02438	0.4
125.06046	0.4
135.04501	0.6
137.02434	0.5
142.10518	0.3
143.03458	0.6
149.04543	0.4
150.97966	1.7
152.99574	100.0
153.99930	1.2
155.03496	0.5
161.04562	1.5
171.00629	4.2
171.10223	0.5
173.04526	6.1
174.04868	0.5
178.02759	0.3
179.03479	0.3
179.05576	0.7
183.40144	0.3
187.07607	0.9
191.05600	5.6
215.07097	0.8
225.14935	0.4
227.07288	0.3
231.10371	0.6
233.15388	0.4
249.14922	3.3
275.09164	0.4
291.15991	0.5
312.35550	0.3
343.24985	0.6
369.00333	0.3
437.25394	2.5
449.14359	0.4
455.26450	2.5
497.25220	32.9
498.25745	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	497.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03441	0.5
59.01374	100.0
60.01705	3.3
61.01798	2.6
61.98827	2.0
63.21826	0.3
69.03447	0.5
69.44201	2.5
71.01379	12.2
72.01730	1.1
72.99291	0.4
73.01802	0.5
73.02945	8.5
73.03339	0.7
78.95900	0.9
83.01379	3.0
84.01727	0.3
85.02941	4.1
86.03307	0.4
87.00871	0.7
89.02436	4.0
90.02796	0.7
91.02868	0.4
93.03458	2.6
95.01395	0.7
96.96003	1.1
99.00890	0.5
101.02434	9.8
102.02794	1.0
103.02881	0.6
104.38971	0.4
110.98518	0.3
111.00876	0.8
111.04507	0.7
113.02437	6.4
113.65508	0.3
114.02789	1.3
115.02908	0.7
119.03494	1.7
120.03839	0.4
125.02459	0.6
131.03513	0.9
135.04546	0.5
139.11305	0.7
141.93616	0.3
143.03496	1.0
149.04538	1.5
151.07664	1.2
152.08420	2.4
152.99611	0.8
153.08818	1.9
154.09079	0.3
155.03476	0.7
161.04535	2.6
163.97995	0.4
171.10260	2.8
173.04526	3.8
174.04886	0.4
175.31154	0.3
175.46391	0.3
179.05646	0.6
187.77670	0.4
191.05606	4.8
203.10857	0.9
211.13550	0.4
215.07103	0.9
217.12317	0.5
218.12747	0.5
219.13104	0.6
219.81050	0.3
221.06572	0.4
249.14990	0.7
273.18552	0.5
274.18918	0.7
275.19305	0.5
291.19727	0.6
293.20276	0.5
293.75314	0.4
294.20703	0.3
329.23413	2.9
332.48526	0.3
344.33301	0.4
405.65652	0.3
419.23740	1.2
426.37988	0.3
435.23935	1.6
436.24164	2.5
437.24451	15.2
438.24808	0.6
454.25534	1.0
455.25565	6.7
497.26257	6.8
498.26620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12996	1.8
52.33138	1.5
59.01374	24.9
61.98827	17.3
67.01890	2.0
69.03448	1.7
71.01379	86.1
71.63223	2.5
72.99318	4.8
73.02945	6.2
77.42239	1.7
78.07851	1.6
83.01376	1.7
83.05019	2.1
85.02929	9.3
87.00880	6.0
88.98808	2.1
89.02439	9.5
93.03441	16.3
96.96016	10.1
97.02916	2.1
99.00906	3.7
101.02439	14.1
109.02967	4.0
109.06577	9.7
111.00845	1.8
111.04480	3.4
113.02446	7.2
119.03477	3.7
122.03748	1.9
123.00836	2.1
125.09704	2.6
127.11293	3.3
135.04507	3.6
137.02477	8.6
137.09615	2.6
141.59367	1.6
143.03442	1.8
146.03735	2.6
149.02458	1.6
155.03476	3.1
155.10742	5.5
161.04553	4.0
163.11278	5.4
165.01906	2.1
171.10260	100.0
173.04524	25.1
174.03174	4.6
175.07626	2.3
176.04929	1.8
177.01923	17.1
177.05527	4.0
179.05515	2.6
179.73990	1.6
181.12369	3.0
187.07617	2.3
189.05637	3.2
191.05594	32.7
191.07278	2.2
192.05716	1.9
199.09731	27.8
201.11292	24.7
202.02760	1.8
203.07132	7.2
205.04973	2.3
206.05710	1.8
207.10268	23.5
217.10800	5.4
219.06601	1.7
225.11281	17.1
231.06735	1.8
243.12352	4.8
247.04465	3.4
247.15457	2.7
249.07648	40.7
253.09238	26.2
270.47220	1.8
275.09412	2.2
323.16211	1.8
373.05551	2.2
435.18692	2.1
439.90814	1.8
461.20279	5.8
479.21475	1.8
497.16409	2.5
497.22339	26.1
498.22531	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	497.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12996	1.8
52.33138	1.5
59.01374	24.9
61.98827	17.3
67.01890	2.0
69.03448	1.7
71.01379	86.1
71.63223	2.5
72.99318	4.8
73.02945	6.2
77.42239	1.7
78.07851	1.6
83.01376	1.7
83.05019	2.1
85.02929	9.3
87.00880	6.0
88.98808	2.1
89.02439	9.5
93.03441	16.3
96.96016	10.1
97.02916	2.1
99.00906	3.7
101.02439	14.1
109.02967	4.0
109.06577	9.7
111.00845	1.8
111.04480	3.4
113.02446	7.2
119.03477	3.7
122.03748	1.9
123.00836	2.1
125.09704	2.6
127.11293	3.3
135.04507	3.6
137.02477	8.6
137.09615	2.6
141.59367	1.6
143.03442	1.8
146.03735	2.6
149.02458	1.6
155.03476	3.1
155.10742	5.5
161.04553	4.0
163.11278	5.4
165.01906	2.1
171.10260	100.0
173.04524	25.1
174.03174	4.6
175.07626	2.3
176.04929	1.8
177.01923	17.1
177.05527	4.0
179.05515	2.6
179.73990	1.6
181.12369	3.0
187.07617	2.3
189.05637	3.2
191.05594	32.7
191.07278	2.2
192.05716	1.9
199.09731	27.8
201.11292	24.7
202.02760	1.8
203.07132	7.2
205.04973	2.3
206.05710	1.8
207.10268	23.5
217.10800	5.4
219.06601	1.7
225.11281	17.1
231.06735	1.8
243.12352	4.8
247.04465	3.4
247.15457	2.7
249.07648	40.7
253.09238	26.2
270.47220	1.8
275.09412	2.2
323.16211	1.8
373.05551	2.2
435.18692	2.1
439.90814	1.8
461.20279	5.8
479.21475	1.8
497.16409	2.5
497.22339	26.1
498.22531	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	497.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44979	1.1
57.03453	1.1
59.01094	2.0
59.01376	25.9
61.98833	12.4
67.01868	2.5
69.77374	7.2
71.01379	78.7
72.99327	6.3
73.02945	6.9
78.95888	1.9
79.95719	1.6
80.70263	1.1
83.01400	2.5
83.05036	1.5
85.02943	7.2
87.00861	4.7
89.02445	8.4
93.03455	14.0
95.01362	2.0
96.96012	9.9
97.02962	2.6
98.20618	1.7
99.00851	2.5
101.02432	11.9
106.31065	1.2
108.02144	1.1
109.02944	2.0
109.06585	9.0
111.04492	3.1
113.02481	5.9
119.03426	2.2
124.01646	1.7
125.02433	2.0
125.09707	4.7
127.11217	3.2
135.04520	2.4
135.08200	1.4
137.02449	8.9
137.09715	1.4
143.03482	1.4
146.03702	2.3
149.02425	2.2
153.09256	1.4
155.10732	5.3
161.02406	1.8
161.04475	3.5
161.05783	1.4
163.03949	1.8
163.11293	6.0
171.10257	100.0
172.05211	1.8
172.10611	3.1
173.04543	24.9
174.03246	7.6
175.03967	2.3
175.07634	2.2
176.04826	1.8
177.01932	20.2
177.05568	2.2
179.05540	1.3
181.08652	1.6
181.12260	3.2
187.03995	2.6
187.07535	2.8
189.05470	3.4
191.03627	2.4
191.05577	29.6
199.09746	26.3
199.13388	2.3
200.09961	1.3
201.11307	22.5
202.02640	1.6
203.07124	9.3
205.05037	1.8
207.10263	24.5
217.10851	2.1
219.06564	1.8
225.11293	19.0
231.06514	2.4
243.12289	3.0
247.04413	2.4
249.07639	36.1
250.07977	1.6
253.09248	18.7
261.07687	2.0
275.09085	1.9
326.11136	1.2
341.12482	1.3
435.18512	2.3
461.20123	3.4
479.21405	2.0
484.70627	1.3
497.16019	3.7
497.22372	20.2
497.32779	1.7
498.22897	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	497.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38910	7.7
59.01368	85.5
60.99847	8.4
61.98819	16.7
71.01373	20.0
71.63299	11.8
85.02962	15.4
89.02473	8.8
93.03478	16.8
96.96001	33.6
101.02428	13.9
109.06577	22.6
111.00905	11.1
111.04524	10.3
113.02456	11.4
113.04765	8.3
120.99725	7.9
138.93323	8.2
163.11250	14.4
168.08183	7.8
173.04553	42.1
191.05534	49.2
207.10231	100.0
218.11618	8.7
225.11212	18.1
250.64406	8.6
253.09126	41.1
273.44507	8.6
427.07809	9.5
461.20029	86.0
497.17789	37.8
497.26074	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	497.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38910	7.7
59.01368	85.5
60.99847	8.4
61.98819	16.7
71.01373	20.0
71.63299	11.8
85.02962	15.4
89.02473	8.8
93.03478	16.8
96.96001	33.6
101.02428	13.9
109.06577	22.6
111.00905	11.1
111.04524	10.3
113.02456	11.4
113.04765	8.3
120.99725	7.9
138.93323	8.2
163.11250	14.4
168.08183	7.8
173.04553	42.1
191.05534	49.2
207.10231	100.0
218.11618	8.7
225.11212	18.1
250.64406	8.6
253.09126	41.1
273.44507	8.6
427.07809	9.5
461.20029	86.0
497.17789	37.8
497.26074	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	496.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74079	0.7
59.01375	14.4
61.98824	25.1
63.99840	0.9
71.01370	2.8
71.63292	1.0
73.02933	1.1
75.00871	4.4
78.95882	1.2
83.01392	1.3
85.02950	1.6
93.03453	1.0
101.02425	2.3
107.01402	1.4
108.02168	0.8
109.02993	1.0
113.02444	1.5
119.77422	0.7
151.00385	4.7
161.04601	0.9
163.00354	1.0
173.04568	1.8
175.52351	0.8
178.99825	1.7
191.05629	2.7
192.85420	0.7
193.35786	0.7
197.11703	1.0
208.32581	0.7
227.03482	1.4
228.13107	1.0
243.02992	6.4
245.04530	0.8
254.02200	1.8
255.02940	17.3
266.90424	0.8
271.02438	41.6
272.02927	2.6
300.02707	88.1
301.03400	19.8
361.36624	0.9
433.07666	100.0
434.08008	6.7
453.17120	0.9
495.23502	8.0
495.31656	5.1
496.23947	2.5
496.31503	1.7
497.26123	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	495.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	74.2
64.59315	46.8
70.76728	100.0
82.58489	65.5
107.26733	46.2
107.61569	56.3
168.47383	53.5
178.83170	51.0
178.92494	58.4
195.55730	48.9
229.51031	69.6
287.39548	53.9
418.26248	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	495.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61132	1.6
71.18621	2.4
78.95892	37.6
96.96973	4.3
97.14886	1.6
107.91584	1.6
132.50487	1.5
152.99576	58.3
169.52139	1.5
171.00613	16.6
227.03186	2.7
233.17653	1.7
245.04274	100.0
246.04555	3.4
267.20377	3.4
267.23251	69.4
268.23611	4.1
492.25967	1.6
495.27209	56.3
496.27679	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	495.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01376	100.0
60.01691	0.7
61.98816	1.7
69.03457	0.6
71.01377	14.6
71.63346	0.4
72.99306	0.7
73.02944	8.6
73.03339	0.6
75.00874	0.4
77.27721	0.3
77.67218	0.3
78.95904	1.9
83.01382	3.3
83.05043	0.5
85.02946	10.3
85.45909	0.3
87.00890	1.3
87.04514	4.5
89.02440	3.9
93.03475	1.3
95.01391	1.1
96.96007	1.0
97.02982	0.4
97.06576	1.0
99.00877	2.4
101.02441	11.2
109.02956	0.5
110.98521	1.0
113.02441	7.0
119.03478	1.2
121.06579	0.9
121.74505	0.3
125.02448	0.7
125.09727	0.4
129.01930	0.4
129.09222	1.4
131.03467	0.4
133.02969	0.4
135.04535	0.5
137.02446	0.4
137.09711	3.9
143.03499	1.3
145.06583	0.6
149.04523	0.6
152.99561	1.0
159.02934	0.6
161.02451	0.5
161.04530	4.2
161.09732	0.9
171.10243	3.0
173.04539	2.3
183.13855	1.1
185.02153	0.9
185.11769	0.3
191.05576	4.5
209.11717	0.5
211.13364	3.7
217.73711	0.3
221.11725	0.6
229.14375	2.8
239.12753	0.4
273.13470	3.7
273.18460	0.7
289.56033	0.3
291.14484	13.7
291.19531	0.9
292.14960	0.5
327.21735	12.0
328.22015	0.5
333.15475	3.4
373.05270	0.7
405.22610	0.4
417.22479	0.4
423.24048	0.5
435.23569	4.3
453.24594	2.9
454.24689	0.4
477.24789	0.6
495.13745	0.7
495.23660	12.0
496.24243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2594
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
55.01878	0.9
55.87265	0.4
57.03443	1.0
58.00583	1.2
59.01376	100.0
60.01717	0.7
69.03452	0.9
69.38546	1.6
69.38972	2.4
71.01379	24.6
72.01698	0.7
72.99300	0.9
73.02530	1.1
73.02946	22.1
83.01382	6.2
85.02950	5.6
87.00867	1.7
89.02438	11.9
95.01365	1.8
96.25358	0.5
97.02975	0.7
99.00870	1.2
101.02439	22.4
113.02440	16.7
118.92646	0.5
119.03506	5.3
125.02471	0.7
125.06057	1.3
131.03522	1.5
136.05313	2.5
140.12633	0.5
143.03471	2.6
149.04584	2.0
149.06094	1.3
151.07631	9.1
152.08408	14.3
161.04543	5.0
165.09186	1.7
178.09828	0.6
179.05627	2.1
191.79050	0.5
196.36320	0.5
203.10742	4.2
213.53435	0.5
215.10759	0.8
217.12254	3.4
218.13040	2.3
223.83650	0.6
273.18591	3.9
278.47015	0.5
291.19614	4.1
301.16476	1.3
333.20566	0.9
417.22849	1.8
420.21637	0.7
435.23819	32.5
436.24323	2.8
438.22647	1.0
453.24881	25.6
454.25287	2.8
477.24753	1.2
495.25974	34.0
496.26300	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	495.2597
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
55.01879	0.8
57.03452	0.8
58.00590	1.1
58.44358	0.2
59.01376	100.0
60.01704	0.7
61.98853	0.4
64.08575	0.2
69.03441	0.5
69.36074	2.0
70.80624	0.2
71.01379	24.6
72.01714	0.4
72.99313	0.9
73.02943	14.6
78.95889	1.6
83.01385	4.5
85.02946	6.9
87.00863	2.0
87.04513	0.4
89.02438	11.4
95.01383	2.5
97.02954	0.7
99.00859	1.2
101.02437	14.9
102.02801	0.3
112.01672	0.2
113.02439	17.0
114.02810	0.3
119.03496	3.3
121.10249	0.3
125.02464	0.9
125.06084	0.7
125.08904	0.2
131.03479	1.2
136.05301	1.8
139.07620	0.3
143.03479	1.8
146.99538	0.3
149.04558	0.9
149.06070	1.1
151.07637	8.2
152.08418	17.7
152.99576	3.2
153.08853	0.7
155.03520	0.3
161.04546	4.4
161.05870	0.4
165.09196	1.6
166.06422	0.4
167.85051	0.2
170.05911	0.3
171.00648	0.3
173.04604	0.2
177.09299	0.3
178.10001	0.3
179.05692	1.3
185.13434	0.2
191.05591	0.5
203.10768	3.7
215.10721	0.9
217.12317	4.0
218.13106	2.1
231.13890	0.3
238.65118	0.2
255.17398	0.4
259.16949	0.4
262.77313	0.2
273.18555	4.7
273.21201	0.4
275.16501	0.3
283.15527	0.6
291.19626	5.2
301.16489	0.8
313.08408	0.2
313.12042	0.2
333.20737	1.1
405.22632	0.4
417.22772	3.1
420.21497	1.2
423.24084	0.3
435.23819	62.7
436.24173	5.0
438.22437	0.5
453.24887	24.9
454.25339	1.8
454.42212	0.3
477.24905	0.4
495.25983	17.3
496.26749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31086	0.3
58.00589	0.8
59.01374	100.0
60.01712	0.5
62.01241	0.3
69.03449	0.8
69.33748	2.1
71.01376	22.2
72.99301	0.7
73.02940	19.1
78.11864	0.3
81.03483	0.3
83.01379	5.1
85.02940	5.7
85.83952	0.3
87.00888	1.2
88.33723	0.3
89.02438	9.4
95.01379	2.0
97.02940	0.4
99.00909	1.3
101.02436	19.0
113.02438	15.6
119.03486	3.5
125.02448	0.8
125.06113	0.5
131.03534	1.5
136.05289	3.0
143.03476	2.2
149.04570	1.3
149.05818	0.3
151.07632	10.8
151.33530	0.4
152.08417	14.1
155.03432	0.5
161.04539	4.8
161.05661	0.4
165.09238	0.7
179.05551	1.8
203.09134	0.3
203.10835	1.3
217.12393	0.9
218.13019	0.5
273.18713	1.3
283.15527	0.6
291.19617	1.7
301.16772	0.8
333.20853	0.8
417.22931	0.6
435.23792	14.7
436.24271	1.2
451.21671	0.3
453.24930	7.5
454.25269	0.7
495.25894	9.7
496.26276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.3
61.98826	7.4
63.18647	0.4
63.91393	0.4
69.32839	4.0
71.01377	5.3
72.99290	0.5
73.02941	1.4
75.00870	3.7
80.02654	0.9
81.03458	1.2
82.95433	0.5
83.01379	0.8
83.05016	4.9
84.02187	0.5
85.02926	2.0
85.48193	0.4
87.00859	0.8
89.02439	2.8
93.03463	1.5
96.96008	1.7
99.00846	1.1
100.02826	0.4
101.02438	4.4
113.02451	2.5
119.03479	1.0
152.99622	0.5
161.04553	1.9
163.11284	3.2
165.12816	2.6
173.04533	3.1
191.05634	2.7
191.10704	0.5
191.36700	0.4
196.69772	0.5
209.11806	100.0
210.12166	4.1
211.32339	0.4
227.12875	17.4
228.13187	0.9
240.38049	0.4
253.09280	13.9
271.02405	0.9
300.02707	1.3
314.50589	0.4
433.07712	1.6
445.20755	0.5
453.24048	1.0
495.15973	0.6
495.24155	2.2
495.31714	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	495.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03439	3.0
58.00599	0.4
59.01375	100.0
60.01702	0.9
60.40685	0.2
61.98826	1.1
62.38546	0.2
69.03455	0.6
69.35953	0.9
69.36383	1.0
71.01379	14.5
72.99302	0.6
73.02943	6.7
78.42936	0.2
78.95895	0.6
80.96502	0.3
81.03474	0.2
83.01379	2.3
85.02938	4.3
87.00851	0.5
87.04510	3.5
89.02436	5.2
93.03451	0.7
95.01372	1.3
96.95424	0.5
96.96007	5.0
96.96971	0.3
98.19917	0.5
99.00881	0.5
101.02437	8.9
103.04005	47.3
104.04336	0.6
113.02439	11.6
119.03490	1.2
125.02416	0.7
127.04001	0.3
131.03490	0.4
136.05284	1.6
143.03493	0.9
149.04549	0.5
149.06075	0.3
151.07634	6.0
152.08418	12.2
152.99583	0.5
153.08733	0.3
155.03383	0.3
161.04535	3.5
165.09204	0.3
166.44704	0.2
173.04512	1.3
179.05640	0.8
189.49341	0.2
190.53183	0.2
191.05553	1.5
203.10730	0.9
211.13344	0.3
213.14883	0.4
217.12297	1.0
218.12996	0.4
273.18494	1.0
283.15506	0.6
291.19589	0.8
295.10989	0.2
307.17352	0.5
327.21664	0.5
349.18658	0.9
398.85605	0.2
417.22729	0.6
435.23782	11.6
436.23837	1.0
453.24908	4.0
464.18115	0.6
468.95706	0.2
485.02945	0.2
487.02475	0.3
495.25592	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	495.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73923	0.7
59.01367	1.0
61.98810	1.8
69.03441	3.2
71.05013	8.0
71.63628	1.1
78.95897	6.7
83.04996	0.9
119.61755	0.9
152.99554	8.5
171.00662	1.5
187.50064	0.8
195.17447	1.1
221.19022	1.7
223.20644	63.4
224.20845	3.7
227.03099	1.5
245.04268	1.5
265.21704	1.4
267.19620	100.0
268.20026	5.2
280.24924	0.9
368.58618	0.8
369.50699	0.8
432.22601	1.0
495.23523	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02244	0.4
51.74043	0.5
57.03441	3.5
59.01376	100.0
60.01712	1.2
61.98837	1.4
67.01897	0.7
68.99789	0.5
70.48562	0.5
71.01374	4.7
73.02944	5.0
76.77781	0.4
78.95900	3.4
79.95715	0.4
83.01383	1.2
85.02956	3.6
87.00863	1.0
87.04500	2.4
89.02439	1.8
93.03453	1.4
96.96007	6.2
97.06603	0.9
98.20627	1.0
101.02428	3.5
103.04004	58.1
104.04326	0.9
110.98534	1.1
113.02438	2.1
119.03496	1.0
137.02432	0.5
152.99565	1.8
161.04547	0.7
171.00618	0.5
171.10228	2.4
173.04494	1.9
173.52071	0.5
179.05548	0.5
183.13890	1.7
185.02180	0.6
191.05556	3.4
211.13379	3.3
229.14441	2.1
251.16422	0.6
291.19836	0.7
300.02505	0.5
327.21759	9.8
349.18582	0.9
386.14948	0.5
435.22983	2.5
444.30682	0.4
451.21252	0.9
453.23859	1.4
495.17365	0.8
495.24368	8.4
496.24112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	37.7
61.98827	3.8
71.01373	5.9
71.63134	0.8
73.02936	2.9
78.95895	53.3
83.01367	1.1
85.00789	0.4
85.02966	2.8
87.00887	0.7
89.02441	1.7
93.03448	1.7
95.05080	0.4
96.20600	0.5
96.95995	2.3
96.96947	5.4
99.00855	0.7
101.02451	3.0
109.98432	0.5
113.02422	3.8
117.06363	0.5
119.03501	0.9
125.06066	1.5
127.03954	0.5
127.43136	0.5
137.09718	0.8
141.01666	0.7
150.97987	2.3
152.08414	1.8
152.99573	100.0
153.99873	0.9
161.04587	1.1
171.00642	3.7
173.04538	3.2
191.05568	4.0
205.98589	1.7
221.00945	1.0
223.13483	1.2
273.18555	0.9
398.11871	0.8
413.21619	0.6
426.07755	0.6
435.23846	9.0
453.24982	4.3
495.23788	25.9
496.24158	2.0
521.73401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
58.00591	0.8
58.26441	0.4
59.01374	46.9
60.99310	0.5
61.98829	7.0
67.01886	5.7
69.03442	1.8
71.01379	18.3
71.62728	0.5
72.99300	1.4
73.02939	10.1
78.95897	1.8
79.53615	0.5
80.02689	0.4
81.03441	1.4
83.01376	4.3
83.05028	1.4
83.36638	0.4
85.02940	3.9
87.00880	0.7
89.02451	3.9
93.03452	35.1
95.01372	1.6
95.37253	0.5
96.96012	0.9
97.02964	0.5
99.00882	0.7
101.02441	13.2
109.02946	2.1
111.00871	2.3
111.04505	7.7
113.02433	7.0
119.03522	2.1
121.02944	32.2
125.02493	0.6
127.03961	1.1
131.03542	1.1
133.02986	0.5
135.04512	0.7
136.05244	1.1
137.02426	10.1
137.09717	1.5
143.03516	1.5
149.04556	1.0
151.07617	2.2
152.08427	2.1
152.99596	2.7
155.03491	11.2
155.10773	18.9
156.11137	0.5
161.04543	3.3
162.46617	0.5
171.10231	5.4
173.04535	100.0
174.04903	2.0
181.08798	0.5
187.07619	0.6
191.05571	3.0
199.09731	8.6
203.10770	1.4
217.10753	6.4
273.18579	1.1
291.19492	1.1
310.63910	0.4
313.03372	0.9
321.13391	17.2
322.13684	1.0
327.21902	0.7
329.16348	0.6
345.15482	1.0
365.32465	0.5
373.14963	21.6
374.15125	1.0
398.11740	0.8
435.23813	3.9
453.24722	5.2
477.17148	0.5
495.18677	24.5
495.25784	7.1
495.88348	0.5
496.19000	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.56113	0.4
57.03441	1.1
59.01377	92.0
60.01703	0.7
61.98808	1.1
69.41197	3.3
71.01379	8.4
73.02943	4.0
74.99100	1.2
75.00883	0.5
77.05302	0.4
77.10992	0.4
78.40400	0.4
79.41553	0.4
83.01398	1.9
85.02957	5.3
87.00868	1.0
89.02453	1.5
93.03480	0.5
95.01418	0.7
96.95996	1.2
99.00881	1.7
99.04520	1.6
101.02433	9.4
109.06614	0.8
113.02448	3.8
119.03519	0.8
121.06664	0.5
136.99142	0.8
143.03523	0.5
159.02940	0.7
159.77225	0.5
161.04521	5.4
165.12862	1.2
173.04504	1.0
189.12808	1.6
191.05608	1.0
205.07138	0.8
207.13901	3.1
209.11792	6.6
223.08209	9.5
225.14935	6.2
227.12872	30.2
228.13208	1.3
251.13068	0.7
265.09244	3.0
269.13980	1.9
287.14987	1.0
319.17712	0.5
326.85834	0.5
457.20828	0.9
475.21826	11.3
476.22537	0.8
493.22879	100.0
494.23172	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	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98826	100.0
69.37318	1.4
73.47820	0.2
87.34630	0.2
96.95984	0.2
107.01418	0.2
115.56041	0.2
123.65477	0.2
150.77145	0.2
151.00310	0.5
157.11246	0.2
178.99974	0.2
191.05589	0.5
220.30399	0.2
227.03468	6.0
228.03949	0.3
229.05090	0.7
255.02968	9.3
256.03629	1.0
257.04578	0.6
283.02258	0.2
284.03250	11.0
285.04022	8.7
286.04404	0.4
298.55734	0.2
344.04480	0.2
431.09781	18.8
432.09952	1.6
495.72653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68479	0.7
57.03434	1.1
59.01365	2.6
61.98813	4.4
71.10242	0.8
78.95898	42.3
93.43607	0.8
96.96935	1.8
106.96841	0.8
113.09705	2.9
127.96624	0.9
140.01184	2.9
152.99576	6.2
171.00621	5.7
183.10191	1.0
195.13896	18.1
196.03741	1.6
196.14201	0.9
202.97871	0.7
209.11887	1.1
214.04803	4.2
277.21683	16.5
278.22107	1.3
295.22739	100.0
296.20074	0.9
296.23102	5.4
492.27292	52.8
493.27808	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	491.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01376	100.0
60.01701	0.7
61.98829	1.2
71.01390	1.6
71.63767	0.5
73.02943	0.5
83.05058	0.5
85.02951	0.5
87.00813	0.4
89.02451	1.2
93.03473	1.7
99.00867	0.4
101.02456	1.4
113.02439	1.0
115.04028	0.4
119.57819	0.4
140.96950	0.4
145.04973	0.4
146.47101	0.4
167.05855	0.8
173.04549	3.4
191.05504	1.8
209.11748	0.4
211.13458	0.5
239.80437	0.4
275.56955	0.4
293.21075	0.4
311.22449	0.7
317.11594	1.2
317.19901	0.6
326.19150	0.4
372.30386	0.4
431.26471	0.7
449.27646	0.6
491.29202	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	492.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01612	0.2
57.03433	0.7
59.01366	1.0
65.90709	0.2
66.07168	0.2
78.95898	8.8
97.06586	0.4
99.08218	0.3
113.09718	2.1
122.00099	0.3
140.01175	3.0
145.70093	0.2
146.37036	0.2
152.99553	0.8
171.00645	0.5
177.12804	0.6
179.14363	1.3
181.12370	0.5
195.13876	17.3
196.03786	1.6
196.14182	0.8
214.04839	4.6
259.20813	0.4
275.20148	0.3
277.21698	15.2
278.22098	1.2
293.17670	0.4
295.22742	100.0
296.23059	6.3
296.26178	0.5
321.21323	0.2
325.20132	0.4
492.27267	32.6
493.27661	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	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42219	0.6
56.37305	0.5
57.03444	0.7
58.00588	1.0
59.01376	100.0
60.56311	0.6
61.98829	7.0
64.22376	0.5
64.22704	0.6
69.24638	0.6
69.24950	5.4
71.01377	19.1
72.99310	1.1
73.02950	2.8
74.02486	0.6
83.01413	0.8
85.02950	3.8
85.35616	0.5
87.00878	2.6
89.02437	26.3
93.03476	1.2
95.01402	1.1
96.00879	0.5
96.95997	5.5
97.02911	0.7
98.95683	0.6
99.00900	0.9
101.02439	12.4
106.98764	0.5
113.02444	10.4
116.92830	0.6
119.03500	9.8
125.02471	1.0
128.03549	1.1
130.08731	0.7
131.03516	1.2
134.03741	2.0
138.05626	1.5
139.01418	0.5
139.61768	0.5
143.03490	3.7
146.04587	0.9
149.04552	2.0
149.06078	1.6
151.03966	1.0
156.01137	0.6
158.29802	0.6
161.04552	6.1
170.66331	0.5
172.09911	0.6
173.04556	2.3
175.02527	0.8
179.05592	16.9
179.07159	0.9
179.80479	0.6
191.05614	3.2
193.05093	1.7
264.32733	0.6
330.13452	0.9
431.16830	1.1
431.22842	11.2
432.23795	0.7
456.10147	0.5
491.12451	1.0
491.23743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10603	0.4
52.72419	0.4
55.01875	0.4
57.03441	0.5
59.01375	100.0
60.01702	0.6
61.98825	1.2
69.03448	0.9
70.31294	0.4
71.01372	14.0
71.62813	0.4
72.99306	0.8
73.02943	15.8
75.00855	0.4
83.01385	4.7
85.02950	3.1
87.98611	0.4
89.02440	6.8
93.03465	0.6
95.01369	0.5
96.96025	1.7
97.51781	0.4
101.02431	17.0
109.02912	0.6
113.02430	7.2
119.03493	2.6
125.02441	0.5
131.03516	2.1
143.03506	2.1
149.04549	4.3
153.09210	3.6
155.03482	1.0
160.05339	0.9
161.04535	6.0
173.04507	2.1
189.05605	1.2
189.12880	0.6
190.06418	1.0
191.05630	1.9
209.15460	3.4
221.06662	1.5
227.16489	0.5
257.17542	0.5
296.10468	0.6
299.79440	0.4
311.12909	0.5
317.19864	0.7
341.13809	3.8
341.16995	0.4
371.20602	7.3
389.21848	1.4
431.22479	9.3
449.27768	0.7
491.21564	0.4
491.25107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86581	1.1
55.01865	2.2
57.03446	1.9
58.00592	1.6
59.01378	53.8
61.98804	2.2
70.36987	3.5
71.01379	25.9
72.99291	1.7
73.02943	17.3
83.01388	6.3
85.02942	10.6
85.06585	1.9
87.00877	4.6
89.02440	8.5
93.03466	1.3
95.01355	2.0
99.00869	11.1
99.21918	1.1
100.01182	1.3
101.01349	1.3
101.02443	17.6
105.37353	1.0
113.02479	7.0
113.03100	1.3
119.03501	2.3
125.02467	1.6
131.03514	1.5
143.03430	1.5
149.04509	1.4
155.14401	11.6
173.04550	2.0
181.15970	3.2
191.05583	4.3
199.13405	15.9
225.14948	4.1
253.14609	1.3
268.98804	1.1
287.22260	3.4
365.14099	1.8
387.20276	7.6
405.21170	15.9
431.26410	3.7
447.22290	100.0
448.22629	8.0
449.27438	7.0
491.21838	2.1
491.28625	32.7
492.29135	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	491.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
59.01374	24.7
71.63377	1.0
71.99471	0.6
73.02940	2.2
75.26330	0.8
78.54043	0.9
104.05286	0.7
125.67578	0.7
132.64005	0.7
137.09767	0.9
139.11276	19.6
140.11617	0.8
151.00314	0.6
163.11296	1.2
165.09142	0.8
173.04555	0.9
181.12282	9.9
183.10243	22.9
184.10588	1.1
186.04100	0.7
191.05611	1.2
199.13368	6.5
225.11273	5.9
243.12341	100.0
244.12779	5.1
285.13361	2.2
447.18591	6.9
448.19016	1.2
491.22314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02307	0.5
58.00591	1.2
58.67305	0.5
59.01374	100.0
60.01710	0.7
61.98822	2.2
62.95970	0.5
64.05842	0.4
70.79561	1.1
71.01378	15.5
72.99309	1.0
73.02938	15.9
73.03335	0.8
75.00851	0.6
83.01384	5.0
84.47460	0.5
85.02945	5.1
87.00900	1.0
89.02431	6.7
91.62922	0.5
93.03452	1.1
95.01395	1.0
96.95992	4.4
97.02972	0.6
99.00901	1.1
101.02433	16.8
113.02444	10.6
119.03506	3.3
121.15121	0.5
125.02440	0.9
131.03514	2.0
135.04520	2.4
137.09698	3.5
143.03461	2.6
149.04549	4.0
151.00438	1.9
153.09224	0.7
155.03514	0.8
161.04529	8.0
173.04567	1.9
179.03540	1.5
189.12897	1.0
191.05557	2.4
221.06631	1.6
257.17816	0.7
287.05557	1.3
287.22314	0.6
347.93387	0.5
371.20709	3.1
389.22015	0.7
406.64856	0.6
411.20609	0.8
431.27191	6.3
443.51062	0.5
449.27762	2.2
470.55988	0.5
491.16260	0.7
491.28519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39123	0.4
59.01378	1.0
70.18004	0.4
78.95901	5.9
85.97112	0.4
92.14442	0.4
144.17554	0.4
152.99568	1.1
154.02757	1.6
183.98889	0.4
210.05347	1.3
213.01701	0.6
228.06438	2.9
266.99234	0.5
277.21677	4.2
279.23254	100.0
280.23636	6.0
412.54285	0.5
416.44806	0.5
473.23099	1.7
490.29340	11.4
491.23413	0.5
491.29752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42959	0.6
57.03435	1.4
58.00584	0.6
59.01376	100.0
60.01698	1.2
61.98823	5.7
63.17469	0.7
69.03459	1.2
70.53901	1.6
70.54255	0.7
71.01379	15.7
72.99297	1.1
73.02948	13.2
74.02429	0.6
75.00874	1.3
78.95901	0.6
79.95741	0.7
83.01395	5.1
85.02953	5.1
87.00880	1.3
89.02435	6.5
93.03477	1.6
95.01389	1.7
96.96001	12.0
96.96577	0.9
99.00874	1.1
101.02432	14.9
106.21976	0.6
111.00903	0.7
111.04536	0.8
113.02448	11.0
119.03510	2.9
125.02426	1.8
131.03513	2.1
135.04532	3.9
137.02415	0.7
137.09706	3.3
143.03519	2.3
147.62160	0.6
149.04536	3.5
151.00459	1.3
152.35158	0.6
161.04547	6.4
167.10826	0.7
173.04498	4.0
179.03514	1.8
179.05612	0.7
189.13054	0.6
191.05573	5.3
191.06784	0.5
199.07655	1.0
203.05693	1.3
209.15535	1.0
221.06770	2.1
231.35876	0.6
256.03961	0.7
287.05499	1.2
312.03036	0.7
329.10635	0.7
337.09296	0.6
341.14020	0.7
371.20743	3.4
389.22250	0.7
411.21152	0.9
431.10168	0.7
431.21957	1.0
431.27179	7.6
447.12750	0.7
449.27786	4.4
490.27914	0.6
491.15851	2.0
491.22430	1.6
491.29019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03220	0.2
56.48420	0.3
59.01363	1.2
61.98816	1.1
62.96391	0.3
69.50246	1.4
69.50648	0.6
71.01364	0.4
78.95896	13.1
96.96964	0.4
113.09701	0.4
122.00126	0.4
140.01180	3.9
152.99585	2.1
171.00626	1.0
177.12898	0.3
179.10835	0.3
179.14426	0.9
181.12247	0.4
195.13879	9.3
196.03780	2.1
196.14485	0.9
205.12305	1.2
205.15932	0.5
211.13336	0.4
214.04855	5.8
223.13377	8.3
224.13834	0.4
228.13678	0.7
231.20998	0.3
239.12871	0.5
256.13150	1.2
265.21655	0.6
275.20132	4.3
293.21201	100.0
294.21539	7.3
490.25729	36.7
491.26068	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	490.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69115	0.6
58.70072	0.6
59.01362	2.6
61.98820	7.6
69.92787	0.6
71.05002	1.1
71.10030	1.1
72.58276	0.6
78.95898	100.0
93.03444	1.2
96.96951	8.5
120.68063	0.6
121.21389	0.6
140.01167	2.2
152.98340	0.8
152.99580	16.1
171.00624	19.3
173.04546	0.8
191.91347	0.5
214.04785	2.8
223.17047	1.1
235.17000	7.8
268.07187	2.1
269.07693	0.6
275.20117	8.4
276.20392	0.9
293.21213	31.2
294.21490	1.6
416.22015	1.8
490.25723	74.3
491.25891	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	489.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18477	0.4
59.01373	100.0
60.01711	0.8
61.98818	0.6
64.28717	0.4
70.59669	0.4
70.99828	0.6
71.00159	0.8
71.01359	2.5
73.02940	1.0
85.02963	1.3
87.00839	0.5
89.02432	1.0
96.96029	1.0
101.02437	2.3
113.02441	1.3
114.43221	0.5
119.03500	0.6
149.13370	0.6
161.04604	1.0
173.04625	0.8
191.05608	0.9
369.19144	1.0
387.20340	1.9
429.21353	2.0
443.27805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63982	1.8
59.01372	15.8
61.88936	1.8
61.98822	9.3
70.46698	1.8
71.01365	1.8
71.05016	2.9
78.95897	39.6
93.03435	4.0
95.87861	1.8
96.96005	2.6
98.19817	3.8
98.27844	1.9
120.02974	1.7
127.80850	1.8
140.01157	6.1
152.99530	7.4
168.86566	1.7
168.88300	1.7
171.00595	5.6
173.04546	4.0
191.05663	3.2
196.03804	5.4
214.04878	9.6
231.21039	2.9
235.16989	62.3
236.17328	3.2
267.06335	2.1
275.20111	85.8
276.20544	4.5
293.21188	100.0
294.21436	6.0
490.25720	80.9
491.26135	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	490.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81203	0.2
55.02099	0.2
57.03441	4.2
59.01373	2.7
61.98829	1.3
65.79561	0.2
69.25875	2.0
71.01407	0.2
75.93305	0.2
78.95895	11.4
83.05034	0.3
93.03442	0.2
96.96964	0.3
97.06573	0.8
103.54803	0.2
109.06560	0.6
113.09714	15.8
114.79877	0.2
121.10244	0.3
122.00078	0.3
125.09690	0.3
135.11778	0.5
139.11292	1.5
139.12227	0.3
140.01178	3.0
141.09186	0.3
149.09671	0.5
152.99585	1.4
155.10718	0.3
165.12801	0.3
166.21503	0.2
167.10765	2.5
171.00609	0.8
171.10225	1.1
177.12886	1.0
179.10756	2.1
183.13821	0.3
195.13823	2.2
196.03799	1.5
214.04829	4.2
223.13354	0.3
249.22231	2.4
275.20071	2.0
293.21185	100.0
294.21530	6.6
322.12964	0.2
490.25690	23.4
491.26065	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.01088	1.6
59.01373	21.8
62.17289	1.0
66.42767	1.0
71.01379	95.3
71.62338	1.7
71.81126	1.2
72.98925	1.9
72.99303	28.5
78.95924	1.3
84.17928	1.1
84.27385	1.0
85.02928	3.9
87.00381	1.8
87.00871	27.9
89.02436	9.8
89.52216	1.2
91.44636	1.1
96.95988	3.8
101.02436	4.3
101.06062	1.8
102.05593	3.9
102.70404	1.3
113.02415	3.9
115.00362	27.8
119.03476	3.7
126.59081	1.0
128.03526	3.5
129.01944	6.8
129.03859	1.8
133.01408	2.8
143.03421	2.0
146.04585	9.0
146.86655	11.2
147.02989	100.0
147.04878	3.9
147.06631	20.4
148.03305	2.4
159.46201	1.1
161.04520	1.2
173.04536	2.4
179.05614	5.7
191.05560	8.6
217.16006	1.2
341.10855	36.3
342.11050	1.7
489.13223	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	489.1035
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
51.37717	0.2
52.70135	0.2
52.84570	0.2
53.58524	0.2
58.89458	0.2
59.01373	9.2
61.98812	0.8
63.02378	0.5
65.00316	0.4
68.79553	0.2
69.41585	1.8
73.02925	0.6
79.01906	0.2
83.01365	0.4
85.02936	0.7
89.02448	1.1
91.01902	0.3
93.03436	1.3
96.95968	1.1
98.20567	0.4
99.00784	0.2
101.02419	0.9
107.01376	2.2
109.02926	0.5
111.04510	0.3
113.02422	0.6
117.03461	0.3
119.03506	0.4
132.02168	1.5
135.00845	1.7
135.04488	0.5
137.02423	0.5
143.04994	0.7
144.32516	0.3
145.02911	0.3
151.00342	1.9
153.01909	0.4
154.04205	0.2
155.04878	0.3
157.06540	0.5
159.04498	1.0
161.04544	0.5
163.00360	2.5
164.01134	0.6
165.01909	0.4
167.05031	0.4
169.01382	0.3
169.06548	0.5
171.04462	0.6
173.04555	0.6
175.03925	0.4
179.05516	0.4
179.10751	0.6
183.04500	1.0
184.05174	0.3
185.02393	0.4
185.06067	1.7
187.03979	2.0
189.05502	0.5
190.99847	0.5
191.05589	1.3
195.04413	0.5
196.05396	0.3
197.06062	1.0
199.03949	1.2
200.04773	0.4
201.05547	0.6
211.03969	2.4
213.01944	0.3
213.05498	1.5
227.03467	30.2
228.03923	1.2
229.05028	8.6
230.05307	0.4
239.03474	1.7
240.04210	0.7
241.04929	1.3
243.02965	0.4
255.02954	62.4
256.03558	5.1
257.04510	5.4
258.04947	0.3
267.02933	1.0
283.02365	0.8
283.10147	0.8
284.03223	82.8
285.03992	100.0
286.04333	4.4
327.04980	0.7
429.20984	0.4
445.20850	0.3
447.09485	0.4
489.10330	46.8
490.10632	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	488.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50904	0.3
59.01365	1.1
61.98820	0.4
62.52548	0.3
67.52574	0.3
78.95458	0.5
78.95896	7.4
79.33085	0.3
98.20593	0.9
152.99565	0.8
154.02737	2.1
160.82878	0.3
160.84096	1.6
210.05336	1.6
228.06419	3.4
233.22729	0.5
259.20914	0.3
275.20154	0.3
277.21674	100.0
278.22058	6.0
303.02988	0.3
473.88837	0.3
488.27686	12.3
488.34610	11.6
489.28140	1.2
489.34738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98825	100.0
71.63380	0.3
71.63789	0.3
78.95911	1.2
101.02456	0.4
152.99548	1.8
186.35158	0.3
253.09386	0.8
253.21695	9.6
431.21899	0.4
443.97290	0.3
489.17957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96913	0.6
55.48991	0.6
59.01373	1.1
63.21421	0.6
70.70067	0.8
71.21548	1.2
74.02487	1.0
83.71668	0.6
85.02936	0.7
101.02437	2.7
102.05606	34.9
128.03528	28.4
145.01399	2.5
145.06195	1.3
146.04582	100.0
147.04916	1.6
169.48767	0.6
171.58498	0.7
191.05580	3.2
268.22458	0.6
474.16064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62554	0.7
53.35745	0.6
56.64823	0.7
57.03432	0.9
59.01379	4.7
61.98829	3.3
71.01385	1.0
71.17184	1.1
73.30627	0.7
78.95897	11.1
83.05029	0.8
93.03451	1.6
96.96033	0.7
108.04393	0.6
109.02924	1.2
111.08156	10.3
137.09720	1.2
140.01173	2.8
152.99609	1.2
157.86267	0.8
160.84190	6.0
164.83568	1.3
167.10727	1.9
171.32867	0.7
172.58250	0.6
173.04460	0.9
177.12843	2.2
179.10738	1.9
190.02863	0.7
195.13870	6.4
196.03740	1.3
209.04182	0.8
214.04869	5.0
242.14275	0.7
247.20634	2.9
267.06558	1.4
268.07324	1.1
273.18579	1.4
291.19635	100.0
292.19995	6.5
365.13953	1.2
416.10992	0.8
452.08240	3.0
488.24112	19.7
489.24561	2.1
489.34116	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01365	0.4
61.98824	1.0
67.87837	0.3
70.77188	0.6
70.77538	0.4
71.01394	0.3
74.62292	0.3
78.95912	0.7
96.96006	0.6
149.96565	0.3
152.91731	0.5
160.84206	0.7
194.92831	0.7
277.21735	7.2
427.11029	0.8
487.34232	100.0
488.27838	1.1
488.34528	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	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90859	0.8
55.01865	1.5
57.03460	5.3
59.01376	37.3
71.01375	17.8
71.39407	2.0
72.79385	0.8
72.99297	1.1
73.02946	6.2
75.00887	1.0
81.03460	0.9
83.01369	3.0
83.05016	3.8
85.02947	8.7
87.00864	9.9
89.02466	2.1
93.03449	3.7
97.06580	3.8
99.00883	2.3
101.02438	13.7
106.27090	1.0
107.05017	10.5
113.02447	7.2
113.06080	1.2
120.05784	4.5
135.04524	4.8
135.08180	1.0
135.11798	1.4
137.02409	2.0
141.05507	1.7
145.10207	1.3
152.04829	1.5
159.02959	1.1
161.04535	6.3
161.09700	19.9
161.13341	12.6
163.11337	2.2
173.04543	3.5
179.10757	2.7
187.11259	30.2
189.09204	16.4
190.09567	1.0
191.05582	2.2
203.10727	2.6
205.12308	16.0
207.10246	6.6
223.13269	1.1
237.09782	12.6
249.11272	10.0
267.12408	4.4
311.07568	1.1
343.13828	2.6
469.20749	2.2
487.21768	100.0
488.21960	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35686	0.6
51.43483	0.8
55.01868	1.6
56.95000	0.6
57.03444	4.8
59.01374	37.7
61.58889	0.7
61.98814	0.7
70.85296	1.9
71.01376	14.3
71.05003	0.8
73.02947	6.7
78.44183	0.8
79.05514	0.8
82.96582	0.7
83.01380	3.5
83.05012	3.6
85.02946	9.3
87.00874	8.3
89.02425	3.6
93.03438	1.7
95.01374	1.2
96.95966	0.8
97.02956	0.7
97.06585	4.5
99.00845	1.9
101.02439	15.7
105.07072	0.7
107.05019	9.7
113.02442	6.6
120.05804	5.3
133.10210	1.2
135.04500	4.4
135.11768	1.5
141.05559	1.5
146.07297	1.5
147.08156	0.7
152.04732	2.1
157.06534	1.1
159.02945	0.9
159.08118	1.2
159.11731	0.6
161.04539	7.4
161.08438	1.3
161.09697	19.9
161.13347	13.2
162.09999	1.6
163.11241	2.4
173.04495	1.9
179.10695	2.6
187.11259	33.3
188.11578	2.1
189.09186	18.8
191.05566	1.9
203.10765	1.5
205.12311	15.1
207.10223	6.3
223.13484	0.9
231.10144	1.9
237.07584	0.9
237.09779	13.0
238.10211	0.7
246.83887	0.8
249.11258	10.5
253.90776	0.7
267.12378	3.5
343.13791	2.2
469.20303	1.5
487.21695	100.0
488.21994	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03444	3.8
59.01376	30.0
67.14610	0.6
69.03418	0.6
69.28825	0.7
70.58285	0.8
70.58620	1.4
71.01379	13.1
71.05011	0.7
71.64384	0.6
73.02952	5.5
81.03448	0.7
83.01370	2.5
83.05008	3.0
85.02949	6.8
86.02559	0.7
87.00864	7.1
87.11072	0.6
89.02435	1.5
93.03419	0.6
95.01398	1.5
97.06564	3.6
99.00900	3.2
101.02442	13.6
107.05015	9.9
113.02446	6.9
120.05815	4.4
135.04494	3.7
135.08205	0.8
135.11761	1.8
141.05557	1.5
143.03511	1.0
152.04756	1.2
157.06580	1.1
159.03003	1.0
159.08115	1.5
159.11729	1.9
161.04564	6.9
161.09705	19.7
161.13333	8.7
163.11250	2.2
173.04578	0.7
179.10739	2.8
187.11272	24.8
188.11609	1.1
189.09193	14.2
203.10725	2.3
205.12308	15.4
206.12711	1.5
207.10233	4.1
231.10233	1.0
237.09772	10.8
249.11263	7.9
267.12259	2.7
290.97800	0.8
343.14008	2.1
359.18106	0.8
394.87149	0.8
469.20468	2.0
487.21771	100.0
488.22052	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	487.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
58.20498	0.3
58.34209	0.3
59.01377	100.0
59.76726	0.3
60.01712	0.6
61.98557	0.3
61.98829	1.7
62.57985	0.3
65.30643	0.3
67.01894	0.4
68.99550	0.4
69.35614	2.8
71.01385	3.3
71.05009	0.4
73.02946	1.6
83.01392	0.7
83.05098	0.3
85.02953	1.0
87.00872	0.6
89.02451	1.0
93.03443	2.0
96.96022	0.6
97.02950	0.4
99.00883	0.4
101.02435	1.9
111.04536	0.6
112.98594	0.4
113.02454	1.2
115.04041	1.0
115.46275	0.3
116.92889	0.4
130.08815	0.5
131.03548	0.5
133.03015	0.6
134.03731	0.5
143.03423	0.4
161.02434	0.7
161.04459	0.4
173.04488	2.6
191.05606	2.1
213.11551	0.4
264.31885	0.3
300.02802	0.3
351.49438	0.3
352.08255	0.4
363.12570	0.3
427.23627	0.6
449.14832	0.6
469.15363	0.3
487.16071	0.5
487.25778	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	487.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
57.73337	0.5
59.01374	100.0
60.01727	0.7
61.98835	0.9
69.03458	1.0
69.04418	0.6
70.63325	1.4
71.01379	10.5
72.99317	0.7
73.02943	10.0
73.04466	0.4
78.95859	0.5
79.26865	0.4
80.96497	0.9
83.01385	2.7
83.05040	0.6
85.02937	3.7
86.00119	0.5
87.00884	1.8
89.02439	5.0
93.03429	2.9
95.01408	0.8
99.00893	0.7
101.02438	10.0
113.02429	3.8
115.98975	0.5
119.03518	2.1
119.05042	0.9
125.02393	0.7
131.03546	0.8
133.02924	0.7
135.04538	1.7
135.08252	0.5
137.09709	0.7
143.03542	1.4
147.04576	1.5
149.04533	1.4
151.00336	1.2
161.02496	1.0
161.04500	3.4
161.09691	1.1
163.07634	0.9
163.11328	1.9
165.09224	0.8
173.04555	5.2
176.08464	0.6
179.00026	0.7
179.03500	1.4
179.10754	0.7
187.07672	1.8
187.11273	3.9
190.09941	0.6
191.05580	6.2
202.06393	0.6
205.12320	5.5
231.10400	1.8
233.11833	2.9
237.06145	0.5
250.30728	0.6
255.33528	0.5
259.13541	1.4
265.14590	0.8
275.09384	0.7
277.14526	1.7
303.42560	0.5
307.19128	1.1
323.07837	0.9
405.60272	0.5
417.90063	0.5
427.19827	1.2
486.63351	0.7
487.12619	1.5
487.22043	4.0
487.26202	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	487.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95838	1.0
57.03428	1.2
58.80730	0.9
59.01371	68.5
61.98822	2.5
69.03426	1.0
70.07016	4.7
71.01373	16.0
73.02931	12.1
78.95894	11.9
81.03463	1.2
83.01384	4.3
83.05016	4.8
85.02945	3.8
85.56653	1.1
87.00870	2.4
89.02430	3.6
93.03449	3.9
96.96003	3.3
99.00848	1.6
101.02432	12.7
107.05029	3.4
111.04549	1.0
113.02438	5.5
119.03497	1.7
125.02489	1.0
127.70884	1.1
131.03482	2.1
137.09691	1.4
147.08099	1.2
149.04549	1.6
150.19563	1.0
152.99576	15.3
155.03442	1.2
160.09000	1.2
161.04565	4.1
163.11267	31.9
164.11630	1.6
165.12779	2.3
171.00584	1.1
173.04533	5.5
175.05104	1.0
175.11250	12.4
177.09193	1.1
177.12767	1.2
187.11252	6.5
190.09956	1.7
191.05553	7.1
192.05853	1.4
203.05595	4.7
205.12299	100.0
206.12650	3.4
209.11803	47.5
210.12172	2.7
221.06734	2.8
223.13315	2.5
227.03174	1.9
227.12831	6.0
263.07623	7.9
265.14316	2.0
354.68494	1.0
427.19556	1.4
455.16800	8.8
469.16122	3.4
485.79617	1.1
487.19464	45.5
488.19839	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	487.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90711	0.4
57.03456	0.5
59.01376	21.6
61.98826	2.2
71.01385	3.7
71.62360	0.4
72.99290	0.6
73.02940	1.2
75.00847	0.8
78.95901	7.6
80.02672	1.4
81.03461	1.9
83.01386	0.9
83.05022	7.4
84.02177	1.4
85.02959	1.7
89.02454	0.9
93.03442	2.0
94.83427	0.4
95.05064	0.9
96.96017	1.9
96.96950	0.7
97.02965	0.5
97.06569	0.4
101.02443	1.8
109.06593	0.4
113.02493	1.3
114.93266	0.5
125.06061	1.2
128.03537	1.2
135.08206	1.1
136.10725	0.4
137.09711	0.9
151.91873	0.4
152.99579	10.1
156.16466	0.4
158.01474	0.4
161.04591	1.0
163.11292	5.4
165.12831	3.2
171.00624	0.9
173.04582	2.3
181.12404	0.9
191.05606	2.5
191.10745	1.0
192.05894	0.4
193.06058	0.8
201.11299	0.7
201.20522	0.5
205.12334	1.5
209.11812	100.0
210.12129	4.2
227.03322	0.7
227.12862	22.7
228.13266	0.7
245.04329	1.4
259.15411	1.3
264.86960	0.5
278.48184	0.4
313.03314	0.5
337.17175	0.5
355.10657	0.5
385.18393	0.5
425.77975	0.5
452.20441	0.6
455.16818	7.0
456.16907	0.7
469.16293	0.9
487.19437	56.2
487.30756	3.7
488.20078	3.7
488.26935	0.5
488.30078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24690	0.3
57.03434	0.5
59.01096	0.4
59.01375	6.4
61.98824	0.9
62.03706	0.3
63.96218	0.6
68.57993	0.5
69.46794	0.7
69.47202	2.2
71.01379	7.1
73.02954	2.4
75.00842	0.6
78.95895	3.7
78.98596	4.2
79.95728	6.2
80.96511	44.4
81.03431	0.9
83.01382	0.8
83.05034	0.5
85.02950	3.7
87.00856	2.4
89.02412	2.1
93.03447	1.4
94.98077	10.4
95.71660	0.4
96.96007	11.2
96.96941	0.9
97.02935	1.2
97.06565	0.8
98.02476	0.5
98.19704	0.4
98.95571	1.1
99.00864	1.1
101.02416	4.4
102.05610	0.5
106.98054	1.8
109.02917	0.6
109.35583	0.4
113.02428	1.8
119.03448	0.7
122.97585	3.4
125.02437	2.6
125.09711	3.9
127.04061	0.9
128.03499	1.7
134.97559	3.3
135.04524	0.4
135.08109	0.4
136.99118	1.3
137.02478	0.5
137.71617	0.4
138.06828	0.8
139.07619	0.4
143.03485	0.7
146.04568	0.4
148.99135	4.3
151.00526	0.4
151.07613	0.7
152.98532	4.8
152.99725	2.9
153.09224	3.3
155.08200	0.5
155.10738	0.4
161.04549	0.9
161.09831	0.4
162.97307	0.4
163.11221	0.6
164.98613	10.2
167.16814	0.4
171.00671	0.4
171.10246	4.7
173.04544	2.9
174.04977	0.4
179.10722	0.5
182.99664	1.5
187.09760	2.0
191.05597	5.3
192.05850	0.7
205.12328	1.4
206.99559	2.3
223.13380	0.5
225.00728	18.7
239.73065	0.4
241.01166	1.0
243.01732	1.8
245.04266	0.6
259.19153	0.5
263.11221	0.4
265.14337	0.4
299.04373	2.3
315.04852	0.6
325.20129	0.5
331.83176	0.4
381.34033	0.4
452.20364	1.0
469.14975	1.7
469.23248	1.1
487.14890	100.0
487.24857	5.6
488.15286	6.9
488.25708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35729	0.6
56.38330	0.6
57.03440	1.2
59.01376	100.0
60.06678	0.6
61.98835	1.6
63.25322	0.6
67.01881	0.9
71.63073	0.9
78.41232	0.6
78.95899	0.9
87.00875	1.9
96.70052	0.6
104.73008	0.7
111.00877	20.7
112.01205	1.1
114.80091	0.6
173.00908	1.5
191.05533	1.5
252.16164	0.7
253.16287	0.7
300.02872	0.9
311.22260	1.5
374.42389	0.7
447.09219	0.7
455.33606	0.8
512.91803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01132	0.4
59.01381	5.1
60.99274	0.5
61.98825	19.0
67.01888	4.0
69.03444	1.1
71.01375	3.0
71.04994	0.7
71.83495	0.3
73.02955	0.9
77.54207	0.3
81.03437	0.7
83.05013	0.8
85.02938	2.9
85.06584	1.2
87.00865	0.6
93.03452	25.0
94.03803	0.8
95.54401	0.4
96.95984	0.5
97.06538	0.4
99.00867	3.7
99.08161	0.6
101.02396	0.6
109.02917	0.8
111.00904	0.5
111.04508	9.5
112.04863	0.4
113.02477	1.0
114.09249	0.8
115.07645	3.0
125.01163	0.3
127.04010	0.6
127.07632	4.1
128.10814	0.8
129.05583	1.1
137.02432	4.4
138.09241	0.7
140.10748	0.7
155.03500	3.9
156.10295	9.9
157.10678	0.5
158.11856	15.2
160.03987	1.3
171.06604	0.8
173.04529	100.0
174.04916	2.5
191.01968	0.4
191.05580	11.3
192.05910	0.4
196.09833	0.5
214.10754	1.0
250.17874	0.6
312.18146	16.3
313.18588	0.8
405.10483	0.6
448.09390	0.7
486.23544	4.4
487.25143	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	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60187	1.5
59.01375	100.0
61.98815	5.0
71.01383	17.2
71.63587	2.1
72.99306	2.1
73.02939	11.1
78.95882	1.8
80.96504	3.7
83.01396	3.7
85.02932	5.0
89.02459	9.3
93.03436	5.5
96.95999	2.8
101.02436	10.8
111.00877	5.7
113.02437	7.9
119.03481	2.7
135.04509	3.3
137.02521	7.0
139.04025	2.1
141.01639	2.2
143.03464	1.7
149.04506	3.2
161.04514	3.4
173.04561	9.2
179.05682	1.8
191.05583	3.6
201.11276	4.4
209.11823	7.6
224.08644	1.5
227.12804	2.5
228.07877	3.6
249.14920	5.7
253.09413	2.0
271.02530	1.7
291.61926	1.8
300.02686	3.2
301.03433	3.2
325.14325	2.2
352.07861	3.9
390.62265	1.6
447.09296	4.6
485.25467	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	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60187	1.5
59.01375	100.0
61.98815	5.0
71.01383	17.2
71.63587	2.1
72.99306	2.1
73.02939	11.1
78.95882	1.8
80.96504	3.7
83.01396	3.7
85.02932	5.0
89.02459	9.3
93.03436	5.5
96.95999	2.8
101.02436	10.8
111.00877	5.7
113.02437	7.9
119.03481	2.7
135.04509	3.3
137.02521	7.0
139.04025	2.1
141.01639	2.2
143.03464	1.7
149.04506	3.2
161.04514	3.4
173.04561	9.2
179.05682	1.8
191.05583	3.6
201.11276	4.4
209.11823	7.6
224.08644	1.5
227.12804	2.5
228.07877	3.6
249.14920	5.7
253.09413	2.0
271.02530	1.7
291.61926	1.8
300.02686	3.2
301.03433	3.2
325.14325	2.2
352.07861	3.9
390.62265	1.6
447.09296	4.6
485.25467	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	485.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01377	9.8
61.98816	1.9
67.01885	0.8
71.01384	8.4
71.62971	0.7
73.02942	1.5
78.95901	2.0
79.95740	2.2
81.03450	0.5
83.01362	0.8
85.02946	10.4
87.00862	3.1
89.02443	4.3
93.03451	5.2
95.01365	0.7
96.96005	100.0
99.00872	0.7
101.02431	5.0
111.00905	0.5
111.04512	1.4
113.02470	2.9
119.03487	1.2
122.44761	0.4
125.05560	0.5
127.04002	1.1
129.01903	0.6
131.03496	1.6
134.03729	0.6
147.03056	0.6
152.99611	0.5
155.03508	0.5
159.02921	0.4
160.06422	2.0
161.02441	1.5
161.04570	2.0
161.07193	18.1
173.04538	9.5
175.07381	0.4
175.08774	6.6
176.04778	2.3
177.09151	1.6
187.07593	1.4
187.08945	0.8
189.06680	27.7
190.07039	0.9
191.02052	2.9
191.05597	36.3
192.05949	1.0
202.06329	0.9
203.08356	5.4
205.08687	3.5
209.03047	0.6
210.72964	0.4
216.93214	0.4
221.06662	1.2
229.09827	0.5
231.10143	2.3
233.08119	0.7
243.57472	0.4
249.11281	3.0
261.06097	0.9
263.05957	0.4
267.12354	0.7
275.09293	0.9
293.06677	1.3
293.10284	1.8
305.11377	4.3
311.11478	0.8
323.12567	1.0
387.16556	5.7
449.14752	0.5
467.15726	5.4
468.15585	0.6
485.17725	42.1
486.18021	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	485.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96188	0.2
57.03433	0.3
59.01375	2.5
61.98824	0.8
67.01878	0.4
69.80196	1.5
71.01356	0.9
78.95894	2.0
79.95731	2.6
85.02950	3.3
86.42024	0.3
87.00852	0.6
89.02444	0.4
92.02966	0.3
93.03449	2.1
96.96003	100.0
96.96882	3.3
97.95976	0.3
101.02415	0.4
106.67723	0.3
111.04536	0.7
119.22425	0.3
127.04043	0.4
130.86690	0.3
134.03725	0.3
147.02994	0.3
155.03371	0.3
173.04541	3.9
176.04770	1.1
177.09178	1.0
187.07614	0.8
189.06657	0.3
191.01950	1.1
191.05589	15.9
192.05956	0.3
193.05992	0.3
203.07085	0.3
204.14142	0.3
205.08661	1.8
223.59402	0.3
231.10257	1.0
233.08253	0.4
249.11288	1.8
258.13043	0.3
267.12476	0.5
275.09250	0.6
293.10275	1.1
305.07166	0.4
311.11325	0.5
336.69858	0.2
362.44244	0.3
387.16537	5.5
389.52319	0.3
463.89578	0.3
467.15628	2.1
485.10788	0.3
485.16846	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	485.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01366	1.1
61.98831	1.8
70.45582	0.8
70.45934	0.4
71.01369	0.9
75.00848	0.4
78.95903	11.6
79.95744	3.4
85.02946	4.3
87.00876	0.8
88.98803	0.7
89.02462	0.7
93.03451	1.6
96.96008	100.0
96.96931	20.1
98.20576	0.5
101.02477	0.5
113.02419	0.5
114.59396	0.4
125.02371	0.4
129.01892	0.7
147.02994	0.7
152.99553	0.9
163.14308	0.4
167.03484	1.2
173.04533	3.2
176.04796	1.2
177.09219	0.8
187.07613	0.6
191.02008	2.4
191.03677	0.7
191.05580	8.4
193.06108	0.5
205.08693	1.4
231.10231	0.9
233.08322	0.4
249.11334	1.3
261.06277	0.6
287.05630	0.5
293.10626	0.4
387.16562	0.9
425.20129	0.6
447.15103	1.8
467.15924	1.7
485.16995	0.7
486.17032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35009	1.1
57.03436	2.9
59.01372	13.1
61.98846	5.7
69.93344	3.6
69.93752	2.9
70.07450	1.2
71.01373	3.4
71.05021	13.3
74.02477	1.2
78.95915	2.9
83.05035	3.6
85.02959	1.4
85.06575	2.9
93.03450	1.9
96.08195	2.4
96.95975	1.5
97.06593	3.3
97.35188	1.2
99.08158	1.5
109.06563	1.6
110.06119	6.4
111.00872	4.4
111.08112	4.6
113.09737	1.2
115.07641	17.9
117.07104	4.2
117.72414	1.2
122.06121	5.1
125.09683	1.6
138.09229	1.2
140.10756	3.8
141.12892	1.3
152.99594	3.3
160.84158	3.2
165.12830	20.6
169.12242	1.6
173.04501	3.3
183.13835	7.8
184.09924	1.7
187.17986	1.3
191.05635	3.1
195.17490	1.9
209.11815	21.4
211.17015	6.2
213.18617	3.9
227.12863	59.3
228.13164	2.4
239.16512	5.5
257.17590	36.9
262.21490	1.3
266.05652	1.1
287.16440	4.5
294.20682	2.2
299.18616	100.0
300.18967	6.9
301.03079	1.3
306.20612	5.6
324.21701	19.3
324.25247	1.8
325.22308	1.6
335.20956	1.4
338.19495	2.0
350.19409	2.1
399.23712	1.6
422.28815	1.9
447.09464	1.8
448.04855	2.1
454.22101	1.3
454.27933	3.0
484.22995	1.4
484.29486	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33894	0.2
70.69466	0.7
78.95893	6.3
96.96950	0.3
104.99387	0.3
128.46805	0.3
139.23679	0.3
140.98984	0.4
152.99567	14.3
160.82515	0.3
171.00589	1.3
186.38023	0.3
211.08720	0.3
227.03242	3.7
245.04301	1.3
255.23250	100.0
256.23593	4.8
404.62274	0.3
483.27203	36.5
484.27509	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	483.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.98819	3.1
71.01390	1.1
71.22481	0.7
71.62294	1.1
72.00902	7.0
74.02471	7.3
78.14234	0.6
96.96014	4.9
96.96967	0.7
116.05059	28.7
117.01969	0.6
117.05396	1.1
119.15313	0.7
119.93473	1.3
129.05734	0.8
130.06586	3.6
131.44087	0.7
139.84647	0.7
142.06599	8.4
154.41566	0.8
159.09236	8.0
165.94066	1.0
173.04509	0.9
186.05547	1.3
191.05609	2.9
203.08247	100.0
204.08557	5.3
223.99751	1.7
232.99817	0.8
254.32115	0.7
279.00299	8.0
308.09940	0.7
310.47128	0.8
375.20291	0.7
386.00757	0.7
424.87918	0.9
433.01624	0.7
445.12143	1.4
483.09637	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	483.2378
Annotation	Segetalin B
Peak:m/z	Relative Intensity
56.26917	0.3
57.03444	0.5
59.01372	6.7
60.99298	0.8
61.45273	0.3
61.98829	2.9
67.01883	2.3
68.02218	0.6
69.03453	0.5
69.40382	0.3
69.40694	2.6
71.01377	3.8
73.02933	1.4
78.95895	61.2
83.01396	0.6
85.02935	1.7
87.00883	2.8
88.01188	0.4
89.01286	0.4
89.02444	1.2
93.03451	14.0
94.03780	4.5
95.01364	0.7
95.03951	0.7
96.02682	0.3
96.96027	0.5
96.96949	6.4
99.00903	0.6
99.04543	0.3
99.56679	0.3
101.02425	1.8
102.83028	0.3
109.02943	0.3
111.04498	1.7
111.07047	0.3
112.04847	0.5
113.02431	3.1
115.85152	0.3
119.03465	0.5
121.62199	0.3
123.76964	0.3
124.76231	0.3
129.01917	0.4
133.02960	0.5
134.03687	1.1
135.04459	1.0
137.02411	0.4
141.72672	0.3
143.03499	0.5
150.98001	1.5
152.99573	100.0
153.99939	1.1
155.03479	0.7
161.04504	0.3
171.00636	3.9
171.10220	1.2
173.04518	5.8
174.04883	2.9
175.05000	2.5
176.10820	0.3
178.02649	1.2
178.99881	0.3
179.03221	0.6
179.10701	0.4
180.03577	0.3
191.05658	1.5
209.11823	0.3
211.13483	0.4
229.14365	0.4
255.02957	0.7
271.02530	0.6
286.02261	0.3
300.02637	1.7
301.03488	1.2
306.99582	0.3
329.23285	0.8
447.09158	2.3
451.15015	8.4
452.15259	0.6
483.17621	4.1
483.23602	37.5
484.17810	0.6
484.23834	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	483.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10123	1.1
57.03440	1.8
59.01376	100.0
60.75729	1.2
61.98805	2.6
65.12380	1.3
67.01890	3.4
71.01378	11.9
73.02933	2.2
76.55308	1.2
78.95879	2.6
85.02944	16.3
87.04491	1.8
89.02435	7.5
95.01374	1.3
95.86653	1.1
99.00893	2.9
101.02431	9.8
111.00872	69.7
113.02438	7.4
119.03481	3.5
129.01949	3.3
143.03519	1.4
152.99622	2.4
161.04543	3.5
171.10245	3.5
173.04489	3.9
191.05566	2.5
271.02390	2.9
291.19739	2.7
300.02734	7.3
301.03537	3.6
309.20798	1.6
327.21738	17.7
385.82886	1.4
397.22147	6.9
439.23178	5.4
447.09055	9.2
483.21899	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	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01377	12.8
61.98825	3.8
63.24994	1.3
71.01394	4.7
71.42479	2.9
72.99309	3.2
74.66998	1.4
75.00864	52.6
76.41444	1.5
78.95878	2.4
87.00897	1.6
89.02430	5.3
91.84866	1.8
94.92616	1.3
96.96009	6.7
107.25312	1.5
117.01963	1.9
121.10226	15.9
129.56186	1.7
135.02977	59.8
154.49260	1.6
163.02527	3.0
170.88301	1.8
171.10242	42.0
171.58078	1.5
172.88071	4.7
185.11783	2.3
201.92009	1.7
218.57010	1.7
231.21220	2.3
241.10791	2.0
275.20111	70.0
276.20502	4.4
293.21182	100.0
294.21393	4.5
300.02786	2.9
301.03317	1.7
307.01263	1.5
396.63062	1.4
447.09274	4.6
480.44711	1.8
483.28116	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	483.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
59.01373	4.7
61.76910	0.2
61.98834	2.0
63.01349	0.2
67.01888	2.2
71.00843	0.3
71.63084	0.3
78.95913	0.5
85.02949	1.1
85.26130	0.3
87.00871	10.1
88.01205	0.3
93.03462	0.6
96.96013	0.8
109.29641	0.3
111.00874	100.0
112.01217	1.2
125.09615	0.5
126.93160	0.3
130.99911	0.2
149.29883	0.3
160.46414	0.3
164.52536	0.3
167.84242	0.3
169.12251	0.4
171.10208	0.4
173.00897	9.3
185.11858	0.4
191.05603	6.2
192.08466	0.2
199.13446	0.4
204.44316	0.3
230.25067	0.3
245.13818	0.6
248.99232	0.3
271.02374	0.4
291.19662	1.1
300.02863	0.8
301.03464	1.0
309.20596	3.0
447.03827	0.3
447.08929	1.5
483.22122	1.9
483.27707	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	483.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62460	0.2
55.40695	0.2
57.03441	2.0
59.01379	2.2
61.98825	1.3
67.01889	2.7
71.63763	0.3
75.00877	0.6
85.02944	0.9
87.00877	7.8
88.12556	0.3
110.35694	0.3
110.83612	0.2
111.00875	100.0
112.01243	1.7
129.01907	0.5
134.72928	0.3
135.03011	0.6
152.99597	0.3
154.99838	0.5
173.00905	8.5
195.52272	0.3
208.14139	0.3
220.20718	0.3
222.51988	0.3
255.02893	0.3
291.19937	0.4
293.21265	2.0
300.02679	1.4
301.03796	0.5
309.20789	1.1
432.19852	0.2
447.09192	1.6
483.22110	0.9
483.28152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
58.00586	0.2
58.31948	0.3
59.01374	100.0
60.01718	0.8
61.98827	5.6
66.73746	0.2
71.01374	7.6
71.63126	0.2
72.99296	0.7
73.02940	2.1
76.96054	0.3
78.95916	0.8
83.01387	1.1
85.02948	2.5
87.00872	0.5
89.02433	5.9
93.03465	0.3
95.01381	0.4
96.95994	0.3
99.00890	0.3
101.02435	4.6
111.00884	4.8
113.02437	3.4
119.03485	2.6
125.02488	0.2
129.01927	1.2
131.03519	0.5
135.04506	0.2
143.03514	0.8
149.04558	0.5
152.99615	0.7
161.04565	1.4
173.04593	0.5
179.05600	1.8
191.05640	1.0
207.10313	0.3
225.11214	0.3
227.12920	0.3
289.18091	0.3
307.19354	0.7
325.20230	0.9
326.20029	0.2
357.74487	0.2
363.13751	0.3
377.15070	0.3
421.25708	0.3
439.27301	0.7
449.13913	0.5
481.16370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62540	0.2
53.00094	0.2
53.11473	0.3
59.01368	0.9
61.98807	0.3
70.94333	0.3
70.94659	0.4
71.01374	0.8
74.05142	0.2
78.95898	5.2
79.95732	2.5
85.02939	0.8
89.02448	0.4
93.03433	0.7
94.98080	0.4
96.96005	100.0
96.96906	8.4
101.02444	0.5
135.04475	0.3
173.04550	1.5
182.89528	0.3
191.05589	5.6
197.05339	0.2
209.11810	0.4
237.22369	0.2
240.14725	0.2
247.09866	0.2
273.07483	0.3
309.10156	0.3
351.20108	0.3
465.24481	0.3
483.14655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65834	0.5
52.43924	0.5
55.43866	0.5
59.01375	100.0
61.98832	1.8
63.36930	0.5
66.88067	0.6
71.01379	6.9
71.63034	0.8
73.02928	2.6
78.95899	5.8
85.02949	2.2
87.00887	0.8
89.02444	4.8
93.03462	1.9
96.96990	1.1
97.06629	0.9
101.02428	5.5
111.00895	1.1
113.02438	2.4
116.02505	0.5
119.03508	2.1
131.03542	0.7
135.04593	0.6
140.10815	1.4
143.03566	0.6
152.99585	8.5
153.00758	0.6
153.86996	0.5
161.02490	1.0
161.04610	0.7
171.00732	0.9
173.04564	2.3
179.05637	1.1
191.05611	2.7
191.13445	0.5
215.07196	0.6
302.22635	0.6
430.66998	0.6
481.05786	0.9
481.22104	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03437	2.1
59.01373	100.0
60.01720	2.0
61.98826	40.9
71.01376	29.1
71.63324	2.3
73.02938	23.5
73.69322	1.4
76.57786	1.6
78.95878	9.3
79.20005	1.5
82.53231	1.4
83.01375	6.4
85.02938	15.8
87.00864	2.7
87.46417	1.5
89.02437	5.4
93.03445	5.6
95.01371	2.6
96.95991	3.3
96.96983	2.1
97.02927	1.7
99.00869	10.9
101.02432	27.6
113.02447	16.7
116.51031	1.5
131.03494	2.5
133.02914	3.2
134.03732	1.7
135.04491	5.9
143.03430	3.2
152.99582	10.4
159.02953	2.5
161.02406	3.1
161.04547	9.0
173.04491	9.8
178.02742	1.6
179.03439	6.6
191.05582	21.6
231.10164	1.8
240.04161	1.4
245.13972	2.0
263.14969	29.3
305.15915	4.7
306.07410	3.6
377.17871	1.9
395.19125	34.5
437.20215	73.7
438.20520	5.6
481.16879	2.4
481.22705	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01374	3.1
59.57496	0.3
60.99299	5.3
62.53323	0.3
65.03958	0.8
66.51360	0.4
67.01884	14.1
69.03447	5.0
69.33826	1.3
69.34244	1.9
71.01379	5.8
71.05024	0.6
73.02942	0.4
78.95927	0.5
81.03445	2.6
83.05015	2.4
85.02934	0.9
87.00868	20.0
93.03450	100.0
94.03785	2.2
96.02106	0.4
97.02949	0.4
99.00859	2.5
99.04499	1.6
109.02950	1.3
109.61325	0.4
111.00852	0.8
111.04506	14.1
113.02419	1.9
115.04022	0.9
121.02944	0.6
129.01936	2.9
133.02950	2.8
134.03735	10.0
135.04547	2.9
137.02435	3.0
139.04044	0.9
143.03491	0.9
152.99579	1.0
155.03487	3.5
162.03177	0.5
173.04529	62.0
174.04878	1.4
177.01869	1.8
178.02696	10.5
179.03453	1.6
191.05592	2.0
217.80806	0.3
264.07465	0.4
275.09348	1.2
306.07611	0.7
308.09097	1.0
351.07144	0.7
352.08032	1.2
449.14465	52.3
450.14737	4.5
481.17050	28.0
482.17438	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23919	1.0
54.58204	0.9
57.03425	1.3
59.01369	6.0
60.99306	5.4
67.01887	17.6
69.03441	3.6
69.35242	2.0
69.35648	6.1
71.01367	4.9
78.95924	1.0
81.03434	3.2
83.05019	2.6
85.02940	1.0
87.00870	17.0
93.03451	100.0
94.03749	1.0
96.96016	1.3
99.00866	2.1
99.04514	1.5
101.02375	1.2
109.02937	1.3
111.04512	14.8
113.02425	2.4
121.02960	0.8
129.01895	1.8
133.02892	4.1
134.03719	12.0
135.04546	4.9
137.02411	3.9
139.03990	1.1
146.43820	0.8
152.99539	1.8
155.03476	5.5
173.04527	92.3
174.04826	2.2
177.01886	2.5
178.02676	11.6
179.03546	4.1
191.05565	3.3
239.72827	0.9
275.09103	2.7
306.07422	1.5
307.11877	1.0
332.34650	1.0
449.14481	40.5
450.14624	2.6
481.17010	31.3
482.17435	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
58.00592	0.3
59.01379	3.5
60.99301	4.1
61.98816	0.7
65.03960	0.5
67.01885	12.5
69.03444	3.4
69.32166	0.4
69.32564	2.1
71.01373	4.8
73.02930	0.2
78.95884	0.6
81.03445	2.1
83.05019	1.8
85.02945	0.9
87.00870	12.9
93.03450	83.0
94.03785	1.5
97.02908	0.3
97.06586	1.3
99.00859	1.4
99.04480	1.2
101.02460	0.5
108.02137	0.3
109.02930	1.1
111.00856	0.8
111.04510	12.4
112.04810	0.3
113.02446	1.2
115.03973	0.7
127.04010	0.5
129.01947	1.9
133.02960	1.5
134.03728	25.4
135.04546	4.0
137.02434	4.6
143.03510	0.5
152.99551	1.0
155.03503	5.3
173.04527	100.0
174.04871	1.9
177.01907	1.8
178.02681	5.9
179.03505	1.5
186.73674	0.3
191.05608	2.5
217.35262	0.3
231.10181	1.0
234.86395	0.3
275.09229	2.4
306.07617	0.6
307.11826	10.2
308.12131	0.6
443.85669	0.3
449.14502	7.2
450.14481	0.4
481.17090	40.6
482.17459	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00580	0.3
59.01373	3.5
60.99297	2.9
61.92216	0.2
61.98823	0.4
65.03957	0.4
67.01883	9.7
69.03453	2.6
71.01378	5.6
71.05029	0.2
72.99306	0.2
73.02936	0.7
78.95896	1.4
81.03457	2.0
83.01400	0.3
83.05025	1.9
85.02959	1.4
87.00870	9.4
89.02425	0.6
89.88126	0.2
93.03450	66.2
94.03786	1.4
95.01347	0.2
96.96944	0.2
97.02938	0.2
97.06584	1.3
99.00881	0.9
99.04512	1.0
101.02438	1.0
109.02940	1.4
111.00889	0.9
111.04512	10.0
112.04881	0.2
113.02462	1.6
114.38111	0.2
115.03988	0.5
124.65228	0.2
127.03982	0.3
128.04445	0.2
129.01932	1.4
131.03491	0.4
133.02917	1.2
134.03731	20.5
135.04553	2.0
137.02426	4.0
137.03471	0.2
139.03975	0.2
143.03474	0.6
149.04506	0.4
152.99565	2.5
155.03497	5.0
159.02919	0.2
161.04628	0.2
166.94110	0.2
173.04527	100.0
174.04877	2.2
177.01929	1.1
178.02713	3.9
179.03430	0.8
191.05586	2.8
196.46027	0.2
231.10141	0.9
275.09262	1.3
289.16449	0.7
306.07166	0.3
307.11826	7.0
308.12317	0.3
421.20746	3.1
449.14508	6.3
450.14996	0.4
481.17032	26.0
482.17416	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	480.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44826	1.2
57.19247	1.1
59.01371	24.3
61.98825	100.0
67.21014	1.2
69.32330	11.6
71.01377	3.6
78.83081	1.1
78.95891	4.2
85.02957	3.0
87.00890	1.3
93.03471	1.9
98.20621	3.0
152.99583	4.5
161.02319	1.7
166.76907	1.3
173.04547	3.7
177.09155	2.4
187.07655	3.3
189.05577	1.4
191.05692	6.4
202.06255	1.5
204.07928	2.5
211.13338	2.9
215.10710	2.9
224.98460	1.3
225.11266	1.3
261.82980	1.3
275.09271	1.3
276.16617	1.3
293.21252	1.4
294.21561	6.7
307.11761	1.2
312.22791	1.5
338.31165	1.2
445.30493	1.4
478.04224	1.3
480.25046	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
59.01373	2.7
61.47811	0.2
63.58952	0.3
67.01884	1.2
69.03448	0.5
69.74383	1.5
71.01377	1.6
73.02933	0.5
77.61264	0.3
81.03452	0.4
83.05025	0.5
85.02940	8.4
87.00859	2.2
93.03452	8.5
96.96049	0.2
99.00909	0.3
99.04495	0.4
101.02459	0.6
108.09730	0.2
109.02933	1.0
111.04501	2.0
113.02451	0.5
123.00861	0.3
124.01656	0.4
125.02430	1.5
127.04000	1.8
137.02429	0.9
149.99553	0.7
155.03481	0.7
158.03702	0.3
159.04500	0.4
167.03313	0.2
168.00642	1.4
171.02946	0.6
172.05283	0.7
173.04541	10.3
173.05928	0.4
174.04788	0.3
187.04018	1.7
187.07632	3.6
191.05598	100.0
192.05919	2.5
200.04756	0.3
201.05556	0.7
202.06351	3.0
203.07028	0.5
213.09167	0.9
215.07126	1.3
231.10248	2.3
245.09268	0.2
245.11751	0.6
247.09726	0.5
257.08124	1.3
259.62671	0.2
263.12827	0.8
275.09280	2.6
289.10760	1.8
307.11908	2.6
379.98331	0.2
439.21777	0.5
449.14499	4.4
450.14771	0.8
481.09842	2.2
481.17102	1.7
481.22543	1.0
482.10028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56728	0.3
58.16913	0.3
59.01376	16.6
61.98827	100.0
65.00342	0.3
68.19955	0.4
69.52587	2.0
71.01361	1.7
73.02946	0.8
75.00881	0.7
75.34055	0.3
78.95903	0.7
81.28374	0.4
83.01360	0.4
85.02962	1.2
85.29939	0.3
87.00921	0.4
87.50302	0.3
89.02470	0.8
93.03465	1.4
96.96025	0.6
101.02454	1.0
104.51588	0.4
113.02457	1.0
135.04538	0.5
137.02457	0.7
148.77296	0.3
152.99554	0.4
155.03516	0.3
161.04532	0.5
173.04544	2.6
174.92793	0.3
177.01917	0.3
179.03476	0.5
187.68286	0.3
191.05592	3.1
191.70398	0.3
195.86839	0.3
299.59338	0.4
331.17725	1.2
367.18063	0.3
373.18829	0.7
479.32242	0.4
479.63358	0.6
480.21997	0.4
480.31778	0.9
481.22583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96392	0.6
59.01377	7.7
61.98824	100.0
69.03431	0.8
69.59174	2.9
69.59592	1.7
71.01365	5.8
72.99316	1.1
73.02948	2.3
75.00844	3.5
83.01369	1.6
84.21218	0.6
85.02946	4.5
86.03268	0.7
87.00877	1.3
89.02464	1.0
93.03463	2.3
94.82301	0.7
99.00890	1.5
101.02431	3.7
113.02470	2.6
125.02489	1.0
127.04053	0.8
137.02434	0.7
151.00389	0.9
161.04572	0.9
169.55421	0.8
173.04509	5.2
187.07610	1.2
191.05583	19.5
192.05986	0.8
217.43939	0.7
227.03456	15.0
228.03990	0.7
255.02969	23.0
256.03503	3.4
284.03210	31.0
285.03848	6.9
289.10782	0.9
417.08209	49.1
418.08563	4.7
479.25107	5.9
479.32349	2.1
480.16385	1.5
480.25812	6.2
481.17172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03444	0.7
58.00581	0.6
59.01376	100.0
60.01708	0.5
61.98827	1.9
69.26166	0.8
69.26587	2.0
71.01378	16.6
72.99309	0.9
73.02942	8.5
78.95916	0.9
83.01386	2.6
85.02943	4.5
87.00872	0.7
87.04530	0.5
89.02438	9.5
95.01387	1.0
99.00890	0.7
101.02435	12.4
113.02441	8.8
119.03495	4.4
125.02502	0.4
131.03522	0.6
132.38364	0.3
137.09795	0.4
137.52469	0.3
143.03481	1.5
149.04561	1.2
152.99612	1.1
155.03471	0.3
161.04533	3.5
171.10349	0.4
179.05600	2.0
189.16438	0.3
201.11459	0.4
203.05574	0.3
207.10336	0.8
225.11298	0.6
253.09277	0.3
323.78696	0.4
419.24341	2.2
437.25342	2.7
479.21127	0.5
479.27130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	0.9
61.98829	0.9
69.42924	2.2
71.01389	1.2
78.95898	2.4
78.96220	0.2
85.02923	0.3
87.04507	8.1
89.02428	0.4
100.98340	0.3
107.63303	0.3
113.02574	0.3
135.04529	0.3
152.99573	3.6
171.10403	0.4
173.04573	0.4
177.09171	0.3
191.05585	0.6
201.11275	0.5
207.10286	1.1
225.11377	1.1
253.09229	0.4
461.19803	0.4
479.21371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10207	0.3
53.93733	0.3
59.01376	100.0
59.67242	0.3
60.01712	0.8
61.98821	1.6
71.01387	2.4
73.02945	0.6
75.86662	0.3
78.95902	1.1
79.36662	0.3
83.01416	0.6
85.02950	0.5
87.04504	4.3
89.02459	0.6
101.02452	1.3
113.02467	1.0
152.99603	0.9
161.50706	0.3
171.10190	0.4
186.53336	0.3
207.10260	0.5
225.11427	0.9
419.24582	0.4
437.24625	0.7
479.24792	0.7
497.58237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98838	0.8
71.63170	0.7
78.95898	74.0
80.96323	8.5
96.96970	5.0
98.97370	1.1
111.00883	4.7
134.25298	0.9
152.99580	63.0
153.99931	1.1
154.99997	2.7
171.00632	19.6
173.01067	2.5
174.01424	0.8
225.11732	0.9
227.03209	3.3
245.04277	100.0
246.04628	1.8
251.20137	68.2
252.20532	4.3
366.17477	0.9
478.28305	1.6
479.23941	39.3
479.29025	9.6
480.24411	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	479.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62665	0.6
57.03382	1.7
58.00533	0.8
59.01320	3.3
59.01615	1.0
61.98793	1.0
67.07267	0.5
69.03425	0.8
69.29147	4.3
69.29560	1.0
71.01381	4.1
71.85392	0.6
73.02904	0.8
78.95903	10.6
81.03426	0.7
83.04960	0.8
88.70583	0.5
96.95963	1.3
97.02868	0.6
97.06528	0.7
99.08144	2.6
101.02383	1.3
109.06499	2.1
110.98532	7.5
111.08128	0.7
113.09702	2.8
125.09648	0.7
129.09222	5.8
151.11292	1.0
152.99556	2.9
153.12692	0.7
155.10765	0.6
157.23755	0.6
162.83844	1.0
163.11214	2.1
167.01036	2.3
167.10823	0.6
169.12338	3.6
171.10265	2.8
181.12360	5.4
183.13751	2.4
185.02203	7.4
185.11775	0.9
191.05542	0.6
193.12202	1.9
197.10242	0.9
197.11838	11.9
199.13368	6.0
201.11230	1.7
207.10291	4.8
211.11433	1.0
211.13361	17.4
212.13611	0.8
215.12802	0.6
225.11285	5.2
227.12837	0.6
236.53903	0.5
253.09171	1.1
265.21646	0.6
275.20099	1.2
293.21210	11.3
294.21414	0.8
311.22250	100.0
312.22623	6.6
400.69067	0.7
443.15375	0.6
461.20090	0.8
479.24216	42.0
480.24728	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	479.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79689	0.7
52.01405	0.9
55.01890	1.0
57.03456	1.6
58.00595	0.9
59.01370	6.7
61.98829	2.0
62.68368	0.8
71.01376	6.9
71.63271	1.0
73.02950	1.7
78.95897	12.5
81.03497	0.9
83.05051	0.9
89.02421	0.9
89.38380	0.8
96.96034	3.0
99.08179	3.0
101.02427	1.5
109.06613	2.4
110.98525	7.4
113.02450	0.8
113.09748	3.6
118.42622	0.7
125.09762	1.0
129.09200	5.4
135.80424	0.9
139.11288	1.1
151.11298	1.3
152.99611	6.5
155.10713	0.9
163.11353	2.7
167.01192	2.6
167.10857	0.9
169.12375	3.2
171.10252	5.5
173.04462	0.9
181.12323	6.2
183.10280	0.8
183.13994	2.2
185.02190	7.4
185.11839	0.9
193.12393	1.7
197.11812	10.5
199.13367	7.2
201.11368	2.9
207.10239	6.3
211.13373	16.8
217.00383	1.5
225.11296	8.1
227.12967	1.4
243.12384	1.5
253.09331	2.8
275.20242	2.6
293.21213	12.9
310.97330	0.9
311.22253	100.0
312.22675	5.5
380.43283	0.8
461.20319	1.9
479.24292	46.3
480.24454	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	67.5
60.01707	0.6
60.99313	0.8
61.61406	0.5
61.98820	3.3
65.50503	0.5
67.45245	0.5
69.41439	0.5
70.15488	2.2
71.01373	1.7
78.95884	2.6
79.95747	0.6
81.28699	0.6
82.19284	0.5
85.02921	1.4
93.03442	2.3
95.69122	0.5
96.95971	0.7
98.19996	0.8
99.04505	0.6
101.02406	0.7
103.16702	0.6
104.45217	0.5
106.04255	1.6
107.05006	1.0
121.02938	1.4
122.80836	0.5
143.58752	0.5
147.08144	2.1
149.06065	54.2
150.06407	1.5
152.99554	1.8
173.04552	3.8
191.05568	5.8
207.13779	0.8
209.08165	100.0
210.08548	4.6
225.14934	64.7
226.15244	3.6
227.12868	0.8
269.13904	26.1
270.14255	1.2
275.09299	1.0
287.14935	3.7
387.42996	0.5
416.30273	0.6
461.20496	0.6
479.22546	13.9
480.23013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59581	1.7
57.03430	1.9
58.00578	3.0
59.01093	2.5
59.01373	32.4
61.98818	2.8
62.12978	1.9
68.69800	1.7
69.03438	2.0
69.52930	12.4
70.42667	1.6
71.00991	3.9
71.01375	79.9
72.99310	2.0
73.02945	9.9
78.95871	6.9
78.96297	1.9
81.03435	3.4
83.01395	2.6
83.05012	4.0
85.02948	11.1
87.00846	2.9
89.02456	11.2
91.03952	2.2
95.01334	1.8
95.05003	1.9
96.95998	2.8
97.02922	7.3
97.06573	2.2
99.00869	7.4
100.27182	1.6
101.02433	14.5
107.05058	1.9
107.37704	1.7
109.05878	2.4
109.06584	38.4
110.06926	2.0
111.04502	2.2
113.02451	9.1
119.03471	3.2
125.09689	7.1
127.11271	4.1
128.76431	1.7
134.99113	1.6
135.08130	3.8
139.11334	1.8
142.02675	3.1
149.09717	2.9
152.99577	4.6
154.37836	1.7
155.10722	4.9
161.04497	6.4
161.09718	2.8
163.11282	24.1
165.09209	2.9
171.10249	34.8
181.12334	22.8
183.10178	1.6
185.11842	9.7
197.11778	4.0
199.09705	3.3
199.13411	18.7
201.11305	36.0
207.10239	95.8
208.10478	4.4
215.12766	5.6
225.11292	100.0
226.11646	4.0
243.12354	17.7
249.76826	2.0
253.09258	29.9
295.10168	3.0
311.22104	4.4
433.60663	1.8
461.20239	15.2
462.20724	3.3
478.99811	2.0
479.21176	66.9
480.21432	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32298	0.5
51.67160	0.6
55.01861	0.8
57.03426	1.8
59.01373	13.9
61.98522	0.5
61.98825	9.6
63.73151	0.5
66.35960	0.5
69.03439	0.8
70.76972	1.6
71.01379	6.6
71.05006	2.4
73.02922	1.9
83.01387	1.3
85.02940	5.2
87.00864	0.9
88.98766	0.6
89.02441	4.5
93.03435	2.2
97.02931	2.8
97.06561	1.7
99.00867	14.2
101.02441	6.5
109.06548	2.0
110.03730	1.0
113.02430	3.3
113.66631	0.5
113.72951	0.5
119.03539	0.5
120.99641	2.8
121.06536	0.6
123.04498	0.7
123.08153	1.2
124.01591	0.7
125.09710	4.3
135.08131	0.9
142.02715	1.2
150.41869	0.5
161.04539	1.8
163.11282	8.2
165.01962	0.6
171.10242	7.1
173.04491	2.1
179.05704	0.6
179.10818	0.8
181.12311	16.9
182.12608	0.7
185.11642	0.6
191.05583	12.6
197.11781	1.1
199.13373	10.2
201.11243	0.9
207.10234	26.0
225.11284	43.1
226.11592	1.9
228.26546	0.5
229.08646	0.7
243.12321	24.9
244.12573	1.4
253.09277	4.9
261.11206	1.1
273.07541	3.1
299.05743	0.6
305.15625	0.5
317.06595	1.6
317.15897	1.5
347.17023	2.4
461.19870	2.9
479.21213	100.0
480.21606	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	479.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32298	0.5
51.67160	0.6
55.01861	0.8
57.03426	1.8
59.01373	13.9
61.98522	0.5
61.98825	9.6
63.73151	0.5
66.35960	0.5
69.03439	0.8
70.76972	1.6
71.01379	6.6
71.05006	2.4
73.02922	1.9
83.01387	1.3
85.02940	5.2
87.00864	0.9
88.98766	0.6
89.02441	4.5
93.03435	2.2
97.02931	2.8
97.06561	1.7
99.00867	14.2
101.02441	6.5
109.06548	2.0
110.03730	1.0
113.02430	3.3
113.66631	0.5
113.72951	0.5
119.03539	0.5
120.99641	2.8
121.06536	0.6
123.04498	0.7
123.08153	1.2
124.01591	0.7
125.09710	4.3
135.08131	0.9
142.02715	1.2
150.41869	0.5
161.04539	1.8
163.11282	8.2
165.01962	0.6
171.10242	7.1
173.04491	2.1
179.05704	0.6
179.10818	0.8
181.12311	16.9
182.12608	0.7
185.11642	0.6
191.05583	12.6
197.11781	1.1
199.13373	10.2
201.11243	0.9
207.10234	26.0
225.11284	43.1
226.11592	1.9
228.26546	0.5
229.08646	0.7
243.12321	24.9
244.12573	1.4
253.09277	4.9
261.11206	1.1
273.07541	3.1
299.05743	0.6
305.15625	0.5
317.06595	1.6
317.15897	1.5
347.17023	2.4
461.19870	2.9
479.21213	100.0
480.21606	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	479.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55063	2.4
59.01375	100.0
59.99614	2.6
60.24343	2.4
61.98827	13.7
66.70745	2.3
67.01888	2.6
67.05285	2.2
69.58342	10.9
69.58773	7.0
71.01378	36.0
72.99288	4.4
73.02946	27.9
75.00857	5.6
75.60362	2.4
78.24283	2.2
83.01380	4.8
85.02955	14.2
87.00863	5.4
89.02436	35.6
93.03445	4.5
99.00874	60.4
101.02434	18.5
113.02418	20.6
114.40672	2.5
119.03497	6.8
120.99709	2.4
125.02419	5.7
131.03477	7.1
143.03528	4.9
149.04533	21.9
161.04512	9.9
173.04500	9.1
189.15051	2.4
191.03920	4.3
191.05600	59.4
203.05540	11.4
259.06076	2.9
273.07468	2.5
287.09357	7.6
289.03662	3.8
393.17627	20.1
414.39685	2.6
435.18637	56.9
436.18787	5.9
479.10364	3.6
479.24908	7.4
479.32108	5.6
480.17563	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	479.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40596	1.7
59.01377	100.0
59.69108	1.7
61.98828	38.8
65.62388	1.6
68.03657	1.6
69.36813	1.8
69.80312	6.6
69.80734	3.4
71.00984	3.5
71.01377	52.4
73.02946	24.6
75.00863	4.0
78.95900	3.7
83.01376	5.5
85.02947	12.1
87.00870	3.3
89.02438	20.2
93.03452	4.4
96.19709	1.7
96.96043	2.3
97.02950	3.0
99.00876	49.5
101.02438	28.0
109.06579	6.0
113.02444	17.4
118.63819	2.0
119.03466	4.0
120.01316	2.2
125.02400	1.8
125.09695	3.6
129.01863	1.6
131.03493	6.8
134.06119	4.2
135.08215	1.9
143.03517	3.0
149.04575	17.3
152.99559	5.1
155.03481	1.8
161.04550	8.9
163.11266	5.7
171.10258	7.9
173.04517	8.4
178.05060	2.8
181.12401	3.7
185.11697	2.3
191.05597	30.1
197.12207	2.3
199.13298	3.5
201.11311	7.8
203.05568	4.7
207.10252	21.6
225.11311	20.4
227.03456	4.7
233.06578	2.7
242.67986	1.8
243.12302	3.6
252.70255	2.1
253.09207	6.6
255.02927	6.1
261.13351	7.7
284.03180	8.3
285.04190	2.4
290.61853	1.9
375.20447	3.0
393.17633	17.6
394.17865	2.9
417.08267	18.4
435.18155	40.3
435.23639	3.9
436.18839	4.7
461.19974	3.3
479.21085	11.4
479.27069	3.0
479.32745	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43328	0.9
56.43886	0.7
61.98824	100.0
69.59370	3.2
69.59798	2.7
78.62410	0.8
84.75266	0.8
87.37100	0.8
95.46957	0.7
96.34066	0.8
96.95985	2.7
102.48230	0.7
170.88338	0.9
221.80212	0.9
315.64505	0.9
398.62262	0.8
410.59897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98833	1.0
66.57751	0.7
70.45187	2.6
70.45530	0.7
71.00533	0.7
85.61196	0.8
89.85518	0.8
93.13724	0.7
118.16892	0.7
137.09717	8.3
139.41629	0.9
155.10768	100.0
156.11072	3.0
171.10248	14.2
181.08679	1.3
199.09734	48.0
200.10068	1.2
217.10782	75.1
218.11053	2.2
243.32997	0.7
277.21689	29.1
278.22067	2.0
316.84811	0.8
377.34781	0.8
435.40616	0.8
453.14792	0.8
455.21643	0.8
477.32178	32.9
478.32483	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76665	0.8
52.81998	0.7
59.01375	100.0
61.98834	4.4
71.01396	1.1
71.62872	1.6
78.95901	14.1
83.05050	1.2
85.02961	0.9
87.20087	0.8
90.86971	0.7
91.04003	4.2
96.96013	3.4
97.06599	0.8
99.08150	1.1
110.98539	5.6
111.08139	6.3
119.08673	1.2
123.35968	0.8
125.09731	1.4
137.09692	1.0
152.99594	3.5
153.12810	1.0
167.01106	1.8
169.12358	3.1
171.00642	2.5
171.10234	4.6
185.02177	4.7
185.11783	1.3
193.12328	3.0
197.11813	31.9
198.12221	1.2
199.13403	1.0
207.13721	0.9
211.13370	3.4
225.14876	4.4
227.12923	1.2
243.16039	1.6
263.20029	1.4
265.17798	1.1
273.18689	1.0
291.19714	6.8
309.20682	30.4
310.21097	2.0
343.24820	39.1
344.25037	2.1
405.37189	0.9
477.22562	28.2
478.22787	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	477.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86828	0.6
56.10983	0.6
59.01375	100.0
61.98823	2.1
65.84142	0.7
69.94469	1.4
69.94863	2.5
71.01369	1.1
78.95882	5.5
79.82510	0.6
85.02945	0.6
89.02444	0.8
91.04018	4.5
99.08162	1.2
101.02426	1.0
102.98584	0.8
110.98537	2.1
111.08108	3.2
114.83175	0.6
135.04514	0.8
152.99606	3.2
167.01205	1.4
169.12386	2.2
171.10277	3.3
173.04607	0.7
185.02263	2.8
191.05630	0.6
193.12369	2.3
197.11806	20.7
211.13411	2.4
225.14931	4.6
231.68922	0.6
243.16139	1.8
263.20233	0.7
289.70584	0.7
291.19669	4.6
292.19922	0.6
301.54532	0.6
309.20679	18.9
309.24045	1.0
310.21075	1.2
325.23740	0.7
340.87326	0.6
343.24832	43.5
344.25253	2.2
404.09756	0.8
477.22610	13.2
477.28812	1.3
478.22607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33364	1.2
59.01375	64.8
61.98831	6.6
66.73677	1.2
69.56728	9.3
71.01386	1.7
75.15913	1.1
78.95898	30.7
80.88506	1.2
85.02916	1.3
89.02438	1.4
91.03992	3.1
94.38590	1.3
96.96005	17.1
96.96961	1.8
110.05317	1.4
110.98521	12.9
111.08148	18.0
112.08441	1.3
127.07607	1.9
151.14455	1.2
152.99559	11.2
153.12816	1.5
167.01108	4.0
169.12285	9.2
171.00601	4.8
171.10280	2.6
181.12317	2.2
183.13823	1.6
185.02164	13.9
193.12311	1.6
197.11812	100.0
198.12202	2.9
199.13387	4.8
211.13359	10.0
225.14890	2.8
263.20148	5.2
265.18176	2.1
269.97458	1.4
273.18671	1.8
291.19620	17.9
309.20691	81.0
310.21048	4.5
343.24847	24.9
344.25330	1.5
417.15402	2.5
477.22519	67.6
478.22818	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	477.1972
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
55.72666	1.0
57.03442	1.4
59.01374	100.0
61.98805	4.7
69.27090	9.0
71.01375	15.2
73.02940	10.8
75.00855	1.7
77.71891	1.0
83.01373	3.8
85.02946	4.4
87.00868	1.8
89.02425	8.1
91.44918	0.9
93.03426	2.2
96.96004	1.4
98.19897	2.0
99.00868	1.4
101.02423	9.7
102.71978	1.0
105.07556	1.0
111.00863	1.3
113.02445	5.6
119.03474	4.0
125.02388	4.8
161.04510	1.0
173.04515	4.2
182.69788	1.0
191.05612	3.0
211.13306	1.5
253.04555	1.1
298.30270	1.1
302.54611	0.9
303.08606	1.0
314.04321	1.6
336.85669	1.1
373.18210	1.8
373.22269	4.2
391.19510	2.9
391.23804	1.6
414.29324	1.1
415.19659	4.6
417.24701	2.9
433.20718	81.0
434.21173	7.9
454.36813	1.1
477.23550	2.4
477.30734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01385	3.4
61.98817	3.8
67.45082	1.4
70.47856	2.9
70.48191	2.1
71.01366	3.2
78.95895	16.4
81.03437	4.8
83.01380	13.2
83.05024	4.7
84.83108	1.3
95.05023	2.7
97.02956	1.5
97.06571	2.9
108.02186	1.3
110.98522	18.8
111.08133	2.3
123.04499	2.1
123.08134	4.6
125.06091	2.3
125.09729	11.3
135.08151	1.7
135.62038	1.4
139.11288	9.4
151.11264	5.1
152.99634	1.7
162.52844	1.6
163.11266	11.0
165.12820	20.5
167.01109	6.5
167.10733	5.9
171.10252	1.6
179.10725	1.6
179.14333	1.6
181.12283	7.6
183.13858	2.6
185.02177	17.4
191.10776	6.6
193.15973	5.3
207.63498	1.5
209.11813	95.2
210.12094	4.2
211.13451	1.8
225.11263	1.5
226.23903	1.3
247.20625	11.9
265.21661	4.9
273.18634	4.8
281.21240	2.1
291.19641	90.9
291.97241	1.3
292.19943	7.0
309.20691	100.0
310.20987	5.5
477.22543	66.6
478.23038	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Rhodamine 6G
Peak:m/z	Relative Intensity
51.34619	0.7
57.03450	1.7
58.21725	0.7
59.01374	27.7
61.98832	5.9
68.99818	1.1
69.03449	1.1
70.94358	1.4
70.94673	1.0
71.01378	16.4
72.97498	1.3
72.99312	2.2
73.02943	5.1
75.00867	1.2
83.01391	2.3
83.05034	1.2
85.02940	5.3
87.00883	2.5
88.98804	0.9
89.02431	12.0
93.03447	2.5
95.01400	1.2
95.05022	0.9
96.96008	7.0
97.06603	1.3
99.00898	2.7
101.02441	14.1
111.00887	1.4
111.04538	3.1
113.02438	6.8
118.98034	1.6
119.03535	2.3
123.04488	0.8
123.08126	1.9
125.09724	0.9
128.03644	0.9
143.03505	0.9
151.11272	3.0
153.12845	1.3
161.04564	5.2
161.09650	2.1
162.19084	0.8
167.07111	1.3
169.12320	46.7
170.12733	1.7
171.10245	5.6
173.04538	5.4
177.01912	13.7
177.09097	0.8
178.02292	1.0
179.05608	0.9
179.10788	3.1
185.11800	1.1
191.05673	4.9
197.11813	65.3
198.12131	3.3
205.08713	3.0
213.11351	2.7
215.12810	1.9
223.09744	14.3
227.47044	0.9
235.08279	1.2
241.07208	4.8
241.10855	3.6
242.08049	5.5
243.08772	2.9
253.09254	12.7
267.10867	1.1
295.14258	0.8
377.14648	11.4
439.21967	1.2
441.10535	4.2
441.16360	0.8
459.18320	4.7
477.19788	100.0
478.20294	7.9
487.82608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03436	1.3
59.01377	18.1
61.98835	5.3
67.01884	0.6
69.03448	2.7
69.42957	4.1
71.01372	7.0
71.05019	1.9
72.97527	0.7
73.02943	4.2
74.02458	2.8
74.99076	0.7
75.00875	1.0
81.03481	0.8
82.95397	0.6
83.01388	1.7
83.05044	0.7
85.02955	2.6
87.00880	1.4
89.02439	4.5
93.03460	0.9
95.01373	1.3
96.95993	2.8
97.02913	0.7
97.06555	0.8
98.20593	0.8
99.00869	0.7
101.02438	7.0
103.37380	0.6
111.04520	0.6
113.02431	3.2
118.98090	2.0
119.03502	1.1
123.08139	1.2
125.09711	1.7
125.56270	0.5
137.02399	0.7
141.09109	0.7
143.03470	0.5
151.11307	1.6
153.09229	0.9
153.12865	2.1
161.02440	0.9
161.04558	1.9
161.09697	2.4
173.04489	1.7
179.10748	5.9
191.05597	4.4
195.10204	0.6
197.11813	90.2
198.12085	3.4
211.13390	1.0
213.11235	0.5
223.09746	2.4
226.73387	0.5
229.14417	0.6
241.10785	8.9
253.09291	2.6
285.07681	0.5
299.02017	0.7
303.21674	1.3
391.19745	0.9
394.50540	0.5
417.24713	0.9
423.79593	0.5
433.20767	11.4
434.21075	1.0
459.18387	1.1
468.04373	0.6
477.19678	100.0
478.20020	7.4
478.26517	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	476.2777
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
63.83728	0.2
71.40200	0.4
78.95899	100.0
80.04134	0.3
96.96954	7.9
117.87000	0.3
140.01192	0.6
150.98001	0.3
152.99580	17.7
171.00629	20.3
214.04839	0.3
216.30078	0.2
237.96590	0.3
252.22221	0.3
283.06967	0.3
353.49756	0.3
402.24161	1.7
476.27780	62.4
477.28180	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	477.1972
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
53.53176	0.6
55.01859	1.3
57.03437	1.5
58.00594	0.8
59.01376	36.7
59.02386	0.7
61.98822	2.4
69.03441	2.7
70.27299	2.9
71.01381	16.0
71.05006	2.3
72.70957	0.6
72.99302	1.3
73.02583	0.9
73.02947	10.5
75.00878	0.7
82.40966	0.8
83.01375	3.9
83.05029	1.0
85.02942	4.3
87.00867	1.8
87.35168	0.7
89.02441	9.1
89.35782	0.7
95.01380	1.3
96.96017	0.8
97.02971	1.2
99.00897	3.3
101.02431	15.7
113.02435	8.0
115.03979	2.1
118.98048	1.7
119.03481	3.2
123.08179	0.9
125.09715	2.5
127.89491	0.6
151.11229	1.7
153.12851	1.6
161.04491	2.2
161.09685	3.1
162.68979	0.6
171.10153	0.8
173.04555	1.3
177.29930	0.8
179.10730	6.6
191.05586	2.4
193.12358	0.7
197.11809	74.0
198.12114	3.2
211.13383	5.3
223.09692	2.5
229.14331	1.3
241.10764	5.1
253.09236	3.6
285.07507	0.9
304.01288	0.7
373.18558	1.9
391.19687	6.6
433.20740	45.9
434.21011	3.0
477.19650	100.0
478.19983	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	476.2775
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
58.58318	0.3
59.01360	0.4
66.79940	0.3
70.47507	0.6
70.47891	0.7
78.95464	0.6
78.95898	9.5
107.05325	0.3
118.22052	0.3
118.74033	0.3
140.01180	1.9
152.99559	1.2
153.89287	0.3
171.00618	1.3
196.03763	1.4
214.04808	3.2
253.17162	0.3
279.23242	100.0
280.23608	8.0
430.51593	0.4
476.27768	15.3
477.28003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10990	0.5
58.43438	0.4
59.01377	100.0
60.01749	0.5
61.98822	2.4
69.00702	0.5
69.02013	0.5
69.30475	0.5
71.01385	1.2
71.20107	0.5
71.20461	1.1
78.95922	0.6
84.02169	1.2
87.00929	0.5
89.02467	1.0
91.04000	5.4
96.96021	1.3
97.06604	1.6
101.02442	1.2
113.02435	0.5
113.05745	0.5
135.04507	0.6
169.29512	0.6
171.10294	3.0
172.42032	0.5
191.05664	0.8
193.12373	1.4
209.11824	0.7
211.13437	1.0
211.48663	0.5
225.15002	2.7
243.16161	1.4
341.23288	41.0
342.23688	3.2
390.17792	0.5
475.29373	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	475.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54996	9.3
51.64433	9.5
59.01357	69.3
61.98817	11.8
62.71925	10.4
66.40781	10.6
78.95889	34.6
83.71188	10.9
89.13367	9.1
97.76936	9.4
196.57802	10.2
229.20444	11.2
276.19370	12.1
277.21677	15.8
279.23273	100.0
281.57474	13.9
381.82343	10.6
437.49719	10.7
475.24396	32.4
476.27106	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	475.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78659	0.6
57.58109	0.6
59.01375	100.0
61.98829	2.0
71.01380	1.8
82.98583	0.5
84.02169	0.9
85.02946	0.6
89.02438	1.0
91.03992	5.9
93.03478	1.3
95.69930	0.6
96.96015	1.7
97.06590	2.0
171.10281	2.0
173.04544	1.8
191.05664	1.6
193.12413	1.5
209.11952	1.6
211.13327	0.7
225.03941	0.6
225.15002	3.0
227.68777	0.6
237.97011	0.6
243.16109	1.7
341.23285	38.6
342.23730	1.9
460.38974	0.6
472.68903	0.7
475.28909	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	475.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37952	0.6
53.56621	0.5
57.03437	0.8
59.01375	100.0
60.63578	0.5
61.98818	1.1
71.01375	13.7
71.32556	1.1
72.99304	1.0
73.02945	2.3
73.12885	0.5
78.95901	1.8
80.96529	0.6
83.01410	1.1
85.02956	4.4
87.00870	1.6
89.02440	7.5
93.03461	1.1
95.01396	1.0
96.96004	14.9
96.96988	1.4
99.00861	0.9
101.02438	9.4
113.02441	6.0
113.09735	1.0
114.05702	0.5
119.03507	3.0
121.02991	1.0
123.03305	0.6
131.03484	0.6
135.04530	2.9
135.07466	0.5
143.03528	1.0
146.03769	0.9
151.03995	0.7
152.99577	3.9
159.03021	1.5
159.10269	4.9
161.04524	9.4
164.04796	0.5
173.04576	2.5
179.03468	1.7
179.05653	2.9
179.07202	2.0
180.03844	0.6
181.05148	1.0
191.05663	3.1
198.89317	0.6
210.38295	0.6
241.01291	1.4
242.10388	0.7
253.04837	0.9
301.12961	0.7
305.04172	1.2
415.23343	27.3
416.23889	1.8
459.22565	1.0
475.15329	8.1
475.25381	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	475.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.0
59.01372	13.8
61.98823	2.6
69.03465	1.7
69.30683	17.2
71.01366	2.8
77.26438	2.0
78.95901	24.4
80.02657	2.7
81.03437	5.2
83.01394	9.9
83.05014	3.6
95.05019	4.2
96.96004	2.0
97.02911	5.8
97.06580	12.5
103.82757	1.6
108.02219	2.2
110.98533	19.7
121.06552	3.2
123.04518	8.3
123.08159	7.1
125.09727	19.9
127.90435	1.9
135.08133	3.2
136.05338	1.9
137.06061	2.1
137.09698	7.5
141.12894	3.3
149.09641	1.7
149.75134	1.5
151.11203	2.7
161.09756	2.2
162.10384	2.3
163.07626	2.1
163.11281	20.1
165.12814	4.4
167.01176	6.3
167.10736	3.2
168.09251	1.6
171.10252	2.0
179.10750	2.0
181.12318	6.8
185.02174	22.7
185.11821	15.2
185.52693	1.7
191.10753	5.4
191.14398	20.8
207.10257	11.2
209.11801	80.4
210.12062	3.3
211.13251	2.3
225.11311	8.1
245.19096	35.0
246.19556	2.7
263.20114	3.6
271.17059	3.5
289.18063	100.0
290.18369	7.2
306.36301	1.9
307.19141	74.6
308.19388	6.9
475.20959	75.9
476.21335	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	475.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.4
59.01378	20.1
59.77431	2.3
61.98813	9.5
78.95892	20.1
81.03438	2.4
83.01378	5.6
83.05016	6.1
95.05011	4.1
96.96001	3.3
97.02922	4.9
97.06564	8.1
109.06596	3.9
110.98526	16.9
113.06084	5.9
121.06551	3.1
123.04475	5.7
123.08136	3.8
125.06151	2.8
125.09723	12.7
135.08168	4.1
137.09749	6.0
152.99568	3.2
154.09460	2.8
163.11269	11.7
181.12270	5.0
185.02159	15.8
185.11765	7.4
191.05603	2.7
191.10632	3.4
191.14389	13.0
207.10223	7.8
209.11821	100.0
210.12048	3.0
211.13419	4.0
225.11293	7.0
245.02682	2.7
245.19048	22.2
284.96146	2.5
289.18066	79.6
290.18359	4.5
307.19125	54.3
308.19394	3.2
401.22882	4.0
412.18460	4.0
475.21063	56.9
475.27118	7.0
475.32431	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	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80274	0.5
59.01083	0.9
59.01377	12.0
60.99302	14.6
69.39019	0.9
69.39426	3.9
71.01373	4.0
72.99271	0.6
73.02936	1.9
80.35058	0.5
81.03446	0.6
84.51382	0.6
85.02951	1.2
87.00870	2.8
88.00389	1.6
88.01212	0.6
88.04019	0.5
88.98799	100.0
89.02436	17.9
89.99075	0.7
91.38799	0.5
93.03455	1.4
96.35574	0.5
96.95992	1.2
101.02436	2.0
113.02439	1.7
119.03507	0.7
161.04556	1.1
173.04515	2.3
191.05600	2.1
275.07639	0.8
336.62946	0.5
415.15973	1.1
415.23315	1.8
431.19186	1.2
470.91876	0.7
475.18283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.1
61.98843	0.5
69.16481	0.4
71.01368	3.3
71.62525	0.6
75.00848	0.5
80.36555	0.4
85.02944	1.4
87.00873	2.9
88.00413	0.4
89.02441	1.6
93.03440	1.2
94.74653	0.4
96.96009	4.7
99.00864	0.6
101.02431	1.9
102.59915	0.4
109.02914	0.7
113.02454	1.4
115.04054	0.5
119.03471	0.6
119.05074	0.5
121.02991	0.7
124.52081	0.4
135.04515	1.7
137.06059	1.6
145.02968	0.8
146.03725	34.7
147.04185	1.3
161.04565	1.8
161.06046	12.2
163.03947	0.7
164.04784	22.5
165.05147	0.9
173.04475	1.1
179.07118	100.0
180.07454	3.8
181.05042	6.1
191.05528	1.9
246.77144	0.4
253.14572	0.4
323.10565	0.4
343.10303	0.6
415.16040	1.4
475.14267	3.9
475.20718	0.5
502.54498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
69.62151	0.9
71.01378	14.4
72.99308	2.9
79.62743	0.9
88.04015	1.1
89.02447	3.7
97.30860	1.1
115.00366	40.0
132.03044	3.3
132.88654	1.1
132.94661	3.2
133.01424	100.0
133.05058	11.1
134.01808	1.9
135.04518	2.7
145.15712	1.0
165.37750	1.0
192.88788	1.0
283.14038	1.3
324.29132	1.0
341.10901	1.5
371.02875	1.4
415.14511	4.1
488.07233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83871	1.5
57.64349	1.3
57.72611	1.4
59.01379	2.0
69.44362	7.5
69.44785	4.3
71.01376	15.4
72.99279	4.4
89.02424	3.7
108.28857	1.7
115.00362	37.5
115.43977	1.5
132.02940	2.1
132.94627	5.9
133.01419	100.0
134.01797	1.9
153.48529	1.7
168.14888	1.5
341.10791	5.8
363.22266	1.6
377.08319	4.6
452.74005	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	475.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90345	0.6
59.01377	3.6
65.01014	0.5
69.36205	2.5
69.36634	2.1
71.01375	16.0
72.99316	0.9
78.53596	0.6
78.95901	2.0
87.00868	10.2
87.04507	1.3
89.02441	5.0
96.95997	2.0
96.96957	0.5
101.02441	2.2
102.40674	0.5
106.65657	0.6
108.93752	3.8
109.03047	0.6
115.00365	8.1
119.03413	0.6
124.19183	0.6
125.12180	0.4
132.03024	1.5
132.94646	3.0
133.01434	21.1
133.05060	100.0
134.05406	2.5
135.04517	1.4
136.93208	0.5
158.31146	0.6
161.04568	0.5
164.05032	0.5
178.95995	1.1
179.05627	0.6
183.04739	0.7
191.05627	1.2
192.95782	1.4
199.67204	0.6
234.96933	1.2
341.10840	2.3
377.08536	1.9
415.03571	0.9
415.14481	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	474.262
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96395	0.4
65.97057	0.2
69.91425	0.3
70.20348	0.5
70.20769	0.8
78.95897	100.0
96.96954	7.3
98.20654	0.2
124.41225	0.2
125.50762	0.3
140.01169	1.2
150.97960	0.4
152.99580	15.5
171.00636	17.0
172.01178	0.3
182.94479	0.3
186.01245	0.3
196.03806	2.0
214.04852	1.0
277.21683	15.8
278.21954	1.2
360.55396	0.3
400.22339	1.4
474.26199	64.5
475.26572	6.0
475.32782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1241
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
54.14725	0.1
55.81237	0.1
57.03453	0.1
58.15821	0.1
59.01088	0.3
59.01374	5.3
61.98820	0.4
63.01498	0.1
63.02391	2.3
65.00319	6.1
67.15340	0.1
67.36880	0.1
69.38954	1.0
71.01381	1.1
73.02937	0.6
79.01892	0.2
83.01379	4.4
85.02953	0.5
87.00884	0.3
89.02412	0.7
93.03452	8.4
94.03831	0.2
97.02953	0.2
98.20640	0.3
101.02423	1.2
102.55572	0.2
105.33229	0.2
107.01382	12.5
108.02180	0.4
108.66884	0.1
108.99355	0.1
109.02964	0.2
110.57311	0.1
113.02467	0.5
117.03446	0.3
119.05017	35.2
120.05359	1.2
121.02943	0.5
125.02441	1.0
131.01413	0.3
133.02908	0.2
135.00847	0.2
136.01654	0.5
137.02448	0.4
140.04272	0.1
145.02946	0.7
149.02475	0.3
151.00359	40.6
152.00702	0.9
153.19620	0.1
161.04549	0.5
161.06017	0.3
164.01147	0.7
164.57333	0.1
165.01915	2.2
167.08014	0.1
169.01453	1.1
173.04556	0.7
173.74681	0.1
175.00380	1.0
177.01915	5.9
179.03618	0.2
180.64438	0.2
185.06071	0.4
187.03983	0.4
191.05621	0.7
193.01363	0.8
196.00206	0.2
209.11830	0.3
221.11763	0.4
227.07095	0.7
253.05035	0.4
262.44141	0.1
271.06088	100.0
272.06433	6.4
295.06073	0.5
313.07150	1.9
314.07547	0.2
375.57526	0.2
415.09988	0.2
415.23297	1.0
475.11987	0.3
475.14835	0.2
475.21661	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.8
62.53979	0.3
68.99333	0.3
70.59158	0.9
71.01382	0.3
74.17292	0.2
78.95897	14.6
90.09571	0.2
96.96933	0.6
122.00077	0.3
127.07728	0.3
140.01186	2.2
142.40746	0.3
149.14986	0.2
150.23862	0.3
152.99559	2.1
171.00629	0.9
196.03802	1.4
204.46823	0.3
214.04874	3.3
233.22766	0.4
277.21686	100.0
278.22031	7.2
296.97910	0.3
334.25095	0.3
429.95731	0.3
446.34183	0.3
474.26227	16.7
475.26538	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	474.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87478	0.3
59.01373	17.2
59.97911	0.3
60.01701	0.5
60.99297	0.3
61.98818	1.2
63.51360	0.3
71.01377	4.1
71.63009	0.6
73.02939	3.6
83.01392	0.9
85.02953	1.7
87.00865	0.8
88.30405	0.3
88.98794	1.2
89.02444	1.8
93.03430	0.9
96.95992	1.1
99.00834	0.4
101.02434	2.7
113.02425	2.1
119.03500	0.5
119.04943	0.5
120.37962	0.3
124.01669	0.4
133.02878	0.3
133.05319	1.2
134.03760	2.1
135.04512	12.7
138.01924	1.7
147.04517	2.0
148.05290	40.2
149.05997	2.0
150.03162	0.5
160.04037	0.3
161.02426	0.7
161.04491	1.9
173.04504	0.9
175.03993	0.6
176.03526	3.6
177.01947	0.5
177.04272	1.6
178.05075	25.9
179.05452	1.0
181.05003	0.6
190.05070	9.2
191.05602	2.2
253.08688	0.9
271.02390	0.6
297.10016	11.2
298.10577	1.1
299.01797	0.4
304.06833	0.4
312.12369	100.0
313.12714	7.6
313.16183	0.7
394.08969	1.2
415.23230	1.5
431.19125	0.8
474.17508	3.1
474.23563	0.6
475.22198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3266
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
59.01373	11.7
61.98815	1.5
64.54256	0.5
64.71407	0.5
70.78548	0.5
70.83910	1.2
78.95895	0.9
80.15006	0.4
80.79841	0.5
85.02953	0.5
135.72136	0.5
150.12169	0.5
153.87094	0.6
160.84146	0.6
162.83844	2.4
164.83635	0.7
214.04851	0.9
217.22786	0.6
219.21027	0.5
237.46327	0.5
287.70889	0.5
292.44080	0.6
331.18799	0.7
348.42453	0.6
407.29041	0.7
438.08255	0.9
473.32669	100.0
474.32993	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	473.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63217	2.9
58.00597	3.2
59.01376	84.3
61.98816	6.2
67.37254	3.2
69.75130	15.9
69.75553	4.8
71.01382	81.0
72.99317	4.3
78.95890	48.9
79.74827	2.8
83.01386	6.2
85.02961	9.0
87.00849	5.4
89.01904	6.0
89.02439	100.0
89.02993	6.1
95.01402	3.4
96.96969	5.4
97.02931	3.2
98.19845	3.3
101.02443	24.3
113.02448	16.8
119.03491	12.2
121.10211	12.8
131.03508	4.7
138.11578	3.6
143.03514	7.3
149.04555	4.1
152.99554	10.6
159.85860	3.2
161.04527	13.4
171.00592	7.1
171.10274	25.6
179.05565	30.7
275.20120	42.3
277.21777	6.6
293.21191	48.8
294.21399	3.5
359.52942	3.4
376.25232	3.5
391.17929	6.5
474.26251	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73000	0.4
53.53626	0.4
54.18994	0.4
56.77409	0.4
57.03438	0.6
59.01376	100.0
60.01706	1.1
61.98833	1.6
66.47999	0.4
70.37769	1.0
70.38128	0.9
71.01378	5.3
73.02942	5.1
73.62551	0.4
75.47601	0.4
81.61796	0.4
83.01392	1.7
83.05054	0.5
85.02961	1.6
87.00909	0.5
89.02454	2.0
93.03450	2.4
96.96019	1.3
101.02445	6.9
105.08909	0.4
113.02451	2.4
119.03511	1.0
125.02423	0.5
135.04492	0.5
137.02454	0.6
143.03493	0.8
149.04572	1.8
155.03458	0.9
161.04562	3.5
173.04514	5.3
191.05574	3.5
203.05664	0.7
221.06702	1.3
237.14919	2.5
353.19760	0.6
363.36078	0.5
367.81616	0.5
413.21869	2.1
473.23859	1.5
474.27399	0.7
495.01456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99109	0.5
57.03434	0.8
59.01375	100.0
60.01711	1.0
61.98817	2.8
62.26268	0.4
69.29977	2.1
69.30405	2.0
71.01383	2.6
71.04984	0.5
73.02956	1.8
78.95897	0.5
79.95734	0.9
81.80870	0.4
83.05022	3.2
85.02952	1.6
87.00887	1.4
89.02460	1.1
93.03448	3.8
96.96005	17.7
96.96968	0.7
98.19915	1.1
101.02466	1.1
111.04533	1.8
111.08143	0.7
113.02482	0.9
113.09732	1.1
113.82662	0.5
115.07653	1.1
127.04028	0.6
135.04372	0.5
137.72716	0.5
139.07703	1.3
141.09273	0.6
151.11269	3.6
155.03529	2.1
157.08673	6.1
161.04477	0.6
173.04538	10.4
174.04956	0.9
177.09209	0.9
179.03601	0.5
179.10818	0.5
181.12302	0.6
183.10339	1.8
191.05589	4.7
195.10205	2.9
196.34488	0.4
206.94667	0.4
219.17546	2.7
237.18654	0.5
242.47340	0.5
263.16595	0.8
281.17563	11.8
282.17850	0.9
299.18604	16.4
300.18875	1.1
325.20151	0.6
371.20340	0.8
375.20425	0.5
413.21655	1.2
473.23694	9.1
474.24295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68983	0.4
50.73344	0.3
59.01377	100.0
60.01721	0.9
70.90482	0.7
71.01389	1.3
73.02953	1.6
89.02461	0.4
91.49220	0.3
101.02446	1.4
113.02491	0.6
116.02497	0.4
123.21439	0.3
142.37311	0.4
161.04544	0.9
162.94997	0.3
173.04512	0.7
413.21838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83300	0.3
53.71605	0.3
57.03431	0.4
59.01376	100.0
60.01707	0.9
60.58927	0.3
61.12046	0.3
61.98806	0.5
63.30438	0.3
71.01389	2.6
71.50194	0.3
71.63064	0.3
73.02946	1.0
73.49677	0.3
78.03043	0.3
78.80840	0.3
83.01350	0.5
85.02946	1.6
87.00894	0.4
89.01964	0.3
89.02458	1.3
93.03471	0.6
96.96019	0.7
99.00857	0.5
101.02432	2.5
113.02424	1.5
135.04515	0.5
135.11809	0.5
161.04555	0.7
161.09743	1.1
173.04533	2.1
179.10730	1.5
187.11273	0.8
191.05614	2.6
205.12280	0.5
208.67877	0.4
223.08369	0.3
225.11227	0.4
233.01927	0.4
233.15474	0.6
267.10971	1.4
269.14111	0.4
366.57861	0.3
376.23535	0.4
413.21768	0.6
431.22464	0.5
473.20462	2.4
473.24930	1.3
474.23288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01375	100.0
60.01708	0.8
61.98825	1.0
67.01882	0.8
69.30367	2.7
70.85580	0.3
71.01367	2.0
73.02956	1.1
77.05618	0.2
77.71336	0.3
80.79366	0.2
83.01388	0.5
83.05042	0.7
85.02961	1.2
85.35958	0.3
87.00895	0.5
89.02451	0.6
93.03448	4.2
96.96032	0.8
101.02420	1.4
109.02947	0.3
111.04495	0.8
113.02472	1.1
113.09763	0.3
116.92861	0.3
121.02982	0.4
137.02405	0.5
137.09773	0.3
139.07658	0.3
151.11339	0.4
155.03513	0.9
157.08745	0.6
159.37274	0.3
161.04604	0.5
173.04543	15.2
174.04922	0.7
183.22131	0.3
191.05600	1.9
209.15515	0.6
219.17558	0.4
264.40744	0.3
281.17560	1.4
299.18674	2.8
371.20844	0.6
413.21667	1.9
473.23074	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	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02945	0.9
53.79688	0.9
55.01875	1.8
57.03439	5.2
59.01376	38.8
68.37995	1.0
69.50397	7.0
71.00371	1.0
71.01379	11.0
72.18171	1.1
73.02937	6.3
78.92792	0.9
83.01383	2.6
83.05009	2.6
85.02939	9.1
87.00872	6.8
89.02429	2.0
97.06593	5.2
99.00857	2.3
101.02429	13.6
107.05021	8.9
113.02454	3.4
120.05795	3.8
122.18580	1.1
124.08047	0.9
135.04485	3.2
135.11765	1.0
143.03563	1.0
146.07271	1.4
152.04758	1.3
159.02959	1.4
159.08189	1.2
161.04576	7.5
161.09705	17.2
161.13342	12.9
163.11269	3.0
165.69225	0.9
173.04515	1.1
179.10825	4.6
181.12297	6.4
187.11287	22.6
189.09193	15.9
203.10762	1.2
205.12331	16.0
207.10222	4.9
216.92685	1.0
219.85558	1.0
223.08192	13.2
225.11382	5.0
231.10263	1.5
249.11267	12.3
267.12637	1.8
329.12320	1.7
357.28189	0.9
359.92972	0.9
399.75061	1.0
413.21494	1.0
455.19019	2.0
473.20230	100.0
474.20697	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	473.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01707	0.7
61.98832	3.9
64.11616	0.5
67.56972	0.4
71.63277	0.5
80.32042	0.4
80.89629	0.5
111.12508	0.5
137.85483	0.4
141.11621	0.5
218.94809	0.6
223.92926	0.5
430.00565	0.6
473.32953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88256	0.9
55.01880	1.3
57.03417	3.6
59.01376	100.0
61.98811	1.3
62.38134	0.8
70.63613	1.7
70.63918	1.1
71.01378	10.7
73.02950	4.6
83.01369	1.7
83.05009	1.9
85.02954	5.2
87.00861	6.0
89.02451	2.4
97.06556	2.4
99.00850	1.1
101.02428	11.1
107.05007	5.1
113.02480	5.5
116.04533	1.0
120.05798	1.4
135.04491	1.9
141.05536	1.3
152.26933	0.9
161.04543	5.7
161.09727	10.4
161.13344	7.6
162.13765	1.2
173.04521	3.3
179.10730	2.8
187.11275	16.0
188.11633	1.1
189.09198	10.8
191.05594	2.8
205.12318	9.3
207.10219	3.9
223.08243	9.7
249.11319	5.6
324.15900	1.0
329.12433	1.2
413.21683	1.8
431.22574	1.6
455.19504	1.2
473.20157	55.6
474.20743	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03451	4.0
59.01376	72.0
60.01726	0.6
61.98832	1.0
69.03430	0.6
69.58179	4.1
71.01381	14.5
71.05000	0.9
73.02938	6.2
78.32229	0.5
80.99762	0.6
83.01372	2.2
83.05019	2.6
85.02937	8.7
87.00875	9.1
89.02435	2.9
93.03449	1.4
93.20257	0.7
95.01395	0.8
97.02947	0.8
97.06545	3.8
99.00861	2.0
101.02436	15.7
101.26629	0.6
104.22166	0.7
107.04361	1.0
107.05029	10.4
113.02435	7.6
113.06142	0.6
115.55677	0.8
118.65432	0.7
119.03482	0.8
120.05801	5.0
133.10167	1.0
135.04507	3.9
135.11771	1.6
141.05545	1.3
143.03481	0.6
152.04759	1.2
157.06575	1.0
159.02966	1.5
159.08093	1.1
159.11813	1.0
160.25336	0.6
161.04533	6.9
161.09715	18.4
161.13336	10.6
163.11258	1.7
171.08128	1.0
173.04518	1.9
179.10770	3.3
187.11261	26.9
188.11511	1.7
189.09198	15.8
190.09534	0.8
191.05568	2.9
203.10704	2.0
205.12315	14.0
206.12704	1.2
207.10251	4.9
223.08199	14.0
231.10226	1.2
249.11287	8.9
267.12195	3.0
267.62939	0.7
329.12271	2.1
413.21848	1.7
455.19214	2.3
473.20197	100.0
474.20566	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	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03442	1.4
58.00573	1.0
59.01376	100.0
61.98816	1.6
69.03429	1.3
69.80991	2.4
69.81405	2.3
71.01384	22.1
72.99329	1.8
73.02944	21.3
83.01382	6.2
85.02957	5.4
87.00880	2.9
89.02454	8.4
93.03452	3.1
95.01391	1.8
96.96007	2.3
99.00874	2.0
101.02441	23.8
102.14356	0.9
109.01670	1.3
111.04493	1.3
113.02438	12.8
119.03495	3.0
125.02390	0.8
131.03491	2.5
133.05316	0.8
134.03772	2.5
135.04520	7.8
135.98326	2.5
137.02414	1.9
138.01979	2.7
143.03481	2.3
147.04454	1.4
148.05293	26.4
149.02548	1.0
149.04546	3.7
149.06036	0.9
155.03481	1.2
161.04510	7.2
165.10320	1.8
166.08723	0.9
173.04562	7.8
176.03497	1.7
178.05080	16.4
179.05574	2.2
190.05034	6.4
191.05623	8.1
208.10803	1.2
209.09274	1.3
209.11809	1.9
209.61490	0.9
210.07719	1.1
221.06648	1.4
226.11906	2.7
244.12907	1.8
297.09967	7.3
299.18616	1.9
312.12393	75.4
413.21780	6.0
431.22974	1.7
455.21759	2.4
473.16254	1.3
473.23553	2.7
474.17871	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	473.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38861	1.2
59.01376	90.1
59.47871	1.0
61.09512	1.0
61.91853	1.0
61.98813	1.7
69.43078	1.0
71.01376	17.2
71.39356	2.2
73.02937	8.9
79.95708	1.4
80.96502	5.5
82.96097	6.2
83.01399	1.5
85.02946	5.8
87.00845	2.0
89.02441	7.6
93.03465	1.7
94.98058	1.8
95.01392	1.2
99.00854	1.9
99.27316	1.3
101.02432	11.6
113.02441	6.1
119.03489	2.0
128.45067	1.1
132.02155	12.4
133.44717	1.1
134.03734	27.0
135.06619	2.1
137.09743	1.2
143.03520	1.8
149.06055	4.0
160.01648	70.5
161.02072	1.5
161.04547	1.9
171.10251	1.4
173.04500	3.3
175.03984	72.0
176.04454	2.1
178.02728	1.4
179.03447	1.7
179.05681	1.2
189.12839	4.4
191.05553	3.8
191.07158	2.3
193.05023	33.8
199.42281	1.1
203.05600	2.4
207.06439	1.9
207.13860	2.3
217.85298	1.2
225.14960	2.6
227.00417	1.4
235.06158	7.6
260.26114	1.4
265.07123	1.6
413.21896	1.8
429.17749	2.6
473.16382	100.0
474.16867	6.6
477.34390	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	473.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42261	1.1
57.03428	1.2
59.01376	69.0
61.98809	2.2
68.45953	1.1
70.27382	3.4
71.01380	15.0
73.02950	8.8
80.96514	4.6
81.95274	1.2
82.96104	5.8
83.01388	1.5
85.02948	4.4
89.02435	5.5
93.03429	1.9
95.01368	1.6
96.97670	1.6
97.02927	2.0
101.02433	10.4
109.95686	1.0
113.02448	7.4
114.89714	1.2
117.03464	1.6
119.03506	2.6
132.02164	16.4
133.02977	1.5
134.03732	28.4
135.06627	2.4
137.02440	2.0
143.03601	1.2
149.06070	2.9
160.01646	59.4
161.02040	1.7
161.04587	4.0
166.98141	1.2
173.04530	1.6
175.03986	78.8
176.04437	3.1
179.03363	1.3
189.12842	2.9
191.05556	2.6
191.07164	3.1
193.03299	2.1
193.05038	40.2
203.05556	2.5
207.14011	2.1
225.00781	1.2
225.14902	2.5
235.06125	8.5
295.08383	2.1
349.18970	1.3
429.17563	2.6
473.16428	100.0
474.16855	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	473.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38861	1.2
59.01376	90.1
59.47871	1.0
61.09512	1.0
61.91853	1.0
61.98813	1.7
69.43078	1.0
71.01376	17.2
71.39356	2.2
73.02937	8.9
79.95708	1.4
80.96502	5.5
82.96097	6.2
83.01399	1.5
85.02946	5.8
87.00845	2.0
89.02441	7.6
93.03465	1.7
94.98058	1.8
95.01392	1.2
99.00854	1.9
99.27316	1.3
101.02432	11.6
113.02441	6.1
119.03489	2.0
128.45067	1.1
132.02155	12.4
133.44717	1.1
134.03734	27.0
135.06619	2.1
137.09743	1.2
143.03520	1.8
149.06055	4.0
160.01648	70.5
161.02072	1.5
161.04547	1.9
171.10251	1.4
173.04500	3.3
175.03984	72.0
176.04454	2.1
178.02728	1.4
179.03447	1.7
179.05681	1.2
189.12839	4.4
191.05553	3.8
191.07158	2.3
193.05023	33.8
199.42281	1.1
203.05600	2.4
207.06439	1.9
207.13860	2.3
217.85298	1.2
225.14960	2.6
227.00417	1.4
235.06158	7.6
260.26114	1.4
265.07123	1.6
413.21896	1.8
429.17749	2.6
473.16382	100.0
474.16867	6.6
477.34390	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	473.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12120	0.4
57.25620	0.4
59.01376	23.0
61.98830	2.3
67.35322	0.3
71.01379	3.0
71.58954	0.7
73.02940	1.5
75.00872	0.4
75.02007	0.4
78.95905	3.4
79.95727	3.1
83.01395	0.5
83.05011	0.5
85.02940	1.6
87.00882	0.8
89.02442	1.1
93.03463	1.3
96.96004	100.0
96.96891	5.0
101.02428	1.7
102.09663	0.4
111.04496	0.6
113.02443	1.6
114.98589	0.9
119.03539	0.5
133.20833	0.4
135.04504	0.8
137.02451	0.5
151.11223	0.4
157.08693	0.8
161.04593	0.6
164.42082	0.4
173.04521	4.5
191.05594	4.5
192.05850	0.4
219.17587	0.4
221.29407	0.4
281.17554	1.2
297.10181	0.4
299.18491	2.4
312.93365	0.5
353.12769	0.5
375.20132	3.8
376.20694	0.5
379.16022	0.4
413.14807	0.5
413.21585	0.6
431.23038	0.5
473.17267	0.7
473.23599	4.0
474.23782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
57.06847	1.0
58.00576	1.2
59.01377	51.5
61.98824	1.0
69.59699	6.0
71.01374	12.8
73.02945	6.4
79.95735	1.0
80.96508	2.3
82.96088	3.6
83.01389	1.9
85.02929	4.2
87.00885	1.3
89.02445	5.9
96.96064	1.0
101.02420	7.4
111.75898	0.9
113.02448	5.8
117.03462	2.1
118.81318	1.0
119.03492	2.6
132.02176	14.2
133.02899	1.9
134.03728	29.9
135.06633	3.6
137.02362	1.1
137.09682	1.2
149.06049	3.9
160.01646	71.8
161.02167	1.7
161.04501	2.1
171.10304	1.7
173.04544	2.8
173.95113	1.0
175.03989	84.2
176.04445	3.7
177.01782	1.2
179.03650	1.2
189.12843	2.0
191.05545	2.2
191.07137	2.3
193.05037	39.9
194.05376	1.2
199.13240	1.1
204.57007	1.0
207.06638	1.5
207.13876	1.2
227.00200	1.2
235.06120	8.4
265.07266	1.6
292.74594	1.1
295.08163	2.3
297.11960	1.2
301.91803	1.1
429.17471	1.8
431.15656	1.2
432.57397	1.0
473.16489	100.0
474.16827	8.4
498.49628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16466	0.8
57.03437	1.2
59.01377	43.0
71.01385	10.8
71.63152	1.2
73.02951	5.2
76.37234	0.7
81.03455	1.1
82.96095	0.9
83.01388	1.1
84.38539	0.8
85.02946	3.6
88.21768	0.8
89.02437	6.7
89.05180	0.9
93.03477	1.4
96.96012	0.8
99.00856	0.9
101.01974	0.7
101.02457	7.9
110.33198	0.8
113.02445	5.2
117.03461	2.0
119.03474	1.2
125.02481	1.1
132.02177	14.5
133.02933	3.0
134.03731	27.7
135.04051	1.0
135.06625	2.9
137.02405	2.5
140.57039	0.8
143.03485	1.1
149.06009	3.8
160.01649	80.7
161.02008	2.8
161.04506	2.0
163.11272	0.9
170.48416	1.0
173.04584	2.2
173.06065	1.0
175.03990	93.7
176.04454	5.0
178.02727	1.4
179.05548	1.3
189.12953	1.0
191.05643	1.7
191.07120	4.8
193.05049	42.2
194.05388	2.3
207.06665	1.7
207.10257	1.0
207.13783	1.7
235.06087	17.8
236.06546	1.1
265.07220	1.8
295.08282	3.0
303.27039	0.8
322.06555	0.8
337.09067	1.3
413.21985	1.4
429.17615	11.8
430.18146	1.4
473.16599	100.0
474.16766	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	473.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09599	0.3
59.01369	4.9
61.98834	0.7
69.03464	1.6
70.51577	0.7
70.51968	0.7
71.01373	2.5
73.02930	0.6
83.05043	1.0
85.02941	0.9
87.00875	0.7
89.02444	2.1
93.03461	0.5
96.95988	2.0
101.02411	0.8
102.27753	0.4
104.60115	0.3
107.05042	1.1
109.02946	2.6
109.06576	0.9
111.00859	2.0
111.04514	0.4
113.02440	0.5
118.98072	0.5
119.04995	0.4
121.02930	2.5
128.03589	0.4
131.03571	0.3
133.02898	0.7
134.03757	3.3
135.04510	87.8
136.04848	2.4
137.02455	0.6
139.03961	0.7
149.02386	0.3
149.06093	0.5
159.04503	0.8
161.02365	0.4
162.03177	0.4
163.03973	0.6
165.05545	1.7
173.04596	0.5
175.03972	1.0
177.05524	3.0
178.02753	1.8
179.03474	100.0
180.03822	3.5
191.05577	1.2
205.08687	0.6
219.02975	0.5
219.06638	0.7
221.04512	6.3
231.10254	1.5
243.01671	0.4
249.11235	1.3
311.07745	5.9
311.11337	0.9
312.07944	0.4
323.07507	0.5
341.08728	7.3
341.12692	0.3
342.09351	0.4
353.13489	0.5
455.21542	0.4
468.53232	0.3
473.12820	46.9
474.13141	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	472.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.7
59.01376	41.5
71.01379	30.9
71.57145	1.5
72.99303	2.0
73.02943	1.1
80.56994	0.7
83.01385	0.7
85.02952	4.0
87.00864	1.6
89.02435	45.0
90.02734	0.9
95.01364	1.6
101.02429	17.6
108.28965	0.8
113.02435	14.2
117.27588	0.7
119.03484	17.1
129.03236	0.8
130.08728	39.3
131.03479	2.4
131.04539	1.0
131.09077	0.8
137.02470	1.8
143.03461	2.4
149.04539	1.2
161.04529	4.1
169.71777	0.8
179.04076	1.6
179.05597	20.8
341.10831	100.0
342.11121	4.8
356.66901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01376	100.0
60.01704	0.7
61.98825	2.4
65.22997	0.3
67.41351	0.2
70.76483	0.8
71.01380	3.6
73.02943	1.4
80.96514	0.3
83.01415	0.4
85.02942	1.5
87.00890	0.8
89.02457	1.3
93.03444	0.7
96.96010	0.4
101.02439	2.1
113.02455	1.2
119.03522	0.5
133.02931	0.3
135.04515	0.3
141.09218	0.5
161.04581	1.0
173.04530	1.8
181.05138	0.4
191.05579	1.4
192.11592	0.6
203.05605	1.9
207.13882	5.4
210.28978	0.3
211.13493	0.8
249.14867	1.9
297.17090	0.4
331.17816	0.7
349.18811	1.0
391.19891	1.2
411.20303	0.5
471.22491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07917	0.5
52.75177	0.5
57.03437	1.3
59.01372	100.0
60.01703	0.8
61.98822	2.1
62.62319	0.5
64.99246	0.5
69.03484	0.6
69.58406	3.8
71.01372	13.9
72.99297	0.9
73.02947	4.0
73.91669	0.5
78.95902	0.6
83.01389	1.6
83.05025	0.8
85.02940	4.4
87.00863	0.7
89.02434	10.6
89.02966	0.8
93.03468	2.4
95.05048	0.6
96.96022	0.9
97.02894	0.6
99.00890	1.1
101.02430	8.9
113.02428	7.9
115.06198	0.6
116.65222	0.5
119.03480	3.3
120.16173	0.6
131.03442	0.6
137.09761	0.8
143.03531	1.7
152.08426	1.4
153.09210	3.9
159.02974	1.2
161.04535	12.9
161.05853	0.9
161.09673	1.1
163.11275	0.6
165.09215	1.3
173.04527	5.4
179.05582	3.6
187.11224	1.1
191.05620	2.4
225.11383	1.3
231.13881	3.4
249.14909	8.3
313.70889	0.6
349.62637	0.5
411.20142	4.3
453.15366	1.9
471.15863	0.9
471.22394	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	471.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01376	100.0
69.80621	7.9
70.78735	1.4
71.01383	24.1
73.02953	11.3
79.95740	2.2
80.96503	19.7
82.40336	1.4
83.01384	2.8
85.02942	7.0
87.00854	3.2
89.02426	9.2
93.03466	1.8
94.98096	4.6
95.01386	2.4
95.63796	1.3
96.96019	2.2
97.02940	2.3
98.07471	1.8
101.02433	11.9
104.59802	1.4
105.11005	1.6
113.02445	14.0
119.03485	3.2
136.05310	2.0
138.06853	8.1
139.07581	3.0
148.99165	2.3
151.07588	5.0
152.08434	14.3
152.98582	2.5
153.09207	38.1
161.04530	5.7
164.98579	3.2
171.10252	6.0
173.04538	5.0
175.46823	1.7
191.05582	2.9
205.12360	13.2
207.10258	1.6
223.13431	6.6
225.00705	7.1
225.11237	1.8
243.12151	1.4
299.38275	1.5
367.13324	3.0
367.17511	26.1
368.18106	2.2
385.18643	3.7
427.19684	6.6
471.15387	44.2
472.15796	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92404	1.2
55.01870	2.2
57.03430	2.9
58.00590	3.3
59.01376	100.0
60.99295	3.4
61.98829	6.5
67.01556	1.3
67.01878	8.5
67.38590	1.2
68.02240	1.4
69.03445	3.9
69.35219	2.3
69.35622	7.3
71.01376	58.4
72.01712	1.5
72.99285	4.8
73.02948	8.5
81.03449	1.9
83.01379	6.7
85.02950	19.5
87.00867	12.4
88.01163	1.5
89.02441	59.5
93.03448	52.0
94.03786	17.3
94.61988	1.1
95.01375	5.5
95.04095	1.2
96.96017	4.2
99.00868	3.0
101.02441	41.3
109.02908	3.2
111.00871	2.5
111.04501	6.2
112.04828	2.7
113.02438	27.2
113.05006	1.4
115.03942	1.1
117.03423	1.2
119.03496	28.4
122.03741	6.4
131.03491	4.4
133.03008	2.4
134.03700	9.8
135.04437	5.7
136.05345	8.2
137.02440	10.1
137.06111	10.5
137.09721	1.5
138.02739	3.5
139.02875	2.3
143.03499	6.8
144.03745	1.2
151.07661	2.5
152.08440	2.9
155.03491	2.4
159.02905	1.7
161.02377	2.8
161.04547	12.7
168.07892	24.7
173.04530	50.7
174.04881	21.2
174.06505	1.5
174.06906	1.1
175.05002	21.8
177.01909	2.0
178.02701	5.7
179.03186	3.9
179.05606	17.0
180.03151	2.1
189.09180	5.6
191.05574	15.3
192.05917	7.6
193.06082	6.9
203.10770	5.3
204.11365	3.1
226.26073	1.3
229.15924	7.2
247.13367	2.3
259.16916	8.8
265.14301	1.8
271.17120	1.7
275.09274	1.6
277.09763	1.4
277.18192	6.1
284.03107	1.7
293.10413	1.9
294.10596	2.7
294.20300	1.2
295.10870	3.4
303.46033	1.3
307.19043	2.8
317.15967	4.2
324.92020	1.2
372.09552	1.9
409.19962	1.2
421.22394	9.6
431.09854	2.5
439.23312	93.9
440.23743	7.0
451.15063	19.8
469.16159	29.4
469.24304	77.8
469.30286	1.4
470.16739	2.2
470.24582	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	469.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
57.03431	3.0
58.00582	3.0
59.01375	100.0
60.99282	2.9
61.98828	8.2
66.35850	1.1
67.01895	9.6
69.03438	3.0
69.28789	9.2
69.29206	3.3
71.01374	68.2
72.01726	2.2
72.99305	5.4
73.02938	10.0
75.00844	1.4
81.03464	2.5
83.01376	5.4
83.05019	1.5
85.02937	21.2
87.00873	12.9
89.02437	61.1
93.03452	48.5
94.03790	20.2
95.01363	5.2
95.03905	2.8
96.95409	1.3
96.95978	4.8
97.02921	2.2
99.00858	2.7
101.02438	38.2
108.60310	1.3
109.02914	2.9
109.06585	1.2
111.00875	2.3
111.04501	9.0
112.04833	2.5
113.01685	1.9
113.02436	27.9
113.04832	1.2
119.03493	31.4
122.03751	7.2
129.01907	3.4
131.03453	2.6
133.02962	2.4
134.03757	10.7
135.04538	7.5
136.05342	7.7
137.02455	10.3
137.06078	11.2
138.02766	3.6
143.03491	9.9
149.04527	4.6
149.05988	1.5
151.07645	2.8
152.08385	3.5
155.03419	2.8
161.04552	10.6
168.07896	26.2
173.04527	50.0
174.04887	26.4
175.05011	19.7
175.07524	1.4
177.01871	2.1
178.02625	4.1
179.03209	3.2
179.05591	14.9
180.03239	3.1
187.11171	1.6
189.09154	5.8
191.05586	16.8
192.05881	8.1
193.06061	6.0
203.10696	3.6
204.11543	3.5
205.12234	1.6
207.99339	1.4
229.15938	4.9
259.16959	7.8
271.16498	2.0
277.18292	7.0
285.03885	1.6
289.17831	1.7
293.10190	1.6
294.10611	2.6
295.10577	3.3
301.16574	1.9
317.15918	3.9
342.96524	1.4
364.05045	1.4
406.19577	2.6
409.20776	2.3
421.22458	9.0
431.09714	1.8
439.23297	98.6
440.23471	8.3
451.15118	21.9
469.16113	30.4
469.24271	81.7
470.24661	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	467.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63668	1.2
61.98827	1.3
66.93903	1.2
69.53725	5.8
78.95895	44.2
84.86086	1.1
96.96946	4.1
104.63753	1.2
123.47812	1.2
138.97993	3.1
150.98077	1.2
152.99571	66.6
171.00609	18.3
171.21358	1.6
182.32924	1.3
191.05713	1.5
213.01640	16.6
227.03233	4.0
231.02693	2.6
239.20146	67.4
240.20465	4.1
245.04282	100.0
246.04678	3.4
253.21663	7.6
283.08563	2.1
387.68491	1.2
449.22943	4.8
467.17221	2.6
467.24072	55.2
468.24316	6.4
469.37747	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	469.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.9
61.98818	4.6
70.75761	1.8
71.01373	0.8
72.00897	6.0
73.02926	0.6
74.02464	8.2
74.65631	0.5
76.21053	0.6
86.49280	0.6
96.96002	6.6
98.95586	1.7
113.98808	0.6
114.75783	0.6
116.05051	33.3
117.05389	0.9
130.06573	0.8
133.34923	0.5
135.04477	1.4
135.33052	0.6
142.06621	10.0
153.01927	1.0
159.09270	7.9
160.09528	0.6
173.04454	0.8
179.03474	1.4
180.50330	0.5
186.05600	1.4
203.08246	100.0
204.08537	3.8
211.93686	0.6
225.06421	0.8
271.08286	0.8
281.49796	0.7
307.08328	1.3
409.04166	0.6
469.15396	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	467.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57089	0.2
71.39138	0.6
79.95738	2.3
81.43501	0.3
92.50468	0.3
96.96001	100.0
107.48460	0.3
133.09325	0.3
188.58858	0.3
206.66254	0.3
287.09583	1.2
305.10596	0.4
394.03091	0.3
467.15848	80.0
468.16193	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	467.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58442	0.2
71.32022	0.6
74.87642	0.2
79.95728	2.2
80.17410	0.2
80.17873	0.2
96.96007	100.0
100.98744	0.2
191.05579	0.3
198.83762	0.3
250.90913	0.2
287.09589	0.8
398.68381	0.2
430.91373	0.2
467.15863	60.4
468.16199	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	467.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79790	0.2
57.03424	0.3
59.01118	0.3
59.01378	2.6
60.01727	0.2
61.98826	4.4
70.76342	0.2
70.76688	0.5
71.01381	0.9
78.95892	0.5
79.95747	1.7
83.01363	0.2
85.02944	1.4
85.29610	0.2
87.00877	0.3
89.02454	0.7
93.03454	0.6
96.96005	100.0
97.95987	0.4
101.02386	0.4
104.62782	0.2
113.02412	0.5
136.81851	0.2
147.02979	0.2
162.03304	0.2
167.10690	0.3
173.04568	1.1
176.04813	0.2
182.82533	0.2
187.07603	0.7
191.01990	0.3
191.03909	0.4
191.05605	4.7
202.91359	0.2
205.08624	0.6
231.10213	0.9
249.11356	0.4
275.09366	0.3
287.09549	0.8
293.10159	0.3
407.22638	0.4
425.31186	0.2
467.15866	59.8
468.16272	5.2
468.21323	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	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70170	0.3
59.01381	3.8
61.98827	100.0
69.33427	0.5
69.33776	3.2
71.01375	0.9
78.02275	0.3
78.95905	2.1
85.02953	0.8
87.00883	0.8
93.03461	3.0
96.96018	0.4
101.02455	0.4
111.04485	0.5
134.03719	0.4
135.04546	0.4
137.02415	0.6
139.04004	0.7
152.99606	1.1
153.20741	0.3
155.03584	0.4
171.10312	0.4
173.04565	4.5
173.06009	0.6
174.04863	0.3
191.05583	4.8
320.23227	0.3
333.93860	0.4
449.14404	0.8
457.14453	0.4
467.15729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
58.00574	0.8
59.01376	100.0
60.01693	0.7
61.34659	0.6
61.98826	8.1
67.01906	0.7
67.65611	0.5
69.79103	3.0
69.94251	0.5
71.01378	16.9
71.01760	1.1
72.99305	0.7
73.02950	1.1
75.00871	1.0
76.32780	0.6
78.95896	4.4
81.03418	0.6
81.90598	0.5
83.05033	0.9
85.02944	6.0
87.00870	2.5
89.02437	21.7
93.03439	3.6
95.01411	1.1
96.96013	4.0
99.00850	1.0
101.02444	9.3
103.48021	0.5
109.02952	0.5
109.73648	0.5
110.98499	0.8
112.05325	0.6
113.02442	7.8
116.92896	0.6
117.05730	0.5
118.96604	0.5
119.03493	11.6
119.04289	0.8
127.04033	0.8
131.03552	1.7
134.07347	1.2
143.03477	2.8
149.04596	1.4
149.09706	9.7
153.09209	3.2
161.04506	5.1
167.10754	18.8
173.04504	5.8
174.03191	1.3
175.07625	0.8
179.05600	11.0
191.05594	29.1
192.05978	1.3
192.99731	1.7
199.00764	1.0
203.07158	1.1
207.13908	0.7
210.05638	2.1
211.07507	0.6
225.14995	3.8
229.08757	2.0
241.96457	0.5
243.15977	2.9
247.09766	1.6
271.06024	0.7
273.07651	8.2
274.07874	0.6
405.21317	19.4
406.21741	1.9
465.14920	1.7
465.23404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63066	0.3
52.69919	0.3
53.99412	0.3
55.48880	0.3
59.01371	1.1
61.98822	1.0
64.75990	0.3
65.13136	0.3
69.67115	1.7
78.95895	53.2
85.83593	0.3
96.95995	0.5
96.96944	5.4
101.02430	0.4
107.12434	0.3
135.92645	0.3
150.98007	1.7
152.99571	100.0
153.99928	1.1
171.00600	4.5
191.05614	0.7
277.95914	0.4
291.19669	0.4
311.22287	0.7
345.13730	2.2
357.06042	0.4
465.22513	22.0
466.22861	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	465.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49546	0.2
59.01362	0.6
60.34031	0.2
61.98819	0.5
63.60736	0.2
71.22354	0.4
78.95895	51.9
94.45149	0.2
96.96957	6.0
118.96124	0.2
150.98024	2.0
151.89787	0.2
152.99571	100.0
153.99896	1.2
171.00630	4.4
191.05574	0.4
212.93469	0.2
290.75198	0.2
311.22253	0.3
322.02197	0.2
465.22513	20.4
466.22742	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	465.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20096	0.4
52.76929	0.4
59.01360	1.5
61.98801	0.7
67.01878	4.8
71.33855	0.8
72.11417	0.4
78.95901	0.8
83.01378	1.3
85.02943	9.1
101.06081	0.5
111.00869	100.0
112.01195	1.5
125.09727	0.6
129.01950	4.9
149.80714	0.5
152.99571	0.8
154.07446	0.5
154.98676	0.6
154.99811	3.3
199.09721	0.7
201.11316	0.7
247.20694	1.3
264.70157	0.5
291.19647	11.6
292.19949	0.6
309.20670	29.3
310.20901	2.5
315.23099	2.6
333.24280	0.6
359.22232	3.3
421.22311	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	465.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.7
61.98825	50.9
65.95432	0.6
71.01374	4.0
71.63765	1.0
72.99290	0.8
73.02948	1.6
78.83012	0.5
78.95900	100.0
81.03442	0.7
82.68629	0.5
83.01421	0.8
85.02944	2.6
87.00872	1.2
87.04506	0.7
89.02409	0.9
91.04007	0.6
93.03464	2.5
96.96953	9.9
97.02972	0.6
97.06570	0.7
99.00863	0.9
101.02442	3.0
111.04520	1.0
113.02427	1.2
114.86660	0.7
135.04497	1.3
137.02426	0.6
146.36183	0.6
150.97972	1.9
152.99574	88.7
153.99930	1.3
155.03436	0.8
159.10147	0.5
163.39436	0.5
171.00629	4.0
171.10190	0.8
173.04547	6.8
174.04875	0.7
186.20004	0.6
191.05602	10.3
192.05870	1.4
267.19504	2.4
285.12766	0.7
291.17923	2.3
300.52393	0.6
303.39563	0.6
311.18597	0.8
329.23132	0.6
330.23526	0.7
331.23764	1.0
351.57101	0.7
423.22296	3.1
447.17426	2.1
465.18515	30.7
466.19321	3.0
482.49512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
57.10775	0.6
59.01373	24.1
59.19265	0.6
60.01713	0.8
61.98827	9.4
65.00317	0.6
67.01884	2.0
69.03436	2.0
71.01377	8.6
73.02946	2.6
78.95900	1.5
79.00092	0.6
79.95725	1.1
81.03425	1.1
83.01378	1.1
83.04987	1.3
85.02951	13.8
87.00878	4.1
89.02443	6.2
93.03445	12.1
95.01369	0.7
95.36779	0.6
96.96004	34.4
96.96950	1.2
98.20609	1.9
98.95568	1.6
99.04515	2.0
101.02425	5.2
103.96393	0.6
105.03503	0.6
107.05061	0.7
109.02934	2.0
111.00858	0.8
111.04463	3.5
113.02447	4.0
115.04021	0.6
116.92873	1.1
119.03486	2.1
119.04979	0.9
121.02869	0.6
125.02449	3.8
127.03981	3.8
133.02954	8.0
135.04565	0.8
137.02417	2.4
139.02238	0.8
143.03458	1.7
149.02425	0.7
153.01918	1.2
155.03445	2.9
160.01669	3.1
161.04515	2.1
163.99350	3.5
165.00137	27.4
166.00529	1.2
167.01700	19.3
173.04523	22.0
174.03210	1.6
178.99826	0.9
179.05577	1.9
181.01381	0.7
185.06105	0.7
191.05585	85.0
192.05879	2.5
192.99614	100.0
193.99875	4.0
199.00587	0.7
200.04826	0.7
203.07013	1.9
208.99106	24.6
209.99214	0.7
229.08694	0.9
235.00763	1.8
243.15868	1.0
247.09799	1.1
251.00110	4.1
258.73254	0.6
273.07715	2.7
285.04062	1.4
303.05142	2.4
322.84549	0.7
347.02576	0.6
365.03317	7.1
383.04498	1.2
385.05975	2.9
405.16464	0.8
405.21301	9.7
408.03143	0.7
420.36835	0.7
447.00519	10.7
448.00729	0.6
465.01590	64.2
466.01981	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	464.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15630	1.6
61.02712	1.9
61.98825	100.0
70.84417	4.6
74.97789	2.1
78.05271	2.2
81.96233	1.6
98.02137	1.9
98.28650	1.7
152.71045	1.8
162.08344	2.0
168.88669	1.8
169.06992	1.7
247.18683	1.7
281.35709	1.8
351.77298	2.1
465.30011	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	465.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98037	0.5
57.03437	4.2
59.01373	13.0
61.98826	11.4
65.00317	1.8
67.01901	0.6
69.03438	0.5
70.99424	0.5
70.99764	0.9
71.01375	4.9
73.02939	1.3
81.03445	0.8
83.01369	3.4
85.02946	10.0
87.00853	3.4
89.02445	3.8
93.03452	6.9
95.01387	0.6
95.05010	0.4
96.95999	9.1
97.02957	0.7
99.00862	0.4
101.02426	2.9
105.03437	1.5
107.01381	3.2
109.02960	4.4
110.58655	0.5
111.00871	0.7
111.04517	1.6
113.02443	2.2
119.03481	1.7
119.32809	0.4
121.02943	1.3
123.04527	2.1
124.01673	1.7
125.02435	56.2
126.02763	1.2
127.03999	2.1
131.01343	1.0
132.02174	0.9
133.02940	10.3
135.04494	1.6
137.00665	0.5
137.02409	2.5
139.04005	1.5
143.03477	0.7
147.04492	0.6
149.02411	8.4
150.03209	1.0
151.00352	16.5
151.04021	1.4
152.01114	1.9
153.01929	15.4
155.03485	0.4
160.01648	5.6
161.02412	0.8
161.04582	1.0
163.00281	0.4
163.04027	0.8
163.99341	0.7
165.00136	13.1
165.01649	0.8
166.00432	0.5
167.01730	0.9
167.03458	1.0
169.01384	0.7
171.03046	0.5
171.04436	0.8
172.05334	0.6
173.02379	0.5
173.04581	5.0
173.06029	1.0
174.03233	1.7
175.00389	2.3
175.03975	6.1
176.01175	0.6
177.01910	10.3
178.99847	11.8
179.03477	1.1
179.05653	0.8
180.00169	0.5
181.01404	7.6
188.04727	1.0
189.05458	2.1
191.05589	100.0
192.05914	3.0
192.99619	66.3
193.99947	1.9
195.02986	1.5
198.03336	0.4
199.04030	3.1
201.01900	1.0
203.07106	0.7
205.01488	0.8
208.99113	15.8
209.99471	0.7
213.05589	0.8
216.04204	0.7
217.05031	3.0
219.40144	0.4
223.02467	0.5
231.06647	0.6
235.87851	0.4
241.05022	3.0
247.09885	0.5
257.04605	0.7
259.06006	1.2
273.07712	1.1
275.02582	0.7
275.05615	12.5
276.06033	0.6
284.03296	0.7
285.04022	28.7
286.04370	1.2
299.05600	4.4
303.05084	47.6
304.05374	2.5
309.04129	0.5
313.05814	0.6
317.06677	0.6
327.04977	0.9
341.04987	4.4
343.06671	3.2
344.07068	0.5
383.04382	8.8
384.04773	0.9
385.05869	0.6
405.21417	5.1
429.14166	0.6
437.10892	1.7
443.57086	0.5
447.00391	0.7
447.09317	1.9
465.01593	32.1
465.09985	2.3
466.02081	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	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39585	0.3
54.43131	0.3
59.01375	17.7
61.98825	100.0
70.34160	0.6
70.34553	0.6
71.01367	1.6
72.10214	0.3
73.02949	0.5
78.95889	0.6
85.02962	0.7
89.02437	0.3
94.78234	0.3
95.02208	0.3
101.02445	0.9
113.02465	0.5
146.30112	0.3
152.99611	0.6
161.04558	0.8
164.23148	0.3
171.10356	0.4
173.04425	0.4
191.05717	0.7
315.18161	1.3
317.63617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01376	100.0
61.98825	8.5
67.01899	0.9
71.01366	3.5
73.02937	0.7
78.95904	8.2
83.05032	0.9
84.30317	0.8
85.02942	1.2
87.00854	1.9
89.02445	2.9
91.04006	16.3
93.03461	1.8
99.08150	3.2
101.02432	1.3
102.00080	0.8
104.43195	0.9
125.09711	0.9
127.11266	1.7
139.11293	6.2
145.97000	0.8
150.85732	0.8
152.99579	9.9
157.12366	0.9
171.10252	18.3
173.04506	2.8
178.02760	1.0
183.13855	1.2
187.07602	1.1
191.05594	5.9
199.13312	1.3
209.11847	8.4
211.13359	11.0
223.48863	0.8
227.12814	5.7
229.14418	7.7
253.09267	2.1
255.02966	1.6
271.02393	3.1
293.21164	1.8
300.02701	6.0
301.03455	2.8
306.07443	1.1
311.22226	14.2
329.23309	93.4
330.23572	6.6
403.27011	2.0
463.08624	5.9
463.20795	4.0
464.09348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41711	0.4
57.03444	0.6
59.01374	3.8
61.98819	1.5
70.37164	1.1
71.01354	0.6
76.50670	0.4
78.95900	6.6
96.96022	0.5
98.19872	0.5
108.10927	0.6
110.98530	5.2
113.09723	2.3
152.99561	1.5
167.01126	1.9
171.10179	0.6
177.12802	0.7
179.14398	1.6
181.12265	0.6
185.02177	5.5
195.13879	18.0
196.14246	0.9
209.11760	2.8
217.00273	1.5
243.88205	0.4
251.23727	0.8
271.02475	0.8
274.20935	0.4
277.21695	16.3
278.22052	1.3
295.22745	100.0
296.23148	7.4
300.02744	0.8
301.03287	0.9
428.60605	0.5
463.09042	1.5
463.24631	25.3
464.25171	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	463.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01391	2.6
62.82134	0.3
69.54453	2.4
72.75078	0.3
72.91396	0.3
78.95898	6.5
83.05031	0.6
96.95992	0.6
97.06612	0.4
98.20616	0.5
106.79797	0.4
110.98512	5.2
113.09721	2.1
149.86732	0.3
152.99586	0.5
167.01190	2.1
171.10112	0.5
177.12874	0.6
179.14397	1.2
181.12381	0.4
185.02205	6.0
195.13887	17.0
196.14243	0.5
209.11819	1.1
217.00287	0.8
227.81152	0.4
233.22525	0.4
235.69373	0.4
251.23676	0.7
253.09123	0.3
271.02454	0.9
277.21701	15.5
278.22095	1.0
293.20953	0.6
295.22748	100.0
296.23117	6.8
300.02570	1.9
301.03632	0.6
314.03012	0.3
463.09225	0.6
463.24612	23.6
464.24869	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.03463	0.2
58.00595	0.3
59.01373	6.1
61.98818	0.4
63.02871	0.1
63.38317	0.1
65.00307	0.2
69.03447	0.2
69.43074	0.2
69.43476	1.0
71.01376	3.0
72.99303	0.3
73.02943	0.8
74.99079	0.2
80.02671	1.1
81.03445	1.0
83.01393	0.6
83.05021	4.3
84.02150	1.0
85.02947	1.1
87.00876	0.7
89.02435	3.2
91.04020	0.2
93.03436	0.9
94.03763	0.2
95.01344	0.3
95.05014	0.6
97.02976	0.3
97.06586	0.2
99.00861	0.5
101.02434	3.3
107.01390	0.2
108.02177	0.2
109.02934	0.3
109.06571	0.3
111.08125	0.2
113.02460	1.8
119.03497	0.8
121.03004	0.3
125.06056	0.6
125.09652	0.2
131.03578	0.2
133.05023	0.2
135.08142	0.6
139.11211	0.1
143.03506	0.3
147.11797	0.2
149.04568	0.2
151.00349	1.4
154.06511	0.1
161.04553	1.5
161.95201	0.1
163.00377	0.4
163.11278	3.5
164.01160	0.2
164.11612	0.2
165.12830	2.2
173.04521	1.1
174.04915	0.7
175.04997	0.8
178.99847	0.5
179.05586	0.5
181.12328	0.6
182.99936	0.2
191.05638	1.2
191.10735	1.1
199.13351	1.7
201.12701	0.1
209.11806	100.0
210.12143	5.2
226.02614	0.2
227.03511	0.3
227.12862	21.2
228.13167	1.0
235.08173	0.6
239.12857	0.2
243.02917	1.2
247.97423	0.1
253.09253	14.4
254.02313	0.3
254.09543	0.7
255.02933	2.3
271.02432	5.1
272.02914	0.5
287.14960	0.4
288.15268	0.3
289.15451	0.8
290.94208	0.1
299.01971	0.2
300.02713	9.8
301.03455	4.3
301.06729	0.1
302.03891	0.4
463.08725	7.6
463.21039	2.5
464.08972	0.8
464.21939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01846	0.9
57.03410	2.2
59.01374	60.9
60.01699	1.0
60.76957	0.7
61.98797	1.1
68.91293	0.7
69.51780	2.6
69.52209	2.6
71.01370	6.5
73.02943	4.1
75.00845	1.0
77.62564	0.6
83.01362	1.6
83.05013	1.0
83.56812	0.7
85.02963	5.1
87.00826	1.1
89.02407	2.3
93.03416	2.0
98.20702	0.9
99.00824	1.0
101.02431	7.2
107.01342	1.1
109.02913	0.8
111.04456	1.5
113.02449	3.4
119.03343	0.7
135.00774	0.8
139.11267	20.4
140.11525	0.8
151.00298	2.5
159.02884	0.7
161.04475	2.5
163.11174	2.0
165.09154	1.0
173.04631	4.1
178.99785	1.0
181.12343	6.5
183.10242	26.6
184.10490	0.8
189.15083	0.8
191.05591	10.9
199.13293	1.7
207.10085	0.9
209.11850	6.7
225.11270	3.7
227.12697	2.3
237.09654	2.1
243.02844	0.8
243.12279	1.6
253.09207	1.7
255.02754	2.7
271.02206	6.3
271.05231	1.3
272.02734	0.8
285.03870	1.1
289.06970	0.8
296.15167	0.7
299.01810	1.8
300.02698	8.8
301.03384	6.8
301.19894	1.9
445.07431	1.6
445.20126	5.7
446.20435	1.0
463.08588	8.0
463.21378	100.0
464.21680	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04356	0.2
58.00581	0.4
59.01091	0.3
59.01373	5.2
59.19211	0.2
61.98829	0.2
69.37463	1.6
71.01376	3.3
72.99300	0.2
73.02936	0.8
80.02659	0.9
80.04551	0.2
81.03453	1.0
83.01379	0.5
83.04548	0.3
83.05020	4.3
84.02155	0.7
85.02947	1.0
87.00867	0.5
89.02438	2.6
91.04030	0.2
93.03442	0.4
95.01388	0.2
95.05006	0.7
98.20576	0.3
99.00876	0.2
101.01765	0.2
101.02438	3.8
109.06569	0.3
111.42898	0.2
113.02446	1.7
119.03484	0.8
125.06075	0.7
131.03502	0.2
135.08125	0.6
143.03484	0.3
151.00356	0.2
161.04536	1.1
163.11266	3.3
165.12811	2.5
173.04549	0.5
178.99905	0.2
179.05568	0.5
181.12326	0.6
191.05582	0.6
191.10742	0.8
199.13377	0.6
203.99757	0.2
209.11804	100.0
210.12131	5.3
227.12865	16.8
228.13197	0.9
235.08240	0.4
239.12834	0.5
243.02954	0.3
253.09251	13.0
254.09645	0.5
255.02919	0.4
271.02435	0.9
271.05591	0.3
289.07346	0.2
300.02716	1.1
301.03333	0.6
347.29572	0.2
415.77426	0.2
459.87595	0.2
463.08118	1.0
463.21658	0.9
464.09329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
57.03447	1.7
58.00601	1.1
58.19376	0.4
59.01374	100.0
60.01715	0.9
61.98823	0.7
66.05392	0.4
69.03455	0.7
69.26784	2.3
69.27209	2.1
71.01376	34.5
72.99301	1.2
73.02941	25.7
75.00873	1.0
83.01388	6.8
85.02946	17.2
86.00094	0.9
87.00884	1.8
89.02440	8.9
93.03455	0.9
95.01376	2.7
97.02938	1.8
99.00868	9.5
101.02435	31.2
101.62049	0.5
105.89962	0.4
111.00851	1.2
112.01672	0.9
113.02438	17.1
118.98108	0.6
119.03500	1.4
125.02440	2.2
129.01935	1.0
131.03494	2.4
141.01955	0.5
143.03455	2.4
159.02904	2.4
161.04543	9.6
173.04440	0.5
184.92010	0.5
191.05556	1.8
209.11818	0.9
223.13397	1.2
243.02858	0.4
271.02481	1.1
271.15445	2.2
289.16537	28.0
290.16904	1.2
300.02548	2.3
301.03394	1.3
331.17557	3.5
403.19406	2.7
421.20715	50.7
422.21036	3.4
463.08472	1.4
463.21719	62.7
464.21960	5.9
476.07028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29144	0.9
55.01884	1.0
55.10099	0.9
55.27834	0.9
57.03440	1.6
58.00597	1.4
59.01376	100.0
60.90677	0.8
61.26070	0.9
61.98817	4.1
69.56293	5.4
69.56703	2.0
71.01379	39.4
73.02937	7.9
81.88781	0.9
83.01360	3.1
83.05013	1.3
83.90508	1.1
84.02148	4.0
85.02952	9.7
86.03383	0.9
87.00886	1.7
89.02437	18.6
95.01360	1.9
95.05007	1.4
96.96003	9.5
97.02956	1.6
99.00875	3.0
99.04518	3.1
101.02423	19.4
111.04556	1.0
113.01788	1.1
113.02450	12.4
115.03973	0.9
115.47851	0.9
119.03502	7.7
121.06610	1.5
131.03458	1.9
135.04280	0.9
137.09734	1.1
139.07617	2.6
143.03519	4.5
147.11812	1.2
159.03026	4.4
161.04558	27.5
161.09679	1.3
165.09227	1.4
173.04526	1.5
177.12793	3.9
179.05618	8.1
179.10709	3.5
187.11301	1.4
188.08348	2.7
191.05609	3.5
205.03313	1.2
205.12306	29.0
223.13364	52.0
224.13622	2.4
241.14433	52.2
241.25269	1.0
242.14670	1.7
301.03571	1.2
403.19669	14.4
415.38721	1.1
463.22168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03460	0.4
58.00600	0.4
59.01373	8.3
59.75364	0.2
61.98841	0.5
66.74107	0.2
71.01374	3.8
71.05042	0.2
71.63038	0.3
72.99295	0.3
73.02948	1.0
80.02693	0.9
81.03464	1.0
82.13663	0.2
83.01389	0.8
83.05019	4.5
84.02162	0.8
84.26502	0.2
85.02946	1.7
87.00883	0.6
89.02447	3.7
93.03468	1.1
95.01355	0.3
95.05025	0.7
97.02964	0.3
101.02439	4.4
107.01394	1.0
109.02917	0.3
109.06584	0.5
111.04501	0.3
113.02437	2.2
118.98079	0.4
119.03494	0.9
120.99630	0.4
121.02943	0.3
125.06098	0.5
135.04510	0.4
135.08151	0.5
140.34033	0.2
143.03455	0.3
147.11781	0.3
151.00333	2.3
152.01041	0.2
153.70004	0.2
154.91711	0.2
160.01703	0.2
161.04559	1.6
163.00456	0.4
163.11264	4.0
164.01086	0.3
165.12808	2.1
173.04521	1.3
173.05817	0.2
178.99826	1.3
179.03461	0.4
179.05603	0.6
181.12349	0.6
187.03900	0.2
191.05589	2.0
191.10768	1.0
199.04005	0.3
199.13367	0.4
207.10274	0.5
208.10597	0.3
209.11801	100.0
210.12125	5.4
225.11269	0.5
226.11583	0.4
227.03470	0.3
227.12857	18.1
228.13219	0.8
229.04950	0.2
235.08168	0.4
240.04121	0.3
241.04865	0.3
242.02173	0.3
243.03041	1.1
244.03758	0.3
245.00793	0.3
253.09248	14.4
254.09503	0.7
255.02928	1.1
268.03601	0.3
270.01505	0.4
271.02441	4.3
272.03140	1.1
273.03973	0.4
283.05927	0.6
283.19107	0.8
298.01059	0.4
299.01993	2.7
300.02689	5.3
301.03439	4.9
301.07047	1.0
302.03748	0.3
304.76343	0.2
316.02087	0.9
317.02963	0.7
445.07733	1.5
445.24866	0.5
463.08670	7.3
463.20142	0.8
463.26364	2.5
464.08560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08613	0.2
59.01376	2.1
61.98825	1.3
62.96399	0.3
63.94473	0.3
71.01368	0.4
71.19875	0.2
78.95897	55.0
89.73279	0.2
93.03452	0.4
96.95980	0.5
96.96958	6.4
101.02454	0.4
111.08080	0.2
113.02425	0.2
138.58937	0.2
150.98061	1.6
151.00334	0.3
152.99573	100.0
153.99916	1.2
155.89720	0.2
171.00624	4.4
173.04524	0.3
175.90149	0.2
178.99866	0.2
191.05617	0.5
197.11844	0.5
207.10223	0.2
209.11841	2.3
227.12849	0.9
243.02960	0.4
253.09277	0.3
255.02881	0.5
259.96481	0.3
269.39117	0.2
271.02426	1.1
281.48557	0.2
300.02747	2.2
301.03430	0.9
463.08844	1.5
463.20969	19.5
464.21411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01374	22.6
60.99298	0.5
61.98817	4.7
63.18404	0.4
71.01376	6.7
72.45911	0.5
72.99297	0.7
73.02931	1.9
75.00869	2.2
76.22926	0.5
83.01360	1.0
83.05030	1.1
85.02942	3.3
87.00863	1.9
88.98787	2.0
89.02439	4.6
93.03444	2.7
93.57695	0.4
96.96005	2.9
99.00894	1.1
101.02438	3.9
111.04559	0.6
113.02473	2.9
113.07221	0.5
119.03476	1.8
122.17591	0.5
123.04545	0.5
125.02347	0.4
135.04422	0.5
136.05344	0.5
137.02477	0.6
137.09648	0.7
143.03464	0.5
145.05067	1.7
149.06073	1.2
149.49265	0.5
151.07643	0.7
161.04533	3.2
161.05910	0.9
165.09320	0.4
167.01700	1.2
167.10733	1.5
168.02525	1.6
173.04518	4.0
179.05609	1.1
179.07056	0.6
181.03270	1.0
181.04951	0.7
182.04044	62.3
183.04572	4.0
191.05586	9.3
194.04031	2.8
195.04837	18.4
196.01945	1.2
196.05154	1.0
197.02736	5.7
199.03876	0.4
205.12218	0.7
209.11815	10.4
211.04327	2.0
212.05106	53.9
213.05867	19.6
214.06192	1.0
223.13351	1.1
227.12854	1.6
235.08238	5.2
241.14470	1.5
253.09253	1.1
261.12381	1.0
271.05978	0.6
283.10806	0.7
289.07266	1.0
289.10773	0.4
300.02704	0.8
301.03531	0.6
301.20148	0.4
329.16031	0.5
356.73166	0.4
361.19046	0.5
375.11130	100.0
376.11469	7.8
403.19897	2.5
404.26480	2.1
419.19495	0.5
463.12799	17.9
463.18069	0.7
464.13293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Gossypetin 8-rhamnoside
Peak:m/z	Relative Intensity
54.16890	0.5
54.18138	0.5
57.03432	0.8
57.34860	0.5
58.00597	0.5
59.01089	0.7
59.01375	14.3
61.98833	1.2
63.02391	2.9
65.00320	2.0
69.49364	2.9
71.01376	6.0
72.99309	0.5
73.02926	1.1
74.99088	1.0
80.02657	0.8
81.03461	0.6
83.01364	2.3
83.01809	0.5
83.05019	2.7
84.02149	0.8
85.02940	3.1
87.00869	1.0
89.02448	4.5
93.03444	2.0
94.96392	0.5
95.01373	1.0
95.04976	0.7
99.00877	0.7
101.02435	4.8
107.01371	5.0
108.02185	0.7
109.02956	3.4
109.06596	0.5
111.00834	0.9
113.02430	2.4
119.03483	1.0
120.99613	1.9
121.02921	0.8
123.00817	0.7
124.01653	3.6
125.02444	2.7
127.03923	0.5
131.03487	0.7
133.02931	0.6
135.00839	0.5
135.04491	0.8
136.01631	0.9
137.02415	2.2
143.50488	0.5
145.02907	0.8
147.04515	0.5
149.02483	0.6
151.00360	15.8
152.01164	6.6
153.01863	1.0
158.03616	0.8
159.04463	0.8
161.02394	1.4
161.04547	1.7
163.00342	2.2
163.11266	2.2
164.01102	5.3
164.34393	0.5
165.01787	0.6
165.12837	1.1
165.34198	0.5
169.01393	1.3
171.04488	1.5
172.05174	0.9
173.04495	3.0
173.05907	1.0
174.03223	0.9
175.03989	1.1
178.99860	9.7
179.05576	0.6
181.12320	0.5
183.04424	1.7
185.02353	0.9
186.03212	1.3
187.03946	1.9
189.01990	1.1
191.05626	8.5
191.10838	0.5
191.57552	0.5
192.00586	2.0
198.03195	0.7
199.03975	3.4
199.13377	1.2
200.04614	1.0
201.01926	0.9
202.02646	1.0
203.03448	1.0
204.04169	0.6
207.10095	0.6
209.11807	55.1
210.12111	2.2
213.01889	0.6
214.02679	2.8
215.03537	3.1
216.00728	0.5
216.04164	2.1
217.01352	0.6
217.05023	1.1
219.02884	0.5
225.11397	0.6
226.02710	0.8
227.03474	7.4
227.12863	11.6
228.03923	0.7
228.12907	0.5
234.80212	0.6
241.01414	5.5
241.05066	2.2
242.02182	6.0
243.02954	7.1
244.03705	3.9
245.00807	3.4
245.04422	2.0
253.09262	11.7
255.02966	6.6
257.04587	0.6
257.08121	2.6
259.02246	0.6
268.03760	0.6
270.01663	9.6
271.02441	39.4
272.03201	17.6
273.03937	5.8
282.01550	0.7
283.02054	0.6
283.05954	2.5
285.03787	0.7
287.01941	1.1
288.02371	0.7
289.07175	0.7
289.16544	2.5
298.01135	8.0
299.01935	56.4
300.02625	11.6
301.03452	9.8
301.07050	3.3
311.01831	0.5
316.02209	22.2
317.02972	13.7
318.03613	0.8
332.21335	0.6
341.03027	1.2
343.21243	1.1
355.34946	0.6
403.23056	0.6
419.09747	3.2
445.07700	12.6
446.07977	0.8
463.08719	100.0
463.21356	3.4
464.02896	0.7
464.09131	9.8
464.15540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
63.02394	0.6
65.00314	1.2
69.46970	4.5
69.47293	0.5
70.71552	0.5
79.74554	0.5
83.01363	0.8
83.60224	0.5
91.01877	0.6
92.10017	0.6
107.01368	2.4
108.02152	1.9
109.02921	1.6
121.02918	1.5
135.00786	1.1
142.46864	0.5
148.01624	1.7
149.04494	0.6
151.00348	12.5
163.00337	2.3
164.01129	1.0
178.99823	5.4
185.15450	0.6
199.03972	0.9
211.03970	1.6
215.03542	1.0
216.04254	0.6
226.02641	2.2
227.03485	3.9
228.04095	0.6
229.04921	0.7
243.02934	13.6
244.03308	1.1
245.04523	1.2
254.02322	2.7
255.02946	28.4
256.03339	1.8
271.02441	67.9
272.02887	5.7
273.03876	1.0
283.02365	1.6
299.01807	1.2
300.02710	100.0
301.03439	51.4
302.03864	3.0
412.14862	0.6
462.45486	0.6
463.08762	81.4
464.09125	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	461.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57848	0.5
59.01374	4.5
61.98822	0.9
66.59544	0.5
69.74402	3.6
71.01384	1.8
75.05141	0.6
78.95896	8.3
81.32011	0.5
83.05013	0.7
89.02443	1.0
96.95980	0.8
97.02962	1.4
101.02444	1.6
109.02931	1.0
109.06578	6.1
110.98528	7.1
121.10238	0.9
126.13154	0.5
135.08160	0.7
152.99649	1.0
163.11221	3.2
167.01111	2.7
167.10684	0.9
171.10292	3.0
176.32748	0.6
179.14352	1.2
181.12328	2.1
183.13855	4.2
185.02191	7.1
195.13878	8.0
207.10246	19.7
207.57771	0.7
208.10600	0.9
211.13428	1.5
223.13364	8.0
225.11288	13.4
226.11716	0.9
253.09265	4.4
256.13278	1.4
265.21561	0.9
275.20129	8.8
293.21198	100.0
294.21594	6.7
408.92377	0.6
461.23526	26.4
462.23709	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	461.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	1.8
59.01548	1.2
61.98714	0.6
67.58460	0.5
69.25080	1.3
69.25494	3.8
69.57851	0.4
71.01246	0.7
78.95731	5.9
78.96234	1.7
84.95409	0.5
85.02852	0.5
89.02322	1.0
97.02814	1.0
101.02316	0.7
101.02883	0.5
104.44518	0.4
104.83185	0.4
109.06393	3.7
110.98325	6.0
110.99142	0.8
111.07964	0.7
113.02300	0.6
113.09550	0.7
118.87982	0.5
121.10048	0.5
135.08009	0.6
135.97032	0.5
152.24110	0.4
152.99416	0.9
163.11050	2.2
167.01118	2.7
171.10109	1.4
177.12749	0.5
179.14305	1.2
181.12177	1.3
185.02176	6.7
195.13905	8.6
196.14462	1.1
205.12216	1.0
207.10249	13.2
208.10529	0.6
211.13350	0.8
223.13358	7.3
224.13896	0.6
225.09178	0.8
225.11287	8.8
228.13496	0.7
253.09171	2.0
256.13077	1.5
275.20163	6.8
276.20325	0.7
293.21201	100.0
294.21521	6.8
461.23416	25.5
462.23587	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	461.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18689	0.7
57.03432	2.5
57.24469	0.7
59.01368	4.1
59.34457	0.7
61.98817	1.0
63.64088	0.7
69.70068	3.0
69.70478	1.3
73.31828	0.7
78.95898	7.3
83.04982	0.7
84.80907	0.9
94.92528	0.9
96.95985	2.2
109.06590	2.6
110.98527	5.6
113.09714	14.8
135.11801	0.8
139.11256	2.2
144.89569	0.8
147.50861	0.7
149.09705	1.6
152.99544	0.9
157.81137	0.8
163.11256	1.1
167.01118	2.5
167.10796	2.1
171.10251	2.0
177.12813	1.3
179.10779	1.9
185.02199	4.5
190.83582	0.9
195.13899	2.0
207.10323	4.4
225.11282	2.6
249.22266	1.8
257.02731	0.7
275.20062	5.0
293.21201	100.0
294.21478	8.5
461.23355	14.7
462.23416	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64716	0.9
52.61803	0.9
55.01878	1.7
57.03445	1.2
59.01377	62.2
61.98827	4.8
69.46598	5.4
69.47021	1.8
71.01383	22.0
72.99299	1.4
73.02950	19.0
78.65070	0.9
83.01362	5.2
85.02921	6.7
87.00877	3.7
89.02435	10.3
91.04005	3.5
95.01379	1.1
99.00882	3.8
101.02436	18.1
109.06566	1.5
113.02446	10.6
119.03471	2.7
122.79925	1.0
125.02456	1.2
137.62791	1.1
161.04536	1.0
171.10277	2.4
173.04512	2.5
175.02348	1.1
195.13872	14.9
197.04608	1.1
207.10229	3.4
211.13358	1.1
213.14873	5.4
225.11403	1.6
257.12955	1.4
327.21783	10.8
357.19122	11.0
375.20187	30.2
376.20468	1.7
417.21262	100.0
418.21478	9.7
461.19266	1.5
462.26819	1.9
475.81784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04695	0.4
57.03439	1.2
59.01374	39.9
60.01709	0.5
60.99307	0.8
67.01888	5.7
69.03440	0.8
69.40037	0.7
69.40437	2.7
71.01374	4.1
80.14056	0.4
81.03462	0.9
83.05026	1.9
85.02949	0.9
85.92330	0.5
87.00849	0.7
89.45934	0.4
91.03070	0.4
93.03453	32.3
94.03783	0.9
99.00845	0.6
99.04510	1.1
109.02917	0.7
109.06615	0.5
111.00876	0.8
111.04522	6.3
113.02460	0.6
127.04037	0.6
137.02437	7.0
155.03493	7.0
163.03044	0.4
165.12801	0.7
173.04544	100.0
174.04886	2.8
191.05588	6.4
198.03258	0.5
207.10254	0.6
207.13933	1.3
209.11830	4.5
210.12025	0.6
225.11298	0.6
225.14861	3.5
227.12877	24.4
228.13228	1.2
233.06595	1.6
241.01332	0.4
251.12827	0.8
269.13934	6.8
270.01755	1.1
271.02338	0.8
287.14978	90.2
288.15244	4.6
299.02008	0.9
340.41345	0.4
443.19272	0.6
450.75162	0.5
461.06915	1.7
461.20251	47.5
462.20508	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
61.83309	0.2
61.98817	1.3
70.02776	0.9
70.03197	0.5
70.52385	0.3
71.01378	0.9
78.95898	55.8
80.42230	0.2
81.03457	0.4
83.05016	0.3
85.02963	0.3
89.02431	0.8
96.96017	0.4
96.96961	6.0
97.02939	0.9
101.02432	0.9
108.09533	0.3
109.06580	5.0
111.86008	0.2
119.03553	0.4
121.06557	0.5
129.53247	0.2
135.08134	0.5
142.02649	0.4
149.48917	0.2
150.98003	1.7
152.99576	100.0
153.99921	1.3
159.04500	0.3
161.04553	0.3
161.09647	0.3
163.11279	3.1
164.11638	0.3
171.00633	4.7
181.12355	0.8
189.09190	0.4
193.28468	0.2
207.10249	14.5
208.10648	0.6
209.11858	0.3
225.11311	9.5
226.11641	0.4
253.09233	3.1
299.15018	0.3
364.13123	0.3
461.19739	21.9
462.20383	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	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92648	0.3
57.03442	1.2
59.01375	71.8
60.01725	0.9
60.31008	0.4
61.98826	1.0
67.01881	1.3
69.50935	0.9
69.51342	2.2
71.01376	2.6
72.97533	1.3
73.02949	1.3
81.03478	0.7
83.05022	1.2
85.02943	1.5
87.00882	1.1
89.02456	1.2
93.03455	8.0
95.05037	0.5
98.20595	0.8
99.04515	2.2
101.02448	1.1
109.02914	0.4
109.06588	1.5
111.04510	4.7
113.02463	0.4
118.98057	0.4
119.05030	1.0
127.04031	1.0
129.01953	0.8
134.97589	0.4
137.02426	1.4
151.00374	0.6
155.03490	6.2
161.04588	0.6
163.03998	1.3
163.11299	0.8
165.12839	1.8
167.10780	0.6
173.04533	29.4
174.04884	0.5
182.63312	0.4
183.14003	0.4
189.12939	0.4
191.05597	7.4
207.10243	2.1
207.12010	0.3
207.12341	0.4
207.13925	2.8
209.11812	8.5
214.02681	0.4
225.11336	4.4
225.14874	5.1
227.12859	40.2
228.13219	2.1
233.06647	1.0
241.01416	3.9
242.02107	1.7
243.02966	0.5
245.00938	1.3
251.12895	1.9
253.09303	0.7
269.13882	8.7
269.18576	0.4
270.01703	3.8
270.14429	0.6
271.02399	3.6
282.01614	0.5
285.04077	1.6
287.14969	100.0
288.15256	5.6
298.01132	1.4
299.01917	4.9
300.02444	0.5
417.17673	1.2
461.07153	6.1
461.20270	53.5
462.20648	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	461.1086
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
53.05649	0.4
59.01136	0.5
59.01377	6.1
65.00332	0.5
69.56868	2.7
71.01369	1.6
73.02932	0.5
74.99083	0.9
83.01398	0.8
85.02961	0.9
89.02432	0.6
93.03481	0.8
97.02962	0.5
101.02436	1.6
107.01374	1.1
109.06566	1.3
111.04483	0.6
111.75325	0.4
113.02467	0.5
118.98065	1.0
125.02460	1.1
133.02921	0.5
136.99150	1.2
151.00372	2.9
151.83569	0.4
157.02846	0.4
163.00403	0.9
163.07669	0.6
163.11197	0.9
171.04480	0.8
173.04558	1.0
179.10847	0.4
180.66129	0.5
187.03967	0.9
191.05676	0.7
199.04021	4.8
201.01913	2.1
203.03500	0.7
204.51305	0.5
207.10260	5.3
211.04131	0.4
215.03458	4.1
223.09767	0.5
225.01865	1.0
225.11305	3.9
226.02682	0.7
227.03427	5.3
229.01410	0.9
241.01520	0.5
242.02171	10.7
243.02945	44.1
244.03265	2.3
253.09332	1.2
255.02969	3.7
257.04541	11.0
258.04803	0.5
270.01651	11.3
271.02438	48.3
272.02786	3.3
285.04019	22.7
286.04718	7.4
287.05408	0.7
299.01968	15.0
300.02701	11.8
301.02966	0.8
314.04291	52.9
315.05038	35.8
316.05386	1.6
357.06247	0.7
461.10855	100.0
461.19617	4.9
462.11136	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	459.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75567	0.6
54.72229	0.6
57.03432	1.0
59.01370	3.8
60.40831	0.7
61.98816	2.5
71.01370	1.4
71.62427	0.9
78.95926	1.4
83.05017	1.4
85.06582	19.7
96.96008	9.5
96.96960	1.8
101.02448	0.9
104.46227	0.7
111.04504	9.0
113.02432	1.1
116.92842	1.4
116.97268	1.4
128.03519	2.1
129.05571	100.0
130.05910	1.8
133.02881	1.0
135.04506	2.1
137.02448	0.7
161.02461	1.3
166.59193	0.7
166.98393	0.7
173.04517	0.9
177.01918	14.3
191.05638	1.5
297.09747	1.7
339.07217	1.3
390.84494	0.7
397.22275	0.7
459.15100	1.6
459.21088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12777	1.2
55.01855	1.8
57.03436	1.6
58.00586	2.4
58.42794	1.1
59.01377	100.0
69.03443	2.1
69.63670	8.3
70.06718	1.1
71.01379	44.4
72.99287	2.0
73.02945	65.3
75.89680	1.0
78.66724	1.1
79.59034	1.1
81.03424	1.3
82.83560	1.1
83.01388	17.6
85.02943	7.5
87.00862	2.2
89.02443	14.4
93.03458	2.8
95.01396	1.4
99.00864	1.2
101.02438	62.7
105.99763	1.1
113.02452	13.2
114.37886	1.3
116.95461	1.4
119.03500	5.7
125.02399	1.8
131.03481	4.4
143.03493	4.3
149.04535	4.0
161.04572	12.8
173.04509	5.1
191.05600	5.4
193.12323	8.9
203.05774	1.6
211.13293	3.2
355.17664	1.8
359.16605	1.2
373.18576	9.7
415.19705	49.2
416.20016	3.5
459.22272	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	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01700	0.9
61.98816	0.4
65.53339	0.3
67.01878	0.3
70.74335	0.4
70.74683	0.5
71.01376	4.7
72.97548	0.7
73.02946	1.2
75.39472	0.3
77.43195	0.3
80.33543	0.3
83.01405	0.3
85.02950	2.3
87.00890	0.5
89.02435	0.5
93.03446	1.5
95.01428	0.4
96.96011	0.7
99.00906	0.5
101.02443	2.2
111.04533	0.9
111.08175	1.0
113.02439	1.7
113.15102	0.3
118.98122	0.5
125.02519	0.4
137.02446	0.3
139.07634	7.1
149.37692	0.3
158.85406	0.3
159.03003	0.3
161.04515	2.6
164.02640	0.2
173.04530	5.1
191.05623	1.5
195.10310	0.7
203.05550	0.7
285.13586	1.6
285.16559	0.3
339.14359	1.3
357.15527	2.7
399.16537	5.8
459.13431	0.5
459.18655	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	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74053	0.9
55.01862	2.6
57.03440	2.4
59.01377	100.0
60.01674	1.0
61.98830	1.2
69.63992	6.5
71.01382	22.6
73.02938	12.9
83.01388	4.5
85.02951	12.8
87.00861	2.8
87.05649	1.1
89.02436	8.3
93.03458	2.0
95.01351	1.8
97.02946	1.1
98.20537	1.9
99.00881	3.4
101.02441	20.4
113.02425	12.6
118.98083	1.9
119.03518	2.3
134.79492	0.9
138.59822	1.0
159.02998	1.8
161.04535	2.7
173.04533	3.3
191.05583	3.9
192.88081	1.1
193.12291	1.2
211.13348	1.4
211.55850	1.0
255.10266	1.6
355.17673	6.2
373.18652	24.7
373.22739	0.9
374.19025	1.9
415.19669	99.8
416.19919	7.6
459.22336	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	459.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.45441	0.3
60.01702	0.7
61.61209	0.3
61.98824	0.6
65.73071	0.4
71.01373	2.3
73.02943	0.7
74.45636	0.3
80.68353	0.3
85.02958	1.0
87.00858	0.4
89.02444	0.9
93.03465	1.0
98.19864	0.6
99.00949	0.3
101.02452	1.5
108.80405	0.3
111.04546	0.6
111.17667	0.3
113.02470	1.2
118.07661	0.4
118.98018	0.3
128.50275	0.3
155.03578	0.5
161.04578	0.9
173.04541	3.1
176.69580	0.3
177.09288	1.0
180.26723	0.4
191.05565	2.1
195.10181	0.4
218.52307	0.4
241.14505	0.8
249.93996	0.3
267.93576	0.4
285.13434	3.7
339.14532	1.1
357.15643	1.9
399.16568	4.6
459.18680	3.9
459.23831	0.4
460.18890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29196	0.4
55.24510	0.3
57.03447	0.4
59.01377	100.0
59.65538	0.3
60.01713	0.9
61.98825	0.6
69.50776	1.3
69.51192	0.6
71.01377	4.8
73.02945	2.2
81.03477	0.5
83.01373	0.7
85.02945	2.7
87.00899	0.7
89.02439	1.9
93.03450	1.6
96.96024	1.1
97.44515	0.4
99.00896	0.7
99.04535	0.6
101.02446	3.1
104.03539	0.3
113.02446	2.2
119.03538	0.5
121.03101	0.3
128.03546	1.3
130.08768	0.6
135.04532	0.3
137.09787	0.4
159.86731	0.4
161.04559	3.7
165.38942	0.3
173.04562	2.8
177.09215	0.7
179.05641	0.3
180.10382	0.3
191.05586	7.0
197.13092	0.4
215.46938	0.4
237.07680	0.6
241.11942	0.7
285.13504	0.7
285.17111	0.4
339.14563	1.2
357.15738	1.3
399.16330	4.3
401.31775	0.3
459.18515	5.0
459.23590	0.7
460.19107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32280	0.3
59.01365	1.0
66.57790	0.3
70.41685	0.7
70.42040	0.9
71.01389	0.6
73.02942	40.3
76.96503	0.4
89.02441	0.7
92.95994	2.2
96.48962	0.3
99.00867	5.0
100.06654	0.3
116.92833	2.3
116.95967	0.5
116.97242	0.9
117.01930	100.0
118.02268	1.4
118.05093	0.6
161.10355	0.3
176.98083	1.1
190.18800	0.4
200.34816	0.4
237.00180	0.9
288.07193	0.5
341.10773	0.8
399.05704	1.0
468.71918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01374	100.0
60.01724	1.0
61.98832	0.5
62.19156	0.3
66.22393	0.3
67.01910	0.3
69.03445	0.4
69.43145	2.1
71.01379	5.0
71.05094	0.3
72.00169	0.3
72.05564	0.3
73.02946	1.9
75.00887	0.3
79.93975	0.2
81.03462	0.5
83.01380	0.5
85.02954	2.4
85.78384	0.2
87.00875	0.7
89.02439	1.9
92.37469	0.2
93.03432	1.6
95.01406	0.3
96.95979	1.6
99.00849	0.4
99.04536	0.6
101.02433	2.8
104.03564	0.4
110.06984	0.2
111.04525	0.5
112.57710	0.2
113.02457	1.8
118.98103	0.4
119.03520	0.7
125.02425	0.3
128.03503	1.7
128.72330	0.3
130.08803	0.3
134.81590	0.3
137.09734	0.6
141.75124	0.3
143.03496	0.3
161.04539	3.2
173.04533	2.6
177.09195	0.6
179.05576	0.3
191.05586	6.3
192.05951	0.4
197.13004	0.5
237.07675	0.6
241.12029	1.3
285.13550	0.8
339.14478	1.2
350.43491	0.3
357.05963	0.3
357.15591	0.9
372.54889	0.3
399.16232	4.3
399.20151	0.6
429.18112	0.3
441.16943	0.3
459.18655	4.7
459.24438	0.7
460.19080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56549	0.8
53.55592	0.8
54.14163	0.8
59.01358	2.3
61.98823	100.0
63.91476	0.7
71.29946	1.1
85.33101	0.9
85.50854	0.8
90.31761	0.8
92.59315	0.8
102.80975	0.8
121.33420	1.0
144.53514	1.0
225.61815	1.0
263.40390	0.9
308.85699	0.8
455.77008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56326	0.5
59.01378	5.5
69.35970	1.5
69.36384	3.1
71.01389	4.2
72.89036	0.5
73.02942	45.9
74.03271	1.1
78.63604	0.6
89.02444	6.5
89.19586	0.5
92.95985	0.7
99.00849	4.0
101.02451	2.9
113.02448	1.7
116.92835	1.4
117.01930	100.0
118.02312	1.5
118.05102	1.9
119.03494	1.9
128.52124	0.5
161.04469	0.9
169.02069	0.6
179.05632	2.7
181.80453	0.6
341.10803	9.6
342.11145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60349	4.2
59.01380	56.4
69.55801	16.3
69.56231	14.7
71.01372	41.7
89.02435	62.9
101.02400	15.2
113.02436	13.5
119.03516	6.2
161.04471	6.0
179.05540	23.4
277.21671	100.0
278.22189	5.7
384.99829	4.7
439.24878	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	457.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01374	100.0
60.01712	0.6
61.98822	1.5
64.47015	0.3
65.10923	0.3
67.01875	0.7
71.01377	6.0
71.62592	0.5
72.99293	0.5
73.02951	2.3
78.95892	0.5
83.01393	0.7
83.05060	0.5
85.02948	3.3
87.00852	1.5
89.02419	2.5
93.03451	4.0
95.01411	0.6
96.96033	1.0
97.06647	0.3
99.00887	1.0
99.04552	0.3
101.02425	4.2
101.02982	0.4
111.00900	0.4
111.04508	1.0
113.02460	2.2
118.98077	0.4
119.03520	0.7
119.66525	0.3
121.02953	0.3
125.02460	0.8
126.28046	0.3
127.04048	0.3
135.04526	0.7
137.02440	0.6
143.03532	0.5
151.00377	0.4
155.03531	0.6
160.01593	0.4
161.04518	1.8
168.00719	0.5
173.04527	10.8
174.04820	0.4
175.04082	0.4
179.03468	0.5
184.04840	0.3
191.05582	7.7
192.05994	0.7
193.05103	0.4
209.11861	0.9
210.12167	0.6
211.12370	0.4
239.12967	0.4
252.05995	0.3
269.10416	0.8
283.11957	0.6
283.15598	0.8
287.63593	0.4
311.01849	0.4
377.18271	0.4
384.04822	0.5
397.22009	0.4
403.14651	0.3
403.19952	0.3
415.16245	1.3
415.23462	4.0
457.07779	0.4
457.17294	1.1
457.25827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.80610	0.3
58.00583	0.3
59.01377	100.0
60.01722	0.9
61.98833	1.1
64.88901	0.3
67.01907	0.4
70.67141	0.9
71.01379	9.4
71.01758	0.6
72.99306	0.6
73.02945	1.9
82.75625	0.3
83.01391	0.8
83.05058	0.8
85.02941	3.7
87.00892	1.0
89.02438	7.8
89.21597	0.3
93.03452	3.6
95.01403	1.1
96.96013	0.7
97.06620	0.9
98.20560	0.3
99.00903	1.0
101.02436	7.1
101.03070	0.5
106.73099	0.3
109.02940	0.3
111.04480	0.6
113.02438	3.4
119.03507	4.6
125.02444	0.5
127.04012	0.3
130.78770	0.3
131.03491	0.5
133.02919	0.4
134.03812	0.3
135.04539	0.6
137.02481	0.5
143.03522	1.0
149.04486	0.4
155.03491	0.4
155.74762	0.3
159.02921	0.6
161.02463	0.5
161.04553	5.3
173.04532	6.9
179.03575	0.3
179.04156	0.4
179.05585	2.3
191.05597	9.0
192.05884	0.4
217.00429	0.6
217.15939	0.5
238.17215	0.3
277.18118	0.9
397.22305	7.9
398.22714	0.9
408.49310	0.3
415.23132	0.7
441.21201	0.4
448.14197	0.3
457.15274	0.9
457.24292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01375	100.0
59.29195	0.3
60.01711	1.1
61.98833	3.0
67.01865	0.4
68.93917	0.3
71.01376	11.2
71.63865	0.6
72.99304	0.9
73.02928	1.8
78.40629	0.4
81.03449	0.4
83.01404	1.1
83.38931	0.5
85.02938	4.0
87.00892	1.4
89.02442	9.5
93.03452	3.1
94.03749	0.4
95.01361	0.8
97.02968	0.5
97.06583	0.6
99.00913	1.0
101.02426	7.6
103.95663	0.4
104.73525	0.4
109.02972	0.5
111.00941	0.6
111.04463	0.4
113.02445	5.1
117.01952	0.5
119.03489	5.6
131.03500	0.6
133.02939	0.4
134.61581	0.3
135.04501	0.9
137.02470	0.8
143.03461	1.8
159.03015	0.5
161.04532	6.6
173.04524	5.0
173.46964	0.4
179.05669	2.1
191.05597	8.1
192.05992	0.5
216.78162	0.3
217.00291	0.8
217.15903	0.9
227.80600	0.4
229.08708	0.5
277.17923	0.4
292.31259	0.4
396.05417	0.4
397.22263	10.3
398.22906	0.8
412.26865	0.4
415.23428	1.1
457.17270	0.5
457.24414	2.2
483.07806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
56.56939	0.2
56.92254	0.2
57.03434	0.5
59.01376	100.0
60.01715	0.9
61.98835	0.6
69.03431	0.2
69.70412	1.1
71.01377	3.4
72.99321	0.3
73.02943	0.8
74.70164	0.2
83.01416	0.3
85.02948	1.3
87.00884	0.3
89.02445	1.7
93.03465	0.3
95.01421	0.3
96.96024	0.8
98.19879	0.4
99.00938	0.2
101.02441	2.1
113.02441	1.6
114.01998	0.2
119.03536	0.8
119.04958	0.4
125.02483	0.2
128.03600	0.4
143.03516	0.3
159.86363	0.2
161.04594	0.8
173.04555	1.0
179.05635	0.2
191.05605	1.9
215.12978	0.2
215.91113	0.2
238.93462	0.2
309.14664	0.4
313.07214	0.3
330.89304	0.2
397.22363	0.5
415.23203	2.0
421.20706	1.6
440.21628	0.4
457.11456	0.5
457.18637	0.2
457.24808	0.8
458.25513	0.2
459.22144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62154	0.8
57.03434	2.1
59.01373	100.0
61.98811	1.2
69.17625	0.8
71.01370	13.0
71.63234	1.0
73.02948	5.4
83.01369	1.6
85.02947	6.1
87.00877	2.0
89.02457	4.5
89.20850	0.8
93.03458	1.1
95.01369	1.1
95.54766	0.8
99.00870	1.0
101.02454	6.2
101.96121	0.8
113.02415	5.6
119.03449	1.9
133.27509	0.9
161.04512	4.8
173.04498	5.7
179.05641	1.5
191.05592	4.2
197.11893	1.2
214.79390	0.8
357.93799	0.8
470.34332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02873	0.5
54.93465	0.5
65.97823	0.5
71.58701	0.9
76.99681	0.6
84.01098	0.4
103.03312	0.5
121.02917	0.5
196.19598	0.6
234.57892	0.6
306.34357	0.5
314.50699	0.5
398.72678	0.6
455.35254	100.0
456.35611	14.7
456.42130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3527
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.63496	0.4
55.21314	0.4
57.03433	1.3
59.01371	0.4
60.11838	0.4
64.25854	0.4
71.62962	0.4
77.48899	0.4
117.03460	0.6
130.77731	0.4
143.14374	0.4
185.89836	0.4
198.94336	0.4
254.19568	0.4
415.49713	0.4
421.30978	0.5
437.34406	0.5
455.35269	100.0
456.35617	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	457.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47858	0.5
55.01859	1.2
57.03447	1.1
58.00586	1.0
58.19031	0.5
59.01371	85.5
60.01682	0.6
61.98843	0.8
62.31436	0.5
64.48310	0.5
69.03445	1.0
70.43424	0.5
71.01375	39.0
72.99296	1.8
73.02940	39.9
81.03446	1.1
83.01379	5.8
85.02944	6.7
86.37981	0.5
87.00884	1.5
89.02435	38.2
93.03430	2.5
95.01358	2.4
96.95970	1.2
97.02956	0.8
99.00867	100.0
100.01196	1.2
101.02432	23.6
108.42928	0.6
109.02934	0.7
111.00860	0.6
111.04535	0.7
113.02436	17.0
119.03483	4.9
123.29497	0.5
125.02419	4.0
127.03979	0.9
131.03487	13.0
143.03471	4.2
149.04533	35.2
153.01920	1.3
153.55710	0.5
155.03471	3.5
161.04536	10.6
173.04495	6.6
179.05539	0.8
185.83913	0.5
189.99332	0.6
191.05585	48.9
192.05914	1.5
203.05574	16.7
204.05978	0.8
221.06509	0.6
233.06628	4.0
283.15475	0.7
321.64304	0.6
415.16052	8.3
415.21716	1.1
457.16995	18.2
458.17221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01698	0.6
61.98818	0.9
69.72140	1.1
69.72555	2.4
74.63185	0.4
113.03834	0.5
130.91006	0.5
251.63655	0.5
277.21692	18.5
278.22180	1.4
356.66339	0.5
395.53613	0.5
455.35477	5.9
456.35736	0.7
456.50677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2648
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01863	0.8
57.03427	0.9
58.00586	1.2
59.01377	34.5
61.98806	1.7
69.39650	7.0
71.01382	17.7
72.99297	2.3
73.02916	1.3
74.37569	0.8
83.01344	1.1
85.02947	5.4
87.00896	0.8
89.02437	16.2
95.01373	1.6
95.04974	0.9
96.97039	1.1
101.02449	9.4
113.02461	5.0
119.03490	5.1
121.02942	1.2
143.79262	0.9
164.59549	0.9
171.10124	1.1
179.14467	1.1
209.11823	0.9
275.20151	3.3
293.21216	23.8
294.21350	1.0
294.32895	0.8
300.15543	0.9
405.52722	0.8
449.81995	0.9
455.26471	100.0
455.34647	3.1
456.26920	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	455.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03447	1.4
58.00563	0.8
59.01376	100.0
60.01704	1.2
61.98817	2.9
67.01901	0.5
69.03458	1.1
69.42828	3.6
69.43234	1.1
71.01377	32.4
72.01735	0.5
72.99314	1.8
73.02943	28.7
75.00886	0.9
81.24782	0.5
83.01386	8.8
85.02942	9.2
87.00891	1.7
89.02443	10.6
93.03461	2.3
95.01393	1.6
96.96017	1.8
96.96943	0.7
97.02939	0.6
97.06564	0.9
99.00910	1.6
101.02436	28.7
102.02798	0.7
102.27695	0.6
111.00818	0.8
111.04532	0.7
111.08171	0.8
113.02435	12.2
119.03484	3.7
121.06599	0.8
121.10216	0.9
125.02452	1.2
131.03525	2.6
133.06691	0.7
137.02498	1.1
141.09189	3.8
143.03516	2.1
148.23253	0.8
149.04567	1.5
155.03502	1.0
161.04523	6.1
163.11230	0.8
173.04533	4.4
191.05617	4.8
195.71271	0.6
205.16057	0.8
209.11765	0.6
215.14482	1.8
220.72301	0.6
233.15434	40.2
234.15665	2.9
246.68109	0.6
251.16620	1.0
265.22589	0.6
282.63080	0.6
327.34808	0.6
377.19681	0.9
395.20697	7.9
396.20996	1.0
413.21753	8.3
414.21948	0.7
455.23016	2.0
455.35202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03437	0.8
58.00593	0.6
59.01375	100.0
60.01715	1.4
61.98822	1.7
67.01892	0.5
68.99545	0.4
69.03454	0.7
69.43012	3.2
71.01379	19.2
72.01731	0.4
72.99308	1.1
73.02941	16.2
75.00871	0.5
75.07944	0.3
81.03465	0.4
82.51116	0.3
83.01373	5.6
83.05020	0.7
85.02948	4.8
87.00891	0.9
89.02437	8.0
90.55344	0.3
91.24190	0.3
93.03458	1.8
95.01387	1.3
96.96011	9.8
97.02959	0.7
99.00893	1.3
99.04530	0.5
101.02434	18.4
109.02901	0.4
109.06584	0.3
113.02438	12.3
114.02779	0.6
115.07901	0.4
119.03503	2.7
121.02982	0.7
125.02450	0.7
131.03506	1.6
135.04550	1.0
143.03513	1.3
149.04544	1.5
151.00339	0.4
155.03522	0.7
161.04535	5.2
171.12335	0.3
173.04578	3.5
179.03621	0.6
179.05598	0.7
187.11395	0.5
191.05566	4.3
233.15378	2.3
236.63345	0.3
251.16452	1.7
257.08212	0.5
262.78949	0.3
269.04523	0.5
395.20587	2.0
413.21747	2.6
455.18958	0.6
455.35336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03434	2.1
58.00587	1.0
59.01374	100.0
60.01703	0.7
61.98817	1.4
62.18589	0.4
69.03450	1.0
71.01376	21.4
71.60120	0.4
71.63151	0.6
72.99307	1.4
73.02942	9.9
75.00861	1.0
78.95919	0.4
81.03446	0.7
83.01363	3.2
83.05031	1.5
85.02942	6.1
87.00879	1.4
89.02435	10.1
93.03465	0.6
95.01403	1.4
95.05034	2.5
96.96025	0.6
97.02967	1.4
99.00876	4.0
99.04556	0.6
101.02430	15.7
108.04701	0.4
109.02956	0.9
111.00883	0.7
111.04515	0.5
112.01646	0.8
113.02436	6.8
115.04014	2.4
119.03490	6.0
121.03003	0.4
125.02410	1.1
127.04077	0.7
131.03482	0.7
143.03497	1.5
149.04619	0.7
157.05040	2.1
161.04546	4.5
171.10252	0.6
173.04544	1.2
179.05626	2.2
189.13095	0.5
203.14427	1.8
209.11798	0.5
215.14462	3.3
219.13925	1.6
221.15414	0.5
231.14143	0.6
233.15486	0.8
243.75804	0.5
245.15631	0.6
251.16479	3.4
269.17740	0.5
287.16574	0.5
293.17578	1.4
311.18622	1.1
325.18549	0.6
335.18582	2.2
347.18799	1.7
395.20685	1.9
413.21738	14.6
414.21829	1.0
455.21930	0.7
455.35425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03442	1.1
58.00585	1.2
59.01376	100.0
60.01713	0.9
60.44467	0.4
65.18590	0.4
68.99801	0.8
69.03447	1.2
69.65659	1.1
69.66069	1.0
71.01378	22.6
72.01711	0.4
72.99311	1.3
73.02942	13.5
73.03335	0.7
75.00870	0.7
81.03458	0.5
83.01394	3.9
83.05019	0.5
85.02943	6.1
87.00883	1.6
89.02438	11.4
90.70889	0.4
93.03472	1.0
95.01402	1.2
97.02957	1.3
99.00860	3.5
101.02439	17.2
109.02990	0.5
109.06561	0.5
112.01688	0.8
113.02447	7.4
115.04025	1.6
116.87699	0.4
119.03497	7.8
119.04311	0.6
125.02443	0.8
127.04123	0.5
128.90157	0.5
131.03543	1.1
135.08133	0.9
137.02472	0.7
143.03522	1.5
147.08150	3.7
149.04538	0.8
155.03525	0.6
157.05090	1.6
161.04570	3.9
171.10242	0.7
177.12831	0.5
179.05638	1.7
191.05637	0.5
203.05606	0.5
203.14418	2.4
209.11853	0.7
215.14366	3.8
219.13826	0.9
221.15533	1.4
233.15486	3.5
245.15546	1.3
251.16577	1.3
277.73441	0.4
287.16559	0.6
287.68637	0.4
291.19833	0.5
293.17813	0.5
335.18823	1.4
347.18655	1.4
395.21030	0.9
413.21799	8.9
413.26956	0.6
414.22034	0.7
455.35474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54703	0.4
57.03446	0.8
59.01375	12.2
61.98825	26.1
71.01382	4.3
73.02936	2.1
78.95898	9.8
80.02687	1.8
81.03467	1.8
83.01354	1.0
83.05022	9.1
84.02164	1.6
85.02940	3.1
87.00858	0.9
89.02457	1.6
93.03433	2.3
95.05008	0.9
96.96001	13.2
96.96964	1.0
101.02438	3.3
109.02952	1.6
113.02438	2.2
125.02454	0.7
125.06055	1.4
125.09679	0.5
131.03429	1.3
135.08138	1.1
135.50133	0.5
143.03511	0.5
151.00375	1.8
152.99579	9.2
153.01898	1.0
161.02380	0.7
161.04556	0.9
163.11284	6.8
165.12819	4.3
171.00607	1.5
173.04552	5.6
174.04900	0.5
181.12312	0.8
191.05576	5.0
191.10757	1.9
193.94571	0.5
209.11806	100.0
210.12123	4.6
227.03197	0.8
227.12869	20.1
228.13229	0.6
245.04277	1.9
263.15048	2.4
275.02545	0.5
300.53143	0.6
314.53900	0.6
373.55313	0.6
381.55524	0.8
395.19174	10.3
396.19556	0.6
424.17249	1.8
444.68048	0.5
455.16769	55.3
456.17859	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	455.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87535	0.9
55.01883	1.0
58.00591	1.8
59.01373	42.7
61.98819	2.8
65.72192	0.7
68.26694	0.8
69.03449	1.7
71.01377	39.5
71.62714	1.0
72.99304	2.2
73.02946	4.3
75.00849	0.9
78.95899	83.9
81.03461	1.1
83.01394	2.1
85.02942	7.3
87.00869	2.6
88.98812	0.9
89.02436	56.2
90.02702	0.8
93.03467	2.8
96.96059	6.4
96.96954	100.0
97.02938	2.8
101.02441	15.1
101.06078	45.2
102.02762	0.8
102.06414	0.8
109.02912	1.2
111.00855	1.3
111.04531	1.3
113.02437	6.4
116.92874	1.1
118.98073	2.3
119.03485	2.1
121.02944	1.3
125.02454	9.1
131.03491	13.5
137.02449	2.8
138.98061	3.9
139.03934	0.8
143.03513	1.1
149.04539	25.5
151.00317	0.8
161.02420	1.3
161.04514	0.9
173.04541	4.6
176.04749	0.9
179.03456	0.8
184.08720	1.6
191.05579	10.6
191.07112	1.5
198.06613	1.3
199.00113	12.0
212.08247	5.6
213.01678	11.0
233.06549	1.5
241.07266	3.5
251.09247	2.3
255.08803	6.1
257.23022	0.8
293.08789	40.4
294.09061	2.0
299.94672	0.8
311.09277	0.7
336.26498	0.8
369.61438	0.8
395.15613	3.1
395.22778	1.0
417.14041	3.4
455.09753	30.6
455.17178	3.9
456.10205	2.4
461.69852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.98825	100.0
69.26042	2.0
69.26461	0.7
85.02957	0.3
100.10873	0.2
209.11798	0.3
259.98071	0.3
278.22537	0.3
359.06723	0.3
359.47449	0.3
455.35049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0969
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
59.01376	5.4
61.17577	0.3
61.98830	0.5
69.39590	3.0
71.01374	2.9
73.02965	0.5
78.95901	84.2
85.02963	0.7
89.02443	4.9
93.03454	0.5
96.96958	100.0
98.20715	0.4
101.02446	1.0
101.06069	3.2
108.20998	0.4
113.02441	0.8
118.98090	0.7
125.02460	1.0
131.03496	1.3
138.98012	3.2
144.08148	0.5
149.04555	2.5
161.02408	0.4
173.04578	0.7
184.08759	0.7
191.05603	1.9
198.06708	1.4
199.00121	12.5
210.13397	0.4
212.08310	5.0
213.01688	11.3
213.03743	0.7
241.07277	4.8
255.08809	5.9
293.08789	3.3
356.30484	0.4
357.64825	0.3
455.09720	31.6
455.16656	1.2
456.09976	2.9
456.16089	0.4
458.83072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35367	0.5
61.98820	1.7
67.01536	0.9
67.01885	9.5
67.36681	0.5
69.90425	2.8
70.17850	0.5
71.01386	0.7
73.02941	1.6
78.95904	7.4
81.03458	1.1
83.01389	0.8
85.02937	0.7
96.95999	3.0
96.96941	0.8
99.00875	0.8
99.04501	5.0
110.98560	5.5
111.00876	100.0
112.01216	2.4
112.98688	0.5
115.03979	2.7
117.05536	0.7
143.03494	45.8
144.03835	0.8
154.99863	0.9
161.02361	0.6
186.07712	0.6
187.06047	0.5
187.08099	0.6
187.10962	0.7
256.27588	0.6
315.07291	0.8
378.93353	0.7
453.33575	0.5
454.11105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50105	5.3
59.01375	44.7
61.98840	28.9
71.01389	8.8
71.63497	9.2
96.95998	8.1
109.02942	53.1
121.02966	6.4
145.02924	7.0
146.03745	12.2
147.04495	8.7
149.47746	5.3
158.03687	7.6
159.04471	16.6
160.68130	5.3
175.04005	18.1
179.03543	5.8
190.02744	11.0
207.16963	5.5
211.07585	8.5
239.07144	17.9
267.06580	100.0
268.07330	80.0
269.07953	7.6
269.34653	5.3
278.90579	5.1
311.05252	8.2
312.06366	7.6
365.13837	49.8
453.25455	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	453.301
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
61.98808	1.5
69.54280	4.7
73.63257	0.6
83.04995	1.1
101.00134	0.6
156.47209	0.6
372.49411	0.7
453.30035	100.0
454.30368	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	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	5.0
59.01371	46.3
60.45273	4.8
61.98819	19.2
62.95104	5.1
68.90978	4.4
69.48100	28.4
69.48508	12.3
88.98798	5.3
93.03467	6.1
96.96033	5.8
101.02389	6.3
102.49402	4.7
109.02964	58.2
120.76796	5.3
135.04521	5.9
146.03745	10.8
147.04530	12.6
149.07552	5.2
158.03682	6.6
159.04515	15.5
172.91422	5.9
173.04504	18.5
175.03952	26.7
190.02676	10.2
202.29195	5.4
211.07632	8.0
219.03166	5.6
225.14815	6.5
231.92004	5.1
239.07129	18.6
244.52875	6.1
250.06439	7.0
267.06598	100.0
268.07416	78.9
274.11365	14.5
365.13974	53.0
401.68506	6.0
453.33630	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	453.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03437	1.7
58.00593	4.0
58.88892	0.5
59.01374	80.9
60.01712	0.7
71.01379	49.3
72.01717	0.6
72.99312	3.3
73.02938	3.3
75.00868	0.7
78.95877	0.6
83.01373	3.8
85.02948	9.8
87.00871	2.9
89.02438	69.8
90.02773	0.8
93.03444	0.9
95.01367	3.6
95.05066	0.5
96.96004	1.1
99.00901	1.6
101.02435	31.8
102.02734	0.5
113.02444	22.5
119.03490	30.4
125.02428	0.9
125.06075	1.0
131.03474	3.8
136.05298	1.3
139.07668	1.0
143.03488	4.8
149.04556	2.6
149.06003	2.3
151.07631	7.6
152.07208	1.0
152.08424	16.5
153.08777	0.5
161.04556	6.6
164.08308	0.6
165.09200	2.5
166.06317	0.6
166.41052	0.5
170.05809	0.5
173.04512	1.2
179.05597	12.3
196.07465	0.8
203.10728	8.3
204.11308	0.9
215.10767	1.6
217.12276	5.5
218.13148	3.5
231.13861	0.6
249.14929	0.8
270.29218	0.5
273.18591	6.8
291.19623	5.3
301.16476	2.6
333.20776	1.0
411.20126	0.7
435.23853	2.0
438.22556	2.0
453.24872	100.0
454.25214	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	453.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.1
57.89130	0.3
58.00583	0.4
59.01376	21.1
61.98816	1.6
69.65238	0.3
71.01379	7.4
72.99286	0.6
73.02943	3.7
80.96500	0.4
83.01385	1.6
85.02946	2.0
87.00887	0.6
87.04511	0.5
89.02437	5.4
93.03443	1.5
93.04692	0.4
94.03769	0.7
95.01380	0.5
96.95998	1.0
99.00838	0.5
101.02438	5.3
103.04005	100.0
104.04340	1.5
109.02966	0.6
113.02446	3.0
119.03519	2.2
121.38273	0.4
131.03477	0.6
135.04550	0.5
143.03526	0.9
149.04547	0.5
151.07713	0.5
152.08412	2.4
161.04507	1.0
164.18564	0.4
173.04553	2.7
174.04973	0.6
179.05620	0.7
191.05634	1.0
203.10776	0.8
217.08748	0.4
217.12231	0.5
218.13208	0.4
249.14922	0.9
264.56293	0.4
273.18555	0.5
365.13675	0.9
453.25266	6.8
454.25516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.1
57.89130	0.3
58.00583	0.4
59.01376	21.1
61.98816	1.6
69.65238	0.3
71.01379	7.4
72.99286	0.6
73.02943	3.7
80.96500	0.4
83.01385	1.6
85.02946	2.0
87.00887	0.6
87.04511	0.5
89.02437	5.4
93.03443	1.5
93.04692	0.4
94.03769	0.7
95.01380	0.5
96.95998	1.0
99.00838	0.5
101.02438	5.3
103.04005	100.0
104.04340	1.5
109.02966	0.6
113.02446	3.0
119.03519	2.2
121.38273	0.4
131.03477	0.6
135.04550	0.5
143.03526	0.9
149.04547	0.5
151.07713	0.5
152.08412	2.4
161.04507	1.0
164.18564	0.4
173.04553	2.7
174.04973	0.6
179.05620	0.7
191.05634	1.0
203.10776	0.8
217.08748	0.4
217.12231	0.5
218.13208	0.4
249.14922	0.9
264.56293	0.4
273.18555	0.5
365.13675	0.9
453.25266	6.8
454.25516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2124
Annotation	Lemmonin B
Peak:m/z	Relative Intensity
50.79748	0.5
52.21004	0.5
55.01863	1.0
56.31829	0.6
57.03421	0.9
58.00569	1.1
59.01374	52.4
60.01698	0.8
61.98793	2.1
65.78999	0.6
67.01871	0.7
70.07709	0.6
71.01376	28.3
71.58923	0.9
72.01674	0.9
72.99276	2.0
73.02940	10.2
83.01376	3.9
85.02433	0.7
85.02940	9.7
85.23538	0.6
87.00841	1.7
89.02438	26.6
93.03455	3.5
94.03766	0.9
95.01364	1.1
96.95962	1.4
97.02918	1.2
101.02436	21.5
106.62240	0.6
109.02934	0.7
113.02452	12.2
119.03490	12.1
119.08639	1.5
121.02255	0.6
121.02946	6.7
125.02392	1.3
125.06009	0.7
127.03981	0.7
129.01851	0.6
131.03421	1.8
135.04518	0.9
139.07605	1.5
142.27080	0.6
143.03494	3.1
149.04510	1.0
149.06050	0.9
151.07649	3.4
152.08440	7.1
155.03496	0.7
161.04547	4.1
163.11234	1.5
165.09132	1.1
173.04509	4.8
174.04764	0.9
175.05020	0.7
179.05612	4.1
191.05589	1.8
203.05641	0.9
203.10774	4.5
215.10767	0.8
217.08730	0.7
217.12318	3.0
218.12993	2.0
229.77083	0.7
229.85472	0.7
231.13849	4.6
249.14920	100.0
250.15298	6.3
263.16470	3.8
273.18497	3.2
277.59369	0.6
291.15903	1.2
291.19638	3.1
301.16513	1.0
399.40860	0.6
411.20474	0.8
435.23981	0.8
438.22705	1.5
453.25006	51.9
454.25311	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	453.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99598	14.6
59.01096	0.8
59.01373	13.1
71.01376	13.5
71.63258	1.3
73.02943	3.6
77.14799	0.8
83.01375	1.5
83.25906	0.9
85.02940	5.8
87.00861	22.9
89.02428	4.3
93.03455	2.8
95.01373	1.6
101.02430	8.4
102.98587	82.6
103.98952	1.0
113.02418	3.9
119.03493	1.7
120.99635	3.8
135.04468	1.1
137.02342	0.9
139.11282	5.6
159.03032	1.2
161.04556	5.7
173.04510	5.3
179.05612	1.1
191.05603	2.0
191.98224	0.8
203.11032	2.0
205.07210	1.6
249.06125	18.1
251.03137	0.7
283.04898	100.0
284.05136	4.4
453.17984	11.3
454.17792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.8
59.01376	71.6
59.14439	1.4
61.42600	1.6
61.98825	8.7
62.61324	1.5
63.08794	1.3
69.03452	3.6
71.01379	72.3
71.62571	2.2
72.99283	3.1
73.02941	5.4
78.68253	1.3
78.95926	4.4
81.03450	1.4
83.01377	3.1
85.02946	11.2
87.00884	5.4
88.98811	4.4
89.02441	100.0
90.02743	2.4
93.03450	6.3
95.01363	2.4
96.95367	2.1
96.96004	41.6
96.96965	3.0
97.02949	5.8
98.95594	32.5
98.96441	5.1
99.00843	2.1
99.04515	84.9
99.92617	1.4
101.02441	21.8
111.00882	2.0
113.02436	12.1
118.98092	2.7
119.03502	5.1
120.99532	1.6
125.02435	19.2
126.30106	1.4
128.61719	1.6
131.03493	26.0
134.03636	1.7
135.04529	4.9
137.02429	19.2
149.04549	47.7
173.04523	4.8
179.03458	8.2
191.05574	19.3
192.99658	2.8
201.01707	1.8
233.06702	3.1
249.08815	2.9
293.08765	74.8
294.09283	1.8
391.00998	2.1
393.13901	5.4
415.43060	1.4
417.13855	23.4
418.13989	2.0
427.61499	1.6
453.19299	2.5
466.29242	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	453.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98825	4.1
71.01375	16.4
73.02934	10.7
74.02431	0.9
75.00871	0.8
75.51179	0.8
83.01359	5.2
85.02927	6.2
87.00880	2.6
89.02456	4.0
92.10823	0.9
93.03445	4.0
95.01371	1.2
96.96003	1.7
99.00880	1.2
101.02434	13.7
102.98582	3.5
111.04501	1.0
113.02444	6.8
119.03471	1.5
120.99644	2.2
131.03511	0.9
134.03674	1.4
134.24878	0.8
135.04477	0.9
137.02394	1.1
142.08580	0.8
143.03516	1.2
152.74060	0.8
153.09186	1.7
155.03528	1.3
155.75294	0.8
159.02953	0.8
161.04556	4.9
173.04541	6.4
179.10742	1.7
184.17317	0.8
191.05589	4.6
207.13945	1.3
214.83528	0.9
231.13904	1.8
234.12695	1.0
234.31374	0.9
249.14923	9.0
283.04837	4.3
331.17548	6.4
373.18613	2.6
453.21979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37169	0.3
59.01370	0.4
65.16996	0.3
65.20300	0.3
69.36866	2.8
78.95898	100.0
85.83823	0.3
89.02392	0.7
109.87578	0.4
110.89916	6.2
110.98523	97.6
191.05507	0.6
231.02847	0.3
329.05371	0.4
341.10812	0.7
453.10117	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	453.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01334	0.6
62.26792	0.3
64.85674	0.3
66.68999	0.3
71.01380	0.5
71.61424	0.4
72.99672	0.3
78.95897	100.0
83.47772	0.3
89.02462	0.5
101.02381	0.3
108.90182	3.2
110.89907	61.3
110.98519	99.7
111.98872	0.6
112.98747	0.4
133.51013	0.2
191.05630	0.5
341.10809	1.0
376.72363	0.3
377.08566	0.3
379.08151	0.4
415.14319	0.3
453.10071	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	452.2776
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
56.64826	0.5
61.98814	0.4
71.19384	0.9
72.56536	0.4
78.95895	100.0
94.67223	0.4
96.96954	6.0
122.00109	0.8
140.01173	4.6
152.99570	15.7
170.80415	0.5
171.00623	18.3
196.03781	7.1
214.04773	1.9
233.47951	0.4
236.94502	0.5
255.23260	88.9
256.23630	5.4
378.24115	1.6
452.27759	77.1
453.28104	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	453.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01948	0.4
54.11720	0.4
59.01375	11.3
61.98822	1.3
62.59542	0.3
65.00320	0.4
65.13710	0.3
68.07877	0.4
69.21598	0.4
71.01376	1.3
73.02946	1.0
78.95903	3.4
79.95733	3.2
85.02956	0.5
89.02448	0.9
93.03439	0.5
95.01363	0.4
96.96003	100.0
96.96887	4.8
98.19746	0.8
98.95591	5.4
98.96227	0.7
101.02439	1.3
113.02471	0.8
113.92659	0.4
114.93398	1.5
125.02420	0.4
149.04539	0.9
151.00380	0.7
157.31999	0.4
161.04539	0.6
167.02652	0.4
173.04515	0.7
176.96144	0.4
181.53537	0.3
191.05565	0.6
230.04433	0.5
240.67755	0.3
269.10187	0.6
300.02780	0.5
311.11456	1.0
373.05582	1.3
393.17978	0.6
411.18787	0.6
453.16455	3.1
454.08118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.3
59.01377	100.0
60.01719	1.3
60.28017	0.5
61.98829	4.3
67.27367	0.5
69.80045	0.9
69.80457	2.1
71.01378	13.2
71.01760	0.9
72.99325	1.0
73.02950	4.1
75.00880	1.4
79.95731	0.7
83.01404	1.7
85.02943	6.6
87.00893	1.4
89.02435	8.5
89.02924	0.8
93.03455	5.4
95.01358	1.0
96.96009	38.5
97.02985	0.8
98.19940	0.8
98.83507	0.5
98.95610	4.1
98.96413	1.0
99.00892	1.5
101.02444	11.6
111.00881	0.5
113.02437	6.9
115.07647	8.3
119.03484	4.2
123.04510	0.5
125.02399	0.7
129.01886	0.7
131.03499	1.0
137.02444	5.4
143.03513	0.7
151.00404	1.0
155.03506	2.3
159.02991	1.2
161.04530	7.4
167.03481	1.5
173.04575	3.5
174.04941	0.8
175.05011	1.0
176.96635	0.5
179.05652	1.5
181.83717	0.5
191.05617	5.2
192.06027	1.6
193.06110	2.0
195.19481	0.5
197.10373	0.5
226.34256	0.5
229.18083	0.6
258.08588	0.6
259.19223	1.7
273.11737	0.9
335.09821	5.8
391.23352	56.8
392.23624	5.2
451.16620	12.0
451.25629	13.8
452.17169	1.8
452.26126	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	451.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	86.4
60.01727	6.4
61.01819	6.8
61.98828	100.0
66.68327	2.6
71.01382	7.8
73.02943	3.1
78.95898	7.9
79.78404	3.2
85.02978	5.4
87.00905	3.2
89.79510	3.0
93.03452	4.1
96.96009	10.0
98.95600	9.0
101.02427	3.2
101.50701	3.1
113.02473	3.8
113.06022	2.9
113.07069	3.5
122.39283	3.2
135.04553	4.8
152.99579	7.0
156.28403	3.3
173.04552	10.7
191.05618	9.3
195.87679	2.9
228.80363	2.9
297.87091	3.3
368.91455	3.0
451.15512	5.1
459.19058	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	451.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61572	12.4
59.01366	100.0
61.98816	40.0
71.01384	14.4
71.62489	14.9
73.02952	19.4
85.02956	19.0
93.03444	11.9
95.12978	11.2
96.95986	15.3
108.80814	10.4
143.02577	10.4
161.15964	10.2
166.28857	11.3
173.04477	28.4
191.05550	44.7
192.05893	11.2
202.06319	10.8
215.71696	10.1
241.17526	12.1
243.23642	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	451.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03447	1.5
59.01374	100.0
61.98830	2.6
64.44137	0.9
65.74549	0.9
67.01881	3.5
69.03458	1.7
69.37357	7.7
71.01376	35.6
72.99298	1.5
73.02937	17.1
75.00860	2.9
81.03450	1.5
83.01385	5.7
85.02943	14.2
85.77155	0.9
87.00863	10.3
89.02431	11.6
93.03453	17.6
94.03786	6.3
95.01373	2.4
97.02942	1.4
99.00877	3.8
101.02434	23.0
111.00891	1.0
111.04494	3.5
112.04786	0.9
113.02441	10.9
119.03478	4.3
120.99696	0.9
127.03988	1.8
129.01924	1.2
133.02922	1.3
134.03699	3.5
135.04448	1.6
141.09200	17.0
143.03494	2.3
143.10764	5.4
153.12868	1.3
155.03398	1.4
159.03015	1.8
161.04552	8.0
167.10774	1.8
173.04529	18.6
174.04860	9.0
175.04953	8.3
187.13376	1.7
191.05589	33.4
192.05911	4.8
193.06113	5.7
197.11836	1.8
203.05579	3.3
231.10155	1.3
232.10474	1.7
275.09262	2.6
276.09525	3.2
277.09784	3.9
283.15369	1.4
295.34613	1.0
331.17569	27.3
332.17792	1.7
349.18594	39.9
350.18997	3.4
374.90634	1.0
391.19696	27.2
392.20096	1.6
451.14969	11.9
451.28857	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	451.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	52.0
61.98833	33.0
69.43991	100.0
69.44414	75.8
77.90405	22.5
87.75029	21.8
94.24151	24.7
96.96013	67.6
98.19904	49.5
126.05322	24.9
130.73264	24.3
137.88332	22.7
152.99565	42.7
199.09706	45.6
210.84653	27.9
225.11319	23.4
279.15662	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42854	5.6
59.01362	9.8
60.96189	5.6
69.74341	32.5
71.01356	11.4
89.02431	17.4
95.20798	5.8
96.20893	5.4
97.14273	4.7
98.20590	11.8
101.02454	9.1
108.90176	52.7
110.89932	6.8
113.02436	6.6
119.03315	5.4
154.91585	7.8
171.71901	5.2
191.49083	6.6
202.72403	5.5
302.77863	8.8
302.90845	6.2
373.96890	5.8
415.14609	70.9
451.12131	100.0
452.12433	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	451.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.3
61.98815	0.8
69.45119	1.9
71.01379	0.8
72.00404	0.2
73.02947	0.3
75.00855	0.9
79.95734	1.7
83.01366	0.2
85.02940	0.6
89.02442	0.4
93.03464	0.6
96.96001	100.0
97.95930	0.5
99.00892	0.3
101.02482	0.4
113.02429	0.6
173.04514	0.8
174.04774	0.3
174.30684	0.2
175.05031	0.3
191.05595	0.9
192.05907	0.6
193.06042	0.7
204.59279	0.2
273.11569	1.0
305.16043	0.5
347.17017	0.8
365.18430	0.5
407.19183	0.7
412.98325	0.2
451.16376	32.8
451.29428	0.8
452.16608	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	450.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09026	1.0
52.19605	1.2
60.65973	1.3
61.98824	100.0
70.68056	1.2
70.68391	3.1
78.17303	1.2
98.20823	1.0
115.03471	1.1
126.55732	1.2
198.32471	1.3
201.60225	1.2
293.86523	1.2
379.16290	1.3
389.63300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
58.00579	0.5
59.01088	0.8
59.01373	14.1
60.01701	0.7
60.99287	1.6
61.98809	2.2
62.99731	0.5
65.03952	0.7
67.01874	5.6
69.03458	2.7
69.42896	3.4
69.43309	0.9
70.49348	0.5
71.01377	9.8
72.01713	0.7
72.99313	0.5
73.02940	2.4
75.00869	0.9
81.03463	1.7
83.01372	1.6
83.05019	1.1
85.02946	5.4
87.00871	6.1
87.04511	0.9
88.01215	1.4
88.98793	0.5
89.01298	0.8
89.02429	3.4
93.03450	67.6
94.03784	12.5
95.01378	1.7
95.04052	1.4
96.96008	0.8
97.02934	1.7
97.06551	0.7
99.00858	1.6
99.04504	0.8
101.02436	4.6
107.01405	1.0
107.05005	0.5
108.02174	0.8
109.02946	2.1
111.00829	0.6
111.04505	5.5
112.04848	1.6
113.02440	4.6
113.04967	0.8
117.01920	1.3
119.03482	1.1
121.02972	0.9
123.00873	6.9
123.04502	0.7
124.01655	16.5
125.02436	30.9
126.02766	0.9
127.04014	1.0
133.02930	2.7
134.03763	4.3
135.04582	3.2
136.01624	0.7
137.02431	55.6
138.02797	2.3
139.02823	0.5
149.02422	0.7
149.99573	31.9
151.00375	3.0
155.03496	1.6
156.03830	0.7
157.04007	0.5
160.01620	0.8
161.02380	2.3
161.04538	1.0
162.03140	1.2
163.03656	0.7
167.03459	1.7
168.00627	65.5
169.01392	7.7
173.04530	33.1
174.04868	16.2
175.04988	15.8
176.05315	0.7
177.01895	0.9
179.03433	1.4
183.04457	1.1
191.05571	9.4
192.05913	3.8
193.06061	4.3
211.13478	0.5
227.03496	4.1
229.14531	0.6
231.10246	1.6
232.10490	0.7
233.10756	1.1
255.66478	0.6
259.09677	0.6
260.70361	0.5
275.09259	2.3
276.09592	2.3
277.09793	4.8
313.05630	15.9
314.06067	0.9
331.06659	33.0
332.07318	1.5
351.20139	3.0
421.22720	1.4
451.08905	100.0
451.15277	19.2
451.22598	4.9
451.29147	2.1
452.09229	9.5
452.15320	1.2
452.22913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
59.48618	0.5
61.98828	0.9
67.66360	0.4
68.55486	0.4
71.63583	0.6
78.95900	11.0
80.91702	0.5
93.03421	0.6
94.93900	0.4
96.96945	0.8
105.57413	0.5
114.09046	0.4
121.14512	0.4
131.16011	0.4
140.01175	1.9
152.99562	3.1
161.33493	0.4
171.00627	1.5
173.04530	0.7
196.03719	0.6
214.04778	2.6
220.33473	0.5
253.21703	100.0
254.22040	6.0
299.25446	0.4
450.26166	13.8
451.26755	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
59.01374	16.1
60.01724	0.7
61.01818	0.9
61.98826	100.0
62.98534	0.9
63.99250	6.6
69.55360	3.4
71.01375	2.8
83.01405	0.7
83.96215	0.4
85.02946	0.9
86.79256	0.4
87.00917	0.5
89.02435	1.6
90.32662	0.4
96.96004	0.8
98.19956	1.0
99.00871	0.8
101.02441	1.8
112.38982	0.5
113.02448	1.1
119.03461	0.9
123.04555	0.5
125.02435	2.4
126.02766	1.3
132.84860	0.4
151.00462	0.5
161.04565	0.9
165.01930	0.6
168.71387	0.5
173.04561	0.8
187.07619	0.6
191.05626	1.5
237.52501	0.5
243.06691	0.5
258.40826	0.4
259.06274	1.4
260.06345	2.4
270.04892	2.5
276.09622	1.6
288.06024	1.5
341.31665	0.5
379.69507	0.5
390.21933	1.1
391.19678	0.6
450.10699	2.5
450.93243	0.5
451.22574	0.6
455.05167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31559	0.2
56.91663	0.2
59.01374	3.9
60.01719	0.6
61.01808	0.4
61.56663	0.2
61.98827	100.0
62.68504	0.2
71.01390	0.4
71.13624	0.6
74.81260	0.2
76.53411	0.2
85.02918	0.2
86.10622	0.3
89.02450	0.6
101.02448	0.6
105.47739	0.2
129.69803	0.2
179.97769	0.2
197.94408	0.3
387.16638	0.8
451.22305	0.3
471.98456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.6
60.01706	0.6
61.98824	100.0
69.45469	3.3
71.01399	2.7
85.02925	1.1
89.02431	2.8
93.03470	0.4
95.25944	0.4
101.02435	2.3
113.02457	1.3
119.03530	0.7
127.99200	0.4
128.58711	0.4
163.11383	0.8
165.57765	0.5
188.63936	0.5
191.05583	0.8
196.04877	0.5
207.10196	1.9
260.06592	0.6
276.09738	0.6
331.17682	0.4
345.93445	0.4
387.16559	25.3
388.17053	1.6
413.83026	0.5
450.10986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82198	0.3
59.01086	0.6
59.01379	9.1
60.01709	0.9
61.01815	0.3
61.98827	100.0
65.91470	0.3
66.15142	0.3
70.05796	0.9
70.27007	0.3
71.01388	1.3
85.02962	0.4
89.02454	0.9
96.96027	0.5
101.02451	1.0
113.02470	0.7
115.07827	0.3
119.03524	0.5
119.70737	0.3
125.02419	0.6
161.04619	0.7
190.60912	0.3
191.05591	0.3
191.56848	0.3
240.06329	0.3
240.76628	0.3
276.09656	0.4
284.12595	0.3
387.16571	5.2
388.16992	0.5
390.22418	0.5
427.93497	0.3
450.11304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.4
59.01374	100.0
60.01711	1.3
61.98838	0.8
67.01884	0.6
69.60479	2.2
71.01384	3.2
72.93012	0.3
73.12518	0.3
85.02956	1.1
87.00882	0.7
89.02438	4.1
93.03452	3.3
96.96003	11.7
101.02451	1.9
106.10335	0.3
111.04523	0.4
113.02426	2.1
119.03513	1.4
134.03705	0.7
135.04562	0.8
142.22404	0.3
143.03555	0.3
161.04576	0.7
173.04529	5.1
190.99298	0.3
191.05594	3.3
192.06007	0.4
195.13870	1.2
213.03148	0.3
213.15088	0.4
275.09357	0.5
357.19144	3.9
358.19580	0.4
449.15057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98843	1.1
62.96400	0.3
70.76745	0.5
78.95898	51.7
93.03458	0.3
96.96961	5.8
110.46503	0.2
122.47858	0.2
126.95253	0.2
141.79033	0.2
150.98018	1.7
152.99583	100.0
153.99924	1.2
171.00621	4.0
173.04568	0.5
191.05600	0.2
295.22852	0.5
410.31473	0.2
449.23050	14.7
450.23389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
61.98822	0.7
67.01875	0.8
70.03709	0.4
71.01366	0.7
71.32165	0.7
74.34973	0.4
78.95898	53.2
80.32405	0.4
87.00830	0.5
93.03454	4.0
96.95992	0.5
96.96955	5.9
100.73244	0.4
105.22261	0.4
108.04534	0.7
111.04528	0.9
116.92834	0.6
116.97234	0.7
117.01911	0.8
126.54343	0.4
133.02937	1.2
134.03757	0.6
135.04518	1.0
150.98029	1.8
152.99574	100.0
153.99913	1.2
154.99971	0.4
155.03502	0.6
164.07176	1.6
171.00636	4.2
173.04533	7.4
174.04984	0.4
175.53522	0.4
179.03482	0.7
191.05530	2.0
201.26787	0.4
211.05556	0.4
263.14554	0.7
275.09250	0.8
293.21130	0.7
295.22778	0.7
349.27332	0.8
367.16376	0.7
449.09573	0.6
449.15784	0.8
449.22916	16.1
450.23203	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	449.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02520	1.3
53.25272	1.2
57.03440	2.8
59.01374	94.1
61.98820	1.7
64.66658	1.2
67.01880	3.7
69.03464	1.6
71.01380	19.0
72.99303	1.8
73.02922	1.7
83.01395	1.8
85.02950	12.4
87.00873	4.3
89.02435	17.2
93.02913	2.1
93.03446	25.1
95.01383	1.3
99.04539	9.1
101.02428	10.2
106.46407	1.1
106.47120	1.3
111.04491	4.6
113.02434	5.8
118.65751	1.1
119.03479	4.8
127.03976	2.2
135.04494	2.5
151.00352	2.4
155.03519	2.1
158.03764	1.4
159.04449	1.8
165.12794	4.4
173.04547	47.5
174.04787	1.7
179.05634	1.4
187.07626	6.9
191.05602	96.4
192.05893	3.6
203.10768	1.5
207.13913	10.4
209.11795	28.8
210.12057	1.9
213.09152	3.8
215.07053	1.8
225.14967	11.3
227.12968	6.3
229.08571	1.3
231.10197	6.6
251.12836	6.1
257.08215	9.0
269.13901	82.2
270.14209	4.9
275.09219	9.3
287.05539	2.5
287.14948	20.6
389.18063	2.9
393.92285	1.2
427.48996	1.3
449.14630	6.6
449.20184	100.0
450.20526	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	449.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53629	8.4
59.01369	41.1
61.98820	42.1
62.32376	8.0
67.01854	11.4
69.81505	38.5
71.01355	8.7
78.95896	68.2
87.00817	8.1
88.59339	8.3
93.03461	74.5
96.95980	11.0
98.20642	9.4
111.04507	18.8
121.02907	8.8
133.02937	11.6
134.03764	13.8
135.04541	14.0
152.99596	99.7
173.04550	100.0
191.05553	33.5
250.87030	8.8
275.09076	14.3
349.27365	7.7
449.14481	24.7
449.23016	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	449.1494
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.02063	0.4
59.01365	1.7
61.98811	1.4
62.96402	23.1
70.20144	1.3
78.95895	57.6
80.97459	31.3
82.85690	0.4
84.94135	0.4
87.00215	0.4
91.66757	0.4
93.03461	4.1
129.01877	0.5
134.03716	0.5
135.04529	0.6
149.00079	12.8
150.00438	0.6
152.99538	1.8
164.07231	0.5
173.04553	4.9
174.88010	0.4
179.01082	1.3
187.07608	0.5
191.05600	1.8
196.01865	0.5
205.15942	7.0
206.16330	0.5
242.98236	4.5
268.95288	0.5
269.67120	0.5
275.09247	0.8
281.21204	1.0
285.12662	2.1
354.16449	0.5
355.16733	15.8
356.17093	1.3
362.11465	0.5
384.02682	0.4
385.17816	21.1
386.18085	2.2
449.14874	100.0
450.15186	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	449.1496
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.65751	0.5
59.01371	2.6
61.98817	1.5
62.96405	25.6
67.01887	1.4
69.51150	3.5
71.01375	0.9
78.95898	59.1
79.29347	0.5
80.97462	30.3
81.03458	0.5
87.00854	1.4
93.03452	8.5
96.96023	0.5
96.96988	0.7
98.19928	1.1
109.02945	0.6
111.04507	1.3
116.42956	0.5
121.81796	0.5
133.02928	0.6
134.03702	1.4
135.04527	1.2
137.02498	0.5
145.83978	0.4
149.00078	16.5
150.00395	0.5
152.99594	2.5
154.99969	0.5
173.04536	10.3
179.01135	1.3
180.36769	0.5
191.05618	5.5
199.43840	0.5
205.15961	7.3
206.16389	0.5
231.10333	0.9
242.98201	5.2
275.09143	1.6
285.12613	1.6
355.16757	19.0
356.17026	1.2
385.17804	20.8
386.18185	1.8
449.14923	100.0
450.15265	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01376	10.6
59.20045	0.8
59.28180	0.9
59.55199	0.8
67.01884	7.2
69.03448	2.4
69.28830	8.6
71.01378	5.4
75.00826	1.0
81.03452	1.3
83.05077	1.6
85.02942	10.8
87.00877	5.2
93.03452	41.9
94.03811	1.3
98.19865	1.5
99.00839	1.0
99.04496	0.9
109.02932	2.1
111.00881	0.9
111.04523	8.1
113.02438	1.0
127.03969	2.8
133.02946	1.5
134.03725	3.1
135.04520	1.1
137.02435	6.0
141.52747	0.9
149.06018	1.0
155.03490	7.0
158.03792	1.7
159.04434	2.6
172.05283	11.1
173.04535	100.0
173.05876	3.4
174.04872	3.4
175.07584	1.4
183.04581	0.9
187.03969	2.4
187.07626	54.5
188.07936	4.1
191.05597	61.7
192.05940	2.1
198.06923	1.3
200.04840	1.2
201.05472	2.9
202.06354	7.4
203.10664	1.2
213.09203	25.1
214.09546	2.0
215.07056	6.5
220.08427	0.8
227.03413	1.9
227.12680	1.0
228.03925	1.7
229.08690	3.7
231.06564	30.2
231.10208	36.5
232.07005	1.6
232.10564	1.1
233.06660	1.0
255.02995	1.3
256.03339	2.0
257.03665	2.1
257.08185	16.7
275.09235	51.4
276.09418	2.9
285.03693	1.7
286.03912	1.7
341.74014	1.0
391.99857	0.9
405.11826	1.0
449.08987	5.3
449.15128	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	449.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16117	0.2
57.03450	0.2
59.01371	4.2
59.44217	0.2
60.56277	0.2
61.98807	0.4
64.00938	0.2
65.34550	0.2
67.01878	0.7
69.03439	0.4
70.93253	0.4
70.93624	0.3
71.01367	1.3
71.47958	0.2
73.02946	0.4
81.03453	0.4
83.05016	0.4
85.02940	8.5
87.00871	2.0
89.02457	0.2
93.03450	6.3
99.04505	0.5
101.00762	0.2
101.02473	0.2
109.02928	0.7
111.00814	0.2
111.04487	1.6
127.03993	2.0
137.02420	0.3
155.03502	0.5
159.04497	0.4
171.02954	0.6
172.05298	1.0
173.04530	7.6
173.05957	0.5
183.04503	0.4
187.07622	7.4
188.08044	0.4
191.05583	100.0
192.05919	3.1
199.04022	0.6
200.04747	0.4
202.06277	0.5
204.04300	0.4
213.09222	1.3
214.06262	0.3
215.07021	1.6
220.80205	0.2
223.75545	0.2
227.03439	1.0
228.04193	0.9
229.08688	0.8
231.10225	2.0
232.10764	0.3
257.08142	10.4
258.08475	0.7
275.09222	2.5
287.14929	0.5
449.14529	2.3
449.20114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01373	1.9
60.99303	3.2
66.44122	0.5
67.01886	9.7
69.03439	2.5
69.33880	3.8
71.01376	4.5
81.03462	1.7
83.05019	1.6
85.02918	1.1
87.00867	9.6
88.19427	0.4
93.03448	69.2
94.03784	2.0
97.06580	0.5
99.00856	1.1
99.04523	1.0
105.03461	1.2
109.02938	1.2
111.00867	1.2
111.04507	10.1
113.02437	0.8
115.03992	0.6
117.03436	0.6
119.67340	0.5
129.01959	1.2
133.02951	3.6
134.03731	8.7
135.04515	6.2
137.02434	3.3
138.81842	0.4
155.03500	4.8
160.01694	0.5
161.02455	0.8
162.03265	2.2
166.39862	0.4
173.04524	100.0
174.04837	2.2
177.01761	0.4
178.02695	0.8
178.53020	0.4
179.03491	0.7
187.07738	0.4
191.05582	6.4
231.10237	7.4
257.08145	0.7
275.09247	10.6
308.08841	1.0
332.67526	0.4
351.07138	0.8
352.08051	0.6
360.87125	0.4
399.63376	0.5
449.14487	31.9
450.14948	4.4
450.20850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.8
61.98826	100.0
70.84349	2.8
71.51231	1.2
78.95897	43.4
82.35718	0.9
88.07069	1.1
93.03448	3.9
96.58409	1.0
96.96000	2.2
96.96969	3.5
98.20009	1.3
138.03314	1.3
150.97955	1.8
151.00401	1.6
152.99579	85.0
153.99925	2.4
171.00627	3.7
173.04552	7.5
177.08205	1.1
191.05692	3.0
196.13976	1.4
256.03256	2.1
272.02728	2.4
300.02820	1.7
301.03183	8.4
302.03760	3.8
307.01086	1.1
402.59741	1.5
448.09546	7.5
448.21942	2.5
449.23059	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	449.1088
Annotation	Marein
Peak:m/z	Relative Intensity
52.09250	0.7
55.01866	1.3
57.03450	4.1
58.00599	1.0
59.01375	56.8
61.98827	38.6
65.00310	2.7
71.00991	1.0
71.01382	18.4
71.62824	1.0
72.99297	3.3
73.02957	5.1
78.95890	1.3
81.03466	3.9
83.01376	7.9
85.02950	7.2
87.00870	2.4
89.02437	15.5
93.03444	9.0
95.01389	1.7
95.05058	0.7
96.96004	17.5
96.96954	1.2
97.02946	1.6
98.95584	7.1
98.96365	1.2
99.00880	1.9
99.04520	0.8
101.02435	12.1
107.01396	5.3
109.02945	2.4
113.02438	9.2
113.06004	0.8
115.66223	0.8
119.03501	7.6
119.04957	0.7
120.99617	1.0
121.02935	2.3
123.04522	2.3
124.01671	1.9
125.02438	45.6
126.02702	1.2
128.03519	1.2
131.03494	0.8
133.02933	2.9
135.04465	0.9
137.02408	2.4
139.03978	2.8
139.07655	0.8
143.03503	1.4
146.04616	1.0
149.02419	3.4
149.04494	0.8
150.03201	1.4
151.00349	17.9
151.31020	0.7
152.01163	4.4
153.01912	6.0
158.03694	1.5
159.03070	1.1
159.04488	2.6
161.04514	3.2
163.11317	4.2
165.01871	1.8
165.05536	2.3
166.02676	1.2
167.03439	3.0
168.03790	0.9
169.01346	1.4
171.04497	0.9
172.05276	4.7
173.04526	5.0
173.06035	11.7
175.00317	1.6
175.04008	2.3
177.05510	3.9
178.99857	16.7
179.03421	0.9
179.05634	3.7
181.01382	2.6
183.47131	0.8
187.07608	3.2
191.05602	12.8
195.02821	1.3
195.06660	0.9
199.07600	1.4
200.04680	1.1
201.05524	4.4
202.06201	1.1
215.07098	13.1
219.06602	0.7
231.10193	1.9
241.05022	2.5
243.06581	7.4
255.06654	1.0
259.06076	100.0
260.06366	6.3
269.04514	1.0
273.07767	1.2
275.09286	5.7
283.06097	18.8
284.06430	0.9
287.05579	67.0
287.18576	2.5
288.05963	5.9
301.07227	7.7
304.28192	1.0
311.05441	1.8
313.07001	2.2
329.06674	1.6
343.06699	0.8
361.09314	1.5
387.16583	23.7
389.21683	2.9
399.59760	0.9
405.17386	1.0
421.11359	16.8
422.11609	1.6
449.10498	9.1
449.19504	4.2
449.23889	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
60.22197	0.3
70.84883	0.3
70.85213	0.7
78.95895	4.2
97.35608	0.3
99.42239	0.3
110.98524	3.7
135.27220	0.3
139.59071	0.3
152.99574	0.3
167.01068	1.7
185.02158	3.1
204.36501	0.3
261.22067	0.5
279.23248	100.0
280.23566	7.6
447.25113	8.0
447.31320	0.4
448.25394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.7
60.01711	1.4
61.98824	100.0
70.95033	0.3
70.95364	0.5
71.01382	1.0
85.02940	0.4
85.39780	0.3
89.02435	0.7
101.02444	0.7
119.03500	0.5
123.08142	0.4
125.02428	0.6
161.04572	0.7
179.05653	0.4
191.05469	0.3
236.23444	0.4
259.06091	0.9
269.04642	0.6
355.07800	0.3
388.20203	0.7
449.10861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35493	0.4
58.60036	0.5
59.01376	100.0
60.01709	0.8
62.95858	0.4
70.36876	0.7
70.37247	0.8
71.01380	7.9
72.21010	0.3
72.99285	0.5
73.02991	0.4
83.01369	0.4
85.02956	1.2
85.40068	0.4
87.00887	0.6
89.02438	15.7
90.02787	0.4
96.95992	0.6
101.02433	4.7
107.03487	0.4
113.02431	3.6
119.03493	6.0
131.03508	0.9
143.03525	1.7
149.04524	0.6
161.04507	2.4
167.03496	1.1
179.05606	12.8
245.53342	0.4
258.20468	0.4
269.74930	0.5
285.53668	0.4
302.76346	0.5
328.68631	0.5
347.81894	0.5
415.33078	0.5
447.15396	0.9
447.22693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45857	0.4
59.01376	100.0
60.01707	1.0
61.98831	4.3
69.91256	1.9
71.01381	4.0
73.02948	1.3
85.02958	1.5
89.02444	2.5
98.20551	0.4
99.00859	0.6
100.47552	0.5
100.67156	0.4
101.02440	2.8
101.12070	0.4
103.62618	0.4
113.02435	2.4
119.03481	1.0
123.08176	2.1
137.09749	0.6
147.77908	0.5
159.02991	0.6
161.04570	5.8
163.11324	1.0
168.79694	0.4
179.05621	1.7
183.25768	0.4
189.12851	2.9
207.13892	5.3
225.14934	1.3
264.44974	0.4
387.20239	3.4
415.44153	0.5
447.22348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.22688	0.2
58.54020	0.2
59.01375	100.0
60.01712	0.9
61.98819	0.4
67.01877	0.4
69.03458	0.5
71.01378	3.8
71.63717	0.3
73.02942	0.9
79.01853	0.2
83.01386	0.5
85.02942	1.4
87.00859	0.4
89.02442	3.1
93.03439	0.7
95.01373	0.4
96.96033	0.9
99.00893	0.4
101.02431	2.6
107.01377	0.9
108.02180	0.3
109.02968	0.2
109.90648	0.2
113.02447	1.7
117.16520	0.2
119.03489	1.5
121.02959	0.2
125.02437	0.5
135.00877	0.5
135.04558	0.3
143.03461	0.2
151.00366	1.9
152.01096	0.5
159.03003	0.3
161.04576	1.6
173.04535	1.3
174.86211	0.2
178.99864	0.8
179.05573	0.6
190.14362	0.2
191.05580	1.5
201.05495	0.2
211.13466	0.2
227.03601	0.4
229.05298	0.2
242.05869	0.5
243.02878	0.8
243.06557	0.5
255.02982	2.3
256.03391	0.3
271.02475	3.9
272.02795	0.5
283.02567	0.2
284.03131	0.4
299.02011	0.3
300.02740	6.8
301.03482	5.6
302.03934	0.3
373.18704	0.2
387.20212	1.0
447.09195	6.4
447.20398	0.3
448.09467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01701	1.1
61.98827	0.3
65.00309	0.4
68.94164	0.3
70.82469	0.7
71.01379	3.8
73.02956	1.1
83.01408	0.7
85.02949	1.7
87.00883	0.6
89.02434	3.5
93.03458	1.0
93.46098	0.3
99.00850	0.6
101.02430	3.0
107.01373	0.6
109.02983	0.5
113.02472	2.3
119.02759	0.4
119.03486	1.8
120.99751	0.4
121.02950	1.8
143.03503	0.4
151.00356	2.2
161.04515	1.8
163.00255	0.4
173.04572	1.5
178.99792	0.6
183.13924	0.3
184.61177	0.4
188.08150	0.3
191.05563	2.7
227.03551	0.8
243.03024	1.5
245.04311	0.5
254.02287	0.3
255.02934	4.6
271.02414	6.8
284.03152	0.4
300.02725	12.0
300.05981	0.7
301.03461	9.9
301.06775	0.6
381.33777	0.4
387.20184	1.5
447.09247	10.4
447.22079	0.8
448.09702	1.1
448.22250	0.4
474.58014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16431	0.7
57.03451	1.3
59.01377	100.0
60.01711	2.1
61.98825	4.6
63.02398	1.3
65.00340	1.3
67.01905	1.3
70.23605	0.7
71.01381	9.5
71.62882	1.2
72.69189	0.7
73.02950	4.2
74.99094	0.8
83.01405	2.2
83.05027	0.9
85.02957	5.8
87.00883	2.3
88.68959	0.8
89.02441	3.6
93.03453	9.9
95.01412	0.9
99.00869	1.2
101.02442	8.3
107.01398	2.9
108.02223	1.0
109.02947	3.2
111.04463	0.9
113.02442	3.3
119.03461	1.1
120.99655	1.2
121.02954	2.9
125.02462	0.9
127.04050	0.8
128.01007	0.6
135.00903	0.9
135.04515	1.2
136.95442	0.7
137.02434	1.2
148.01640	1.3
151.00354	15.5
155.03516	1.6
161.04538	2.6
163.00366	3.0
165.12782	1.4
169.01358	0.8
173.04549	15.8
173.06006	1.5
174.03137	0.9
174.04953	0.8
177.39742	0.7
178.99831	6.5
179.03487	0.8
183.13864	2.2
191.05592	25.1
192.05965	0.8
199.04089	0.8
199.13326	1.2
211.04001	2.2
211.13376	25.6
212.13759	1.1
215.03673	0.7
226.02766	1.3
227.03459	8.4
229.04976	0.8
229.08701	1.4
239.03412	1.2
240.04176	0.8
243.02937	7.2
244.03244	0.8
245.04588	2.4
253.09264	3.1
254.02168	1.4
255.02962	25.7
255.06689	1.5
256.03479	2.5
270.37054	0.7
271.02472	38.9
272.02930	2.9
273.04001	0.8
273.07785	0.9
283.02386	2.1
284.03165	5.1
285.03894	1.9
299.02039	1.3
300.02722	66.5
301.03476	55.8
302.03839	3.8
315.18304	1.0
327.18039	2.8
345.19186	8.2
387.20044	6.3
405.21024	0.8
412.38748	0.9
447.09232	63.2
447.21631	6.0
448.09402	5.2
448.21582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18449	0.1
54.79189	0.1
58.60306	0.2
59.01381	1.3
61.98830	1.0
62.96405	0.3
71.50726	0.2
71.58808	0.2
78.95897	52.5
96.74349	0.1
96.96951	5.9
122.59272	0.2
150.98016	1.8
151.00372	0.7
152.99576	100.0
153.99919	1.6
171.00630	4.7
171.02092	0.3
178.39005	0.2
178.99867	0.3
211.13464	0.3
227.03358	0.3
243.02985	0.4
255.02997	1.1
271.02429	2.0
272.02771	0.2
293.21356	0.5
300.02716	2.7
301.03531	2.4
301.15894	0.2
302.03653	0.2
447.09250	3.0
447.21484	14.3
448.09497	0.2
448.21765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.3
61.98824	2.0
68.90050	0.3
70.85156	0.8
71.01392	0.3
78.95898	51.5
89.02431	0.3
96.96001	0.6
96.96958	6.4
107.01427	0.4
113.60210	0.3
121.02912	0.4
127.17719	0.3
142.59966	0.3
149.87541	0.3
150.98007	1.7
151.00349	1.7
152.99574	100.0
153.99924	1.1
163.00302	0.3
171.00616	4.4
171.10204	0.3
178.93401	0.3
178.99825	0.7
199.03943	0.3
211.13354	1.1
227.03365	0.6
240.81888	0.3
243.02948	0.7
255.02969	2.9
271.02438	4.6
272.03088	0.3
284.03281	0.7
293.21164	1.0
300.02710	7.1
301.03458	5.9
305.71487	0.3
313.23569	0.3
328.60577	0.5
329.10712	0.3
420.83734	0.4
447.09293	6.1
447.21487	11.8
448.09369	0.6
448.21826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19057	0.4
53.00043	0.4
59.01379	6.8
61.98814	1.2
65.00329	0.4
70.16125	0.4
71.01378	0.6
71.63081	0.4
78.95898	56.3
83.01385	0.5
96.96016	2.1
96.96949	6.0
98.95574	0.4
102.27624	0.4
107.01389	0.6
109.02953	0.8
113.09703	0.6
121.02931	0.5
138.20798	0.4
142.39879	0.5
150.98010	1.9
151.00371	2.4
152.99574	100.0
153.99927	1.3
156.78125	0.4
163.00339	0.6
171.00629	4.6
178.99843	1.4
182.16382	0.4
183.13875	0.5
184.60574	0.4
191.05663	0.6
211.13397	5.6
227.03561	1.0
232.13969	0.4
243.02905	1.1
253.09210	0.6
254.02191	0.5
255.03009	5.3
271.02426	8.3
284.03259	1.2
300.02744	11.3
301.03506	7.4
302.03925	1.0
323.04849	0.5
387.20786	0.5
439.41696	0.5
447.09161	10.0
447.21445	12.4
448.09778	1.3
448.22202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03447	2.3
57.69436	0.5
59.01372	100.0
60.01707	1.0
60.17413	0.5
61.98824	0.5
67.05525	0.5
71.01376	11.2
71.62964	0.6
72.99290	0.8
73.02938	4.6
74.50220	0.5
75.00846	0.5
81.03461	0.7
83.01397	1.9
83.05010	1.1
85.02937	7.3
87.00861	2.7
89.02428	4.2
91.36852	0.4
93.03452	3.0
95.01379	0.4
97.02969	0.6
99.00891	1.1
99.04514	0.6
101.02426	11.0
107.01411	0.5
111.04494	1.1
113.02431	5.3
119.03467	0.9
119.08635	1.8
125.02409	0.5
127.04005	1.1
129.01936	0.6
131.23137	0.4
135.08147	2.3
135.11736	1.0
137.02463	0.6
137.09705	6.8
143.03404	1.0
148.05196	0.5
151.00359	1.6
152.01105	0.6
153.09193	1.3
155.03510	0.6
159.02902	0.9
161.04529	6.3
161.09731	2.5
163.07620	9.0
172.05287	0.7
173.04529	6.4
174.04883	0.5
179.05566	1.0
179.10779	3.6
179.12129	0.4
181.08658	5.9
186.06799	0.5
191.05577	29.3
192.05836	1.1
197.11798	1.1
200.04747	1.4
201.09213	1.0
209.05951	0.6
209.11743	1.4
210.12169	1.1
211.07510	0.6
211.12201	1.2
213.05492	0.5
223.07887	4.7
223.09802	2.6
227.07039	1.3
229.08643	6.2
230.08908	0.6
243.02864	0.7
243.12306	1.3
255.02869	0.8
255.03702	0.7
255.06573	7.7
256.06946	0.7
271.02420	1.9
272.02536	0.5
273.07599	2.0
273.16928	0.5
278.96295	0.5
284.03168	1.1
285.03857	1.5
285.13339	0.6
299.51807	0.5
300.02725	2.1
300.52893	0.5
301.03409	2.3
363.04095	0.5
373.55725	2.1
374.05838	0.6
387.20169	6.6
388.20340	0.5
399.00235	0.6
429.17551	2.8
446.58438	0.7
447.09222	3.9
447.18549	59.4
448.18988	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	447.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
57.03439	1.2
58.00585	0.4
59.01379	30.1
60.99284	0.4
61.98838	0.7
69.61958	2.9
71.01380	7.6
71.41828	0.4
73.02950	3.0
75.00880	0.4
78.95897	8.3
79.95723	3.0
83.01382	1.3
85.02955	2.0
87.00892	0.7
88.98798	3.2
89.02440	5.1
91.01891	0.5
93.03439	0.8
95.01379	0.6
96.96007	100.0
96.96923	16.4
101.02441	5.0
108.02155	0.5
113.02446	2.8
119.03502	1.7
119.05034	0.5
123.04515	2.7
128.03548	0.5
131.03537	0.7
146.04613	1.1
149.09734	0.7
151.00374	1.5
152.01147	1.1
153.01910	0.5
161.04530	1.8
167.03477	9.0
167.07170	0.5
167.10791	1.3
168.03899	0.5
173.04558	1.4
179.05533	1.1
180.07904	0.5
181.05000	0.5
181.08507	0.4
191.05597	2.1
209.04561	4.2
243.16014	0.7
269.06677	1.8
271.02521	1.3
300.02719	1.2
301.03543	0.9
302.54041	0.4
311.07629	0.6
387.20270	1.5
401.14380	0.9
405.21399	0.8
429.21359	0.9
447.09335	1.3
447.15106	8.6
447.22311	1.6
448.15402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33688	0.2
59.01363	0.5
61.98835	0.2
62.96407	0.9
70.67177	0.7
74.77097	0.2
78.95898	36.3
84.50034	0.2
96.96014	0.2
96.96963	2.2
137.24400	0.2
149.00079	18.3
150.00514	0.2
151.00352	0.3
152.99568	3.3
158.92552	1.2
179.01131	2.4
205.15924	1.8
239.64644	0.2
240.96608	0.5
255.03018	0.5
259.86075	0.2
267.11536	0.4
271.02444	0.9
300.02823	1.4
301.03418	1.0
317.80630	0.2
347.08075	0.6
382.02139	0.2
402.98914	0.2
417.12469	0.9
431.10187	2.1
447.13385	100.0
448.13730	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	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.1
67.67257	0.3
69.84940	1.5
83.01395	0.5
85.02947	0.3
87.54702	0.3
88.26016	0.3
95.23946	0.3
107.01369	1.0
130.52959	0.3
151.00368	2.0
159.04443	0.3
163.00372	0.4
174.03302	0.4
175.04013	0.3
178.99770	0.4
183.04485	0.9
191.05594	2.0
208.66060	0.4
211.03972	1.4
213.05586	0.5
227.03461	55.2
228.03798	3.0
229.05009	1.7
239.03395	0.5
255.02945	72.4
256.03528	10.2
257.04379	1.2
284.03220	72.2
285.03918	22.8
286.04282	1.1
327.05032	1.1
406.80804	0.3
447.09259	100.0
448.09668	8.5
463.74326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59218	0.7
52.15637	0.6
59.09599	0.7
63.02396	0.8
65.00315	2.3
69.48344	3.2
69.48750	1.3
76.54222	0.6
83.01373	1.6
91.01898	0.7
107.01418	4.9
108.02152	1.7
109.02927	3.4
121.02960	4.9
135.00891	1.2
139.04091	0.7
148.01627	1.7
149.02440	0.7
151.00346	15.8
163.00368	4.1
164.01033	1.1
178.99838	8.7
183.04549	0.8
187.03932	0.9
199.03951	0.7
201.05446	1.1
211.04013	1.5
215.03494	0.9
226.02783	1.5
227.03488	4.0
228.03876	0.8
229.04967	0.7
243.02948	11.4
244.03433	1.2
245.04515	2.7
254.02132	2.0
255.02954	26.1
256.03400	2.7
257.04718	0.7
271.02435	52.8
272.02905	4.4
273.04065	2.0
276.33447	0.7
283.02451	3.0
299.02005	1.2
300.02716	91.0
301.03470	84.3
302.03845	5.9
361.87460	0.7
447.09265	100.0
448.09604	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	446.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43660	0.5
56.47716	0.6
59.01378	6.2
60.01728	0.5
61.98826	90.3
69.28270	1.8
69.28690	4.3
75.00866	0.5
76.55508	0.6
78.95898	51.6
96.96003	1.4
96.96957	6.1
98.20687	1.0
106.35668	0.5
136.63466	0.5
150.98015	1.8
151.00310	0.9
152.99576	100.0
171.00626	5.9
178.99896	1.0
211.13347	1.9
247.06847	0.6
255.02960	2.6
271.02393	4.4
284.03278	0.6
293.21164	1.0
294.21597	1.0
299.01837	0.7
300.02704	6.0
301.03564	4.7
446.20508	0.9
447.09128	5.8
447.21472	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	446.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
61.98828	80.4
70.77604	2.0
78.95899	51.5
88.04028	0.7
96.96004	0.9
96.96964	6.9
101.41045	0.7
150.98030	2.0
151.00357	2.5
152.99579	100.0
171.00624	4.5
178.99799	1.0
227.03375	1.3
243.03020	1.6
255.02963	3.6
271.02448	5.9
293.21173	1.1
299.01978	1.1
300.02710	8.4
301.03525	7.6
447.09311	9.8
447.21436	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01714	1.1
61.98824	1.5
69.70623	0.8
69.71017	1.3
71.01357	0.5
72.90759	0.5
77.28507	0.4
78.95906	1.9
89.02435	0.7
90.44151	0.4
91.04007	5.1
92.94327	0.4
96.96002	10.0
98.20596	0.9
133.63884	0.4
137.88536	0.5
148.92955	0.4
152.99602	1.7
171.00493	0.5
181.12436	0.7
197.11874	0.9
209.11856	0.9
211.13269	2.0
241.01466	0.8
247.02444	1.2
270.01816	0.9
271.02490	0.7
287.05658	0.4
293.21246	1.1
299.02017	0.9
307.01837	1.5
311.22256	21.2
312.22791	1.6
445.07886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56625	0.4
57.93433	0.4
59.01371	3.3
61.98823	100.0
70.15347	1.3
70.97343	0.4
78.95905	0.9
83.72451	0.5
96.95992	2.0
98.20541	0.5
99.41330	0.4
135.04601	0.5
151.00400	1.0
152.99603	1.6
211.13416	0.8
235.70259	0.6
255.02975	1.3
271.02475	2.0
291.81039	0.4
300.02753	3.5
301.03464	2.7
424.68060	0.5
447.09271	4.0
472.02719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61834	0.3
59.01375	100.0
60.01705	0.7
61.98825	2.3
69.61388	1.0
69.61810	1.3
70.50283	0.3
71.01372	0.5
72.38440	0.3
78.95900	6.3
79.16978	0.3
89.02469	0.7
91.04006	2.9
96.96000	5.8
96.96967	0.8
97.03850	0.3
115.76596	0.3
118.26288	0.3
121.03004	0.5
129.09195	0.5
148.24368	0.3
152.99580	8.3
153.00787	0.6
171.00589	0.5
171.35507	0.3
181.12416	0.6
183.68591	0.3
185.60146	0.3
196.83414	0.3
197.11848	0.7
209.11868	0.6
211.13412	1.6
241.01555	0.7
270.01923	0.5
271.02551	0.5
293.21310	1.1
299.02005	0.7
311.22269	14.2
312.22849	1.0
385.13174	0.7
385.18341	0.3
427.11026	0.4
445.07559	0.6
445.20184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46882	0.8
52.24819	0.7
53.43188	0.7
54.11018	0.7
55.17999	0.6
59.01378	8.6
60.99306	0.9
61.98820	1.8
67.01897	4.5
69.03468	0.9
71.01383	5.5
71.63698	1.1
81.03449	1.3
83.05021	5.3
85.02930	1.3
87.00888	1.2
92.92809	1.3
93.03450	28.8
96.96003	3.6
101.02448	1.0
109.02938	1.2
111.00888	1.3
111.04525	5.3
113.02471	0.7
113.09719	3.2
121.02940	5.7
137.02434	5.8
138.49796	0.7
151.00371	1.1
155.03510	4.6
171.10300	1.4
173.04532	100.0
174.04886	2.9
181.06325	0.7
183.17496	2.6
191.05576	2.9
199.04144	1.1
209.11841	2.8
209.15388	4.4
227.16507	30.6
228.16800	1.3
241.01387	2.4
242.01964	0.9
243.02950	1.4
245.00912	1.4
255.02943	1.7
258.91736	0.8
270.01611	2.5
271.02451	5.5
271.19189	1.1
298.01175	1.4
299.01944	10.2
300.02795	2.1
313.07068	1.2
329.22992	3.5
401.21667	2.2
445.06900	4.3
445.18143	1.1
445.24377	21.2
446.08463	1.5
446.24756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
58.31789	0.3
59.01371	4.3
60.99301	0.8
61.98826	0.8
65.13929	0.3
67.01883	4.7
69.03457	0.9
71.01380	3.7
71.03791	0.3
71.07619	0.3
71.63127	0.3
73.02939	0.3
75.68427	0.3
77.27939	0.3
81.03465	0.9
83.05020	1.0
85.02912	0.4
87.00847	0.7
89.02414	0.3
89.85212	0.3
93.03450	26.2
94.03805	0.6
96.95998	1.1
101.02427	0.5
109.02935	1.0
111.00890	1.0
111.04518	5.1
113.02477	0.4
114.06859	0.5
121.02936	1.1
127.03996	0.3
129.01924	0.4
137.02434	4.9
139.11275	0.8
141.12820	0.6
151.00319	0.5
155.03494	5.5
161.02437	0.4
173.04529	100.0
174.04883	3.1
185.11806	1.9
187.03937	0.3
191.05597	0.6
199.04062	0.3
209.11790	3.9
214.02611	0.3
227.03387	0.4
241.01402	1.8
242.02188	0.4
243.02957	0.9
245.00833	0.7
253.09274	0.6
253.18159	0.4
255.02994	0.5
269.17645	0.8
270.01736	1.9
271.02478	2.6
271.19122	25.4
272.19513	1.7
273.36676	0.3
298.01102	1.3
299.01874	5.3
300.02664	0.9
327.21326	0.3
445.07321	2.5
445.24390	15.1
446.08365	1.0
446.24692	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03440	2.7
58.00586	2.5
59.01375	78.4
60.29567	0.7
61.98824	1.3
63.02383	1.2
65.00311	2.6
67.01889	1.4
69.03469	1.3
71.01380	36.0
71.05001	1.5
71.62666	0.8
71.63058	1.1
72.99297	1.6
73.02943	7.3
76.42829	0.8
81.03477	1.2
83.01385	3.6
83.05017	1.3
85.02937	11.3
87.00861	4.4
89.02439	22.5
93.03452	7.1
93.36230	0.9
95.01409	4.3
96.96035	1.1
97.02917	1.1
97.06580	1.5
99.00863	1.6
101.02436	18.0
107.01385	4.5
107.05017	1.1
109.02926	4.1
111.00866	0.9
111.04524	2.3
111.08150	2.5
113.02441	13.8
119.03493	8.3
121.02939	10.3
121.06581	2.9
123.00797	1.0
123.04567	0.9
123.08135	1.1
124.01662	3.1
125.02441	3.5
125.06078	0.9
131.03497	4.9
135.08142	2.1
137.02435	1.0
137.09676	1.3
139.07593	1.4
143.03474	2.2
147.04480	1.1
147.08171	2.7
149.02362	1.2
149.09613	1.1
151.00348	14.6
151.11247	1.6
152.01189	5.2
152.03503	2.5
153.01959	1.1
153.09296	0.9
155.03514	1.6
155.07066	2.2
159.03017	1.9
160.08926	1.0
161.04552	15.0
163.03944	1.6
163.11261	21.6
164.11555	1.2
173.04527	13.7
175.11255	10.8
176.11723	1.0
177.09203	3.7
177.12796	1.0
178.99831	7.3
179.05608	3.3
187.11285	6.0
191.05557	3.7
192.00615	1.9
195.10231	3.1
205.12305	100.0
206.12645	5.9
221.06641	20.3
223.08205	5.1
225.52350	0.9
227.03497	1.2
253.01451	2.0
254.02173	1.5
255.03021	2.1
269.00873	3.8
271.02322	1.7
271.15479	15.8
271.18433	1.0
272.15805	1.0
292.03003	3.0
299.01962	1.5
299.52319	2.7
300.02734	14.2
311.02130	1.0
365.06046	5.7
367.17526	2.7
372.55191	7.0
373.05618	41.0
373.55829	2.1
385.18619	1.5
403.04654	1.0
419.04022	2.2
445.21155	8.9
446.08466	37.6
446.21310	1.3
446.58603	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	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81783	0.4
57.03447	1.9
58.00585	1.3
59.01374	100.0
60.01695	0.8
60.52629	0.4
61.98826	2.1
69.03440	0.6
70.99464	0.6
70.99831	0.5
71.01376	31.1
72.01725	0.5
72.99306	1.5
73.02945	7.2
75.00861	0.9
78.95916	0.8
81.03463	0.7
83.01377	2.2
83.05056	1.3
84.02157	6.4
85.02952	4.4
87.00878	1.5
87.04514	0.9
89.02439	3.9
91.00388	0.5
93.03439	1.2
95.01405	0.8
96.96006	21.0
96.96970	1.0
97.02942	1.0
99.00887	1.6
99.04492	2.9
101.02438	8.4
109.06558	0.7
109.22523	0.4
110.02426	0.5
111.04469	0.6
111.08152	0.7
113.02440	4.1
113.06085	1.3
119.03474	1.5
119.05022	1.7
121.02954	0.7
121.06582	2.1
121.10212	0.8
123.04493	0.5
123.08204	0.5
128.03503	0.9
128.23976	0.4
131.05025	1.5
131.08687	0.7
135.08136	1.0
137.09729	1.9
139.04031	0.5
139.07632	2.5
141.09236	0.5
143.03467	0.9
143.08545	0.4
146.04591	0.5
147.11826	1.0
149.04544	0.5
149.06061	2.7
149.09698	1.6
150.06792	0.7
151.07619	1.1
151.11275	0.5
153.09204	1.2
159.03008	0.6
159.08153	0.6
161.04547	4.3
161.09718	1.3
162.06813	0.5
163.04008	1.0
163.07652	0.6
163.11230	0.7
165.01917	0.5
165.09189	1.9
171.08124	1.4
173.04515	1.7
175.11253	0.9
177.12823	5.8
179.05618	0.6
179.10733	6.0
180.07896	2.0
181.08621	2.2
183.10153	0.5
187.11267	1.7
188.08395	3.2
189.09067	0.5
190.09904	0.6
191.05562	2.2
191.10759	1.1
193.12303	0.6
195.13882	1.1
203.05591	1.0
203.10602	0.5
205.12305	36.0
206.12619	2.4
221.72758	0.4
223.13364	55.5
224.13660	3.4
241.14433	25.0
241.16995	0.8
242.14728	1.2
253.16356	0.5
269.71497	0.4
283.15573	1.1
385.18735	0.7
403.19589	1.2
431.30676	0.5
445.03876	0.7
445.16827	1.8
445.21625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01377	41.6
61.98818	1.9
67.01887	1.3
69.74481	1.4
69.74883	5.3
71.01379	8.1
72.99274	1.0
73.02944	3.6
75.00861	1.3
83.01375	1.2
83.05010	1.6
85.02937	6.1
87.00910	2.5
89.02426	6.3
93.03448	4.0
94.98113	1.1
96.95999	4.0
97.06554	1.3
98.19952	1.5
101.02430	6.2
102.92315	0.9
108.51875	1.0
109.03001	1.2
113.02435	3.1
117.07912	1.1
119.03453	3.1
123.04505	2.2
123.09784	1.1
125.02456	1.4
128.03532	2.4
129.86496	0.9
135.08189	1.0
136.05286	4.7
137.06017	1.7
143.03539	1.4
148.05305	1.8
149.06041	3.2
150.06857	19.8
151.03978	6.6
151.07642	12.3
161.04587	1.7
162.06850	30.4
163.07639	24.3
165.05577	3.4
173.04514	4.6
179.05647	2.6
179.10767	1.2
180.07906	73.8
181.08685	100.0
182.08990	3.3
191.05632	9.9
209.11740	1.8
223.09674	3.8
271.06018	1.3
271.15411	3.1
283.15393	1.2
325.12878	5.5
326.41953	1.0
385.14941	7.8
445.12720	3.3
445.20837	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	445.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.1
65.34451	1.2
71.01366	4.4
71.21494	2.5
72.00899	2.7
74.02488	1.7
75.00867	57.7
89.02420	4.1
98.90710	1.3
101.02428	1.6
103.00365	100.0
104.03532	18.8
113.02422	1.7
119.03501	2.1
133.01453	1.6
179.05540	2.3
190.79385	1.2
229.13426	1.4
318.71948	1.4
341.10742	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	445.0773
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
57.03456	0.4
59.01138	0.4
59.01383	5.3
63.02386	1.6
63.43988	0.5
65.00317	3.9
70.25330	1.5
71.01373	1.5
83.01382	3.6
83.98833	0.4
85.02921	1.6
89.02437	1.5
93.03448	1.4
101.02432	0.8
105.57837	0.5
107.01385	7.7
112.32892	0.5
113.02444	0.5
115.57508	0.5
117.03438	0.9
119.05084	0.5
121.02962	0.6
123.04487	0.5
124.01646	0.6
125.02448	6.0
133.02913	1.1
135.04471	1.1
137.02502	0.5
145.02927	2.2
147.04477	1.6
149.02357	0.9
151.00369	27.6
152.00862	1.0
153.01910	1.2
159.04475	0.9
161.02432	6.8
162.03242	1.0
163.00356	0.6
163.04007	4.8
167.04974	0.5
169.01378	1.8
171.04436	0.6
173.02411	0.6
173.04625	2.7
173.05928	0.7
174.03169	0.6
174.04837	0.6
175.03978	2.0
177.01985	0.4
178.99857	13.3
180.00220	0.6
183.04544	0.8
185.02437	1.0
187.00346	1.1
187.04008	0.9
189.01944	3.7
190.02736	0.5
191.03484	2.7
191.05579	1.0
192.00551	0.8
193.01366	1.2
199.03992	0.8
201.01939	0.9
201.05621	0.6
203.03505	2.6
209.11765	0.6
211.03989	1.4
213.05508	0.6
217.01314	0.8
217.05006	0.6
219.02824	0.8
221.04489	0.9
223.04071	0.9
225.05455	0.7
227.03508	2.2
229.01399	0.9
229.04951	0.6
231.03046	1.0
239.03532	0.9
241.01517	1.0
241.05017	1.4
242.02167	0.6
243.02884	0.8
245.00853	0.7
245.04556	1.1
247.02464	0.8
251.03502	1.3
253.05057	0.6
255.02940	1.0
256.03760	0.7
267.02890	1.8
267.58853	0.5
269.04510	2.1
270.01764	1.0
271.02371	1.7
273.04349	0.6
279.02896	1.2
280.03781	0.7
283.02478	1.2
284.03253	1.0
285.04044	1.4
295.02417	9.7
296.03061	2.3
297.04044	7.2
298.01123	1.3
298.04181	0.5
299.01831	2.0
300.02722	1.2
301.03503	1.7
309.04230	0.6
311.02112	2.5
311.05212	0.9
312.02655	0.9
313.03473	7.7
314.03915	0.6
323.01920	9.0
324.02551	1.2
325.03513	0.8
327.01498	7.8
327.05081	0.9
328.01657	1.0
341.02975	23.5
342.03360	2.2
353.02969	0.5
355.04553	2.0
371.03909	0.8
373.05615	1.5
383.03995	0.7
445.07712	100.0
446.08090	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	444.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.9
60.01686	0.4
61.98825	100.0
67.70297	0.5
69.70673	2.7
92.91508	0.4
96.96014	4.4
98.20592	0.9
103.39743	0.4
107.17584	0.4
112.21657	0.4
152.99600	0.7
231.14331	0.6
286.06009	1.1
287.05521	0.7
294.52869	0.4
299.01996	0.6
311.22345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.8
63.02379	2.0
65.00340	1.3
69.59219	7.0
83.01392	1.1
83.23477	1.0
95.01398	0.9
95.03056	0.9
95.70562	1.0
96.95975	1.3
98.19779	1.8
107.01379	3.8
118.98065	1.6
120.02213	0.9
133.02939	1.4
142.86667	1.1
143.04932	1.0
151.00366	8.0
158.03708	3.3
161.02448	3.5
161.53082	1.1
169.01395	1.1
170.03783	1.1
171.04454	2.8
173.04434	1.1
178.99841	3.4
183.04459	1.5
186.03203	7.3
187.03984	1.1
189.01945	2.3
192.00620	1.3
198.03224	1.8
199.04012	3.7
201.01866	2.1
203.03551	1.7
209.11885	2.1
213.01855	1.3
214.02696	12.7
215.03386	3.5
216.00607	3.5
217.01363	1.4
227.03462	2.7
237.65350	1.0
241.01404	66.5
242.02133	33.3
243.02951	11.3
245.00896	29.4
246.01358	2.2
251.40999	1.2
253.30925	1.0
255.02977	2.0
270.01669	70.5
271.02423	71.3
272.02704	4.7
273.00558	1.2
274.00974	1.3
283.02216	1.5
298.01157	37.1
299.01941	76.0
300.02304	5.6
301.03647	1.6
311.01883	2.4
313.03333	1.6
341.02881	2.3
417.08420	3.9
445.07718	100.0
446.08087	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	444.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66719	0.6
57.03440	2.2
59.01373	25.5
60.01708	2.5
60.99295	0.8
61.98816	1.0
67.01888	6.3
68.02223	1.3
69.03445	1.1
69.64645	2.2
69.65052	1.2
70.08247	0.5
71.01373	4.8
72.97461	0.6
72.99304	0.6
73.02974	0.6
75.58316	0.5
81.03445	1.5
83.05017	1.3
85.02924	2.6
87.00843	1.2
93.03448	32.9
94.03783	11.0
95.60510	0.5
98.19894	1.0
99.04529	1.5
101.02444	0.6
109.02929	1.7
111.00877	0.9
111.04506	6.3
112.01191	0.6
112.04819	2.2
113.02438	0.7
124.94671	0.5
127.03992	0.8
135.04596	0.5
137.02438	5.3
138.02757	3.2
138.03676	0.5
151.00220	0.6
155.03488	6.5
156.03809	2.4
165.12790	0.7
166.13133	1.3
173.04524	100.0
174.04865	49.2
175.04984	4.4
191.05592	11.2
192.05957	5.8
207.13931	1.6
208.14236	2.3
209.11835	2.8
210.12112	2.6
211.13338	2.2
214.26671	0.5
224.13995	0.5
225.15210	0.7
226.15256	1.2
241.01399	1.0
252.13087	1.0
267.59802	0.6
269.13901	18.9
270.01642	0.6
270.14243	37.1
271.02429	1.6
271.15256	2.9
298.01218	1.1
299.02020	1.3
300.02515	0.6
301.03436	2.4
426.18594	0.6
444.19501	55.7
445.07794	2.9
445.19922	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	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59349	0.8
57.51371	0.8
59.01376	100.0
60.01701	0.9
60.99881	0.7
61.98818	1.9
62.42037	0.8
69.51281	2.2
69.51686	2.9
76.28699	0.7
78.95934	0.8
88.74020	0.8
89.03733	0.7
96.96011	2.8
98.19843	0.9
102.06848	0.8
111.23427	0.7
158.64551	0.9
271.04126	1.9
285.05710	4.6
291.19720	3.8
309.20804	4.3
383.12872	3.9
384.13812	0.8
443.27698	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	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81645	0.3
59.01376	100.0
59.42408	0.3
60.01705	0.7
61.98832	0.8
69.54593	0.8
69.55027	1.2
86.83005	0.3
89.52447	0.3
142.94351	0.3
149.91141	0.3
164.19742	0.3
165.12975	0.3
166.08240	0.3
185.17720	0.3
209.11818	0.7
210.65224	0.3
278.53134	0.3
291.19669	2.4
309.20676	4.1
310.21118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88277	0.3
50.90112	0.3
53.26538	0.3
54.60893	0.3
57.01590	0.3
59.01376	100.0
59.51360	0.3
60.01721	0.8
61.98826	0.4
66.50783	0.3
71.62943	0.5
89.02432	0.6
91.03994	2.1
96.96003	0.6
98.46462	0.3
101.02446	0.4
109.06628	0.9
111.08154	1.0
119.46798	0.3
141.02989	0.4
159.57759	0.4
185.11768	0.3
197.11794	3.3
207.10234	2.7
211.13358	0.4
253.09105	0.4
291.19611	3.6
309.20697	6.8
310.21173	0.7
314.59689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.63397	0.4
60.01720	0.9
61.98830	1.3
67.60648	0.4
69.62061	0.9
69.62481	1.9
71.01383	0.5
74.03030	0.4
78.44069	0.4
78.95932	0.5
89.02453	0.9
91.03995	5.1
96.96011	4.4
98.20634	0.8
99.92605	0.6
101.02444	0.6
109.06590	1.6
111.08146	2.2
115.83557	0.4
115.92236	0.4
116.92867	0.7
121.02949	0.9
163.11267	0.6
169.12343	0.5
197.11824	5.4
199.13469	0.5
207.10194	2.5
211.13364	1.2
250.62791	0.4
253.09230	1.0
263.20227	0.6
291.19595	4.9
309.20700	15.0
310.20978	0.9
398.87302	0.4
443.24417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01737	0.5
61.98824	1.5
70.12203	0.7
70.12598	1.1
71.01368	2.7
75.00872	0.6
76.81548	0.4
85.02953	0.5
89.02453	3.1
92.40491	0.4
96.96008	4.9
98.21141	0.4
101.02437	1.2
113.02465	1.2
119.03500	1.4
173.04549	0.4
179.05754	0.6
301.91318	0.4
413.18723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58920	0.8
64.44837	0.8
69.32878	7.1
74.99039	1.1
81.52066	0.7
121.43280	0.9
124.16029	0.8
131.40816	0.7
159.08434	4.0
161.06377	1.8
171.09102	0.9
210.47717	0.8
277.07498	2.2
288.70639	0.8
343.12320	1.1
345.13889	1.1
357.13730	2.1
359.15314	100.0
360.15509	11.7
427.21558	48.1
428.21799	8.7
443.19183	1.2
443.24765	10.7
444.24915	2.1
462.29404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91831	0.7
59.01374	100.0
60.01693	1.3
61.98816	3.0
69.62346	5.2
71.01374	1.7
74.29778	0.8
89.02415	1.1
91.04018	4.2
92.92800	1.4
93.03481	0.8
94.67567	0.7
96.96000	2.3
101.46324	0.9
109.06562	2.5
111.08133	1.9
113.73089	0.7
118.29041	0.8
135.04544	1.0
163.11261	1.2
169.12247	1.3
173.04518	5.1
197.11816	7.3
207.10129	6.2
211.13310	1.4
249.73817	0.8
291.19632	8.3
309.20648	16.8
310.21045	1.9
442.67474	1.9
443.17926	2.1
443.26413	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	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.14268	0.2
57.03431	0.5
59.01090	0.4
59.01376	5.1
60.99287	0.8
61.98824	0.2
65.03963	0.3
67.01879	2.2
69.03457	0.7
69.57549	1.2
71.01368	1.8
72.97516	0.2
73.02934	0.6
74.33730	0.2
74.99090	0.2
81.03451	0.6
83.01402	0.2
83.05033	0.8
85.02944	9.2
87.00877	3.5
87.56744	0.1
93.03449	15.7
94.03785	0.4
95.01357	0.2
96.32291	0.2
99.00856	0.2
99.04517	0.6
101.02427	0.2
109.02935	1.2
109.06587	0.2
111.04507	2.6
113.02452	0.5
118.98060	0.2
120.18082	0.1
127.03988	2.1
129.01926	0.3
137.02434	0.6
153.01955	0.2
155.03453	0.7
165.12849	0.4
171.02972	0.6
173.04530	9.9
174.04857	0.4
178.99832	0.3
188.45784	0.2
191.05589	100.0
192.05916	3.0
207.13872	0.5
209.11755	0.4
217.19940	0.2
256.10950	0.2
269.13898	3.0
270.14267	0.2
383.17041	0.4
407.42999	0.2
425.18198	0.3
443.19165	44.0
444.19455	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01372	20.7
60.99288	0.8
67.01885	5.5
69.03433	1.4
69.68761	2.5
69.69109	0.3
69.77646	0.3
71.01379	4.1
77.85686	0.4
81.03497	0.6
83.05026	1.3
85.02940	1.7
87.00877	1.1
93.03452	31.8
94.03793	0.6
99.04504	1.0
100.77219	0.4
105.25352	0.4
108.02190	0.5
109.02949	1.3
109.06563	1.1
111.00864	1.2
111.04511	7.3
113.02430	0.7
127.03992	1.3
137.02412	5.4
155.03477	5.5
157.23354	0.4
165.12805	2.5
171.02972	0.4
173.04532	100.0
174.04865	3.4
189.12755	0.7
191.05602	28.8
192.05888	0.9
200.90254	0.4
207.13924	3.2
208.14111	0.4
209.11829	4.2
225.14955	1.4
235.36972	0.4
237.15721	0.4
251.12851	1.9
269.13916	35.2
270.14258	2.5
424.52454	0.4
443.19159	31.0
444.19528	2.7
461.01532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63063	0.6
55.01865	2.3
57.03444	3.7
58.00603	0.8
59.01376	100.0
60.01706	0.8
61.98814	1.7
67.01896	1.6
71.01379	34.1
71.63203	1.2
72.01729	0.7
72.99310	1.6
73.02941	20.2
75.00829	0.9
78.95903	1.8
81.03493	0.9
83.01378	5.7
83.05023	0.8
85.02946	17.8
87.00883	3.0
89.02437	6.9
93.03455	5.2
95.01384	2.5
96.96008	1.3
97.02954	1.5
98.02432	1.1
99.00880	9.7
101.02440	29.8
109.02948	1.5
109.06586	0.8
110.98518	1.2
111.00873	0.8
111.04488	0.8
112.01650	1.0
113.02438	17.6
119.03481	0.7
124.92544	0.8
125.02426	2.5
129.01984	1.1
130.08679	1.1
131.03542	1.3
132.02199	2.2
134.03725	3.1
137.02417	1.2
143.03456	3.0
153.01910	1.0
155.03455	1.6
159.02983	3.9
160.01637	11.6
161.04536	14.7
171.10181	1.2
173.04538	17.6
175.03990	15.7
183.99265	0.7
191.05629	4.9
193.05067	4.3
203.07114	1.4
251.09158	2.7
269.10275	21.9
269.13513	1.7
270.10492	1.7
311.11197	5.7
320.27728	0.8
383.13306	1.8
401.14462	41.9
402.14789	3.6
408.21045	0.9
443.15414	55.8
444.15588	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	443.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63063	0.6
55.01865	2.3
57.03444	3.7
58.00603	0.8
59.01376	100.0
60.01706	0.8
61.98814	1.7
67.01896	1.6
71.01379	34.1
71.63203	1.2
72.01729	0.7
72.99310	1.6
73.02941	20.2
75.00829	0.9
78.95903	1.8
81.03493	0.9
83.01378	5.7
83.05023	0.8
85.02946	17.8
87.00883	3.0
89.02437	6.9
93.03455	5.2
95.01384	2.5
96.96008	1.3
97.02954	1.5
98.02432	1.1
99.00880	9.7
101.02440	29.8
109.02948	1.5
109.06586	0.8
110.98518	1.2
111.00873	0.8
111.04488	0.8
112.01650	1.0
113.02438	17.6
119.03481	0.7
124.92544	0.8
125.02426	2.5
129.01984	1.1
130.08679	1.1
131.03542	1.3
132.02199	2.2
134.03725	3.1
137.02417	1.2
143.03456	3.0
153.01910	1.0
155.03455	1.6
159.02983	3.9
160.01637	11.6
161.04536	14.7
171.10181	1.2
173.04538	17.6
175.03990	15.7
183.99265	0.7
191.05629	4.9
193.05067	4.3
203.07114	1.4
251.09158	2.7
269.10275	21.9
269.13513	1.7
270.10492	1.7
311.11197	5.7
320.27728	0.8
383.13306	1.8
401.14462	41.9
402.14789	3.6
408.21045	0.9
443.15414	55.8
444.15588	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	441.2489
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01873	0.3
57.03440	0.3
59.01375	100.0
60.01712	1.1
61.98829	0.6
69.27087	0.4
69.27438	2.3
71.01378	5.9
72.99315	0.2
73.02939	2.1
83.01401	0.6
85.02950	2.1
87.00884	0.3
89.02429	2.3
93.03461	0.4
95.01395	0.3
99.00913	0.6
101.02438	2.7
113.02448	2.5
119.03538	0.7
123.69720	0.2
125.02437	0.3
135.33691	0.2
143.03525	0.5
161.04533	1.4
166.15208	0.2
173.04498	1.1
179.05670	0.3
182.34921	0.2
191.05614	0.4
253.39502	0.3
399.24063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.8
59.01376	53.6
61.98822	2.4
63.31007	0.7
70.99438	1.7
71.01370	5.1
71.02820	0.7
73.02940	3.8
78.95911	1.4
83.01375	1.1
84.95107	1.2
85.02941	1.7
87.00859	1.7
87.04554	0.7
88.04032	0.7
89.02454	2.1
93.03445	2.0
96.95994	5.6
97.15986	0.7
99.00875	0.7
101.02433	3.8
103.67992	0.8
107.01388	1.2
111.04504	1.0
113.02422	1.5
113.19840	0.6
118.98088	1.6
119.01313	0.7
119.03506	1.4
135.00848	1.6
135.04536	0.8
138.05511	0.9
138.06897	1.0
138.46751	0.7
139.07648	0.8
151.07610	0.9
153.09204	5.6
161.04553	1.7
163.00389	5.4
165.09129	1.2
173.04539	3.4
190.99844	44.2
191.05574	5.1
192.00174	2.2
193.05019	1.1
200.21138	0.7
201.11273	1.3
202.11591	1.1
203.10730	1.5
206.02185	63.6
207.02512	2.6
209.06052	0.9
209.11865	1.2
210.12105	1.4
211.83389	0.6
221.04530	100.0
221.11758	5.1
222.04875	6.3
227.07114	2.9
239.12959	0.8
253.04808	0.9
271.06018	0.9
281.13794	1.1
309.19543	0.7
339.98105	0.7
443.18805	4.0
443.25381	1.9
444.24857	1.5
452.74692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21799	0.3
58.00595	0.4
59.01376	100.0
60.01722	0.6
61.98819	0.8
69.03443	0.3
70.72073	0.3
71.01378	10.8
71.01758	0.6
71.59078	0.3
72.99295	0.7
73.02940	8.5
73.03335	0.5
83.01385	2.3
85.02958	2.2
87.00907	0.6
89.02437	5.5
93.03444	1.6
95.01382	0.7
96.96009	0.4
97.02956	0.4
101.02434	9.6
111.00876	0.4
111.41029	0.3
113.02441	6.1
119.03473	2.2
125.02448	0.4
131.03531	0.6
135.98468	0.3
137.02444	1.8
143.03502	1.0
149.04572	0.8
155.03566	0.3
161.04485	1.5
173.04675	0.4
179.05669	0.6
399.24072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09010	0.4
59.01375	100.0
60.01690	0.7
64.45776	0.5
69.63095	3.2
78.18633	0.5
188.65738	0.5
209.11890	0.7
245.19151	0.8
289.18060	5.4
305.66479	0.5
307.19101	4.9
316.98611	0.7
397.04379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46030	0.2
55.55107	0.2
57.49321	0.2
58.88001	0.3
59.01376	100.0
60.01709	1.0
69.62444	0.6
69.62856	1.3
98.20538	0.5
209.11801	0.4
217.00334	0.5
225.76942	0.3
245.19147	0.5
289.18066	3.4
290.18655	0.3
307.19119	3.2
308.19846	0.4
349.05798	0.3
419.00037	0.3
420.08511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01376	14.0
60.01715	0.5
60.99297	0.7
61.98813	0.7
65.03947	0.3
65.64514	0.3
67.01881	4.7
67.63815	0.3
69.03446	1.1
71.01378	4.6
71.04986	0.3
71.58895	0.4
73.02932	0.9
78.95884	0.5
79.95740	0.3
81.03448	1.1
81.50964	0.3
82.95408	0.4
83.01388	0.4
83.05019	0.9
85.02940	1.1
87.00861	0.7
89.02441	0.5
93.03449	25.2
94.03794	0.5
95.01341	0.4
96.95987	1.4
97.06564	0.3
99.00855	0.4
99.04506	0.7
101.02421	1.1
108.02187	0.4
109.02938	1.0
111.00878	1.1
111.04501	4.8
113.02444	0.5
121.02944	3.3
127.03999	0.5
135.88155	0.3
137.02441	4.5
152.99593	0.3
153.09193	1.1
155.03503	4.4
173.04529	100.0
174.04872	3.0
179.03345	0.3
179.10747	2.4
181.07205	0.5
191.05595	3.7
203.10732	0.4
209.11839	1.2
215.06964	0.4
223.13405	0.3
227.12782	0.7
250.51801	0.3
267.12894	0.7
267.15973	13.1
268.16275	0.9
331.20032	0.4
354.12244	0.3
405.21490	0.5
441.21286	14.5
442.21280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03430	1.9
59.01375	39.2
61.98829	3.8
65.53318	0.7
69.90454	3.8
71.01377	26.9
72.99293	1.9
73.02940	9.9
78.95895	1.9
82.95401	6.1
83.01388	6.2
85.02947	12.6
87.00868	1.7
89.01921	0.7
89.02439	11.8
93.03439	2.5
95.01389	0.9
97.02918	1.0
98.19848	0.8
99.00867	3.4
101.02436	27.1
111.00861	2.5
111.04480	0.8
112.17992	0.7
113.02440	8.0
115.03974	0.9
119.03498	1.3
125.02380	1.6
131.03499	9.2
137.02422	0.8
143.03462	1.2
149.04494	2.2
152.99522	0.8
159.02969	1.3
161.04553	5.5
173.04520	7.6
191.05580	4.5
229.25266	0.7
233.06563	1.1
249.13403	27.2
250.13852	1.2
267.60574	0.8
375.03873	0.8
381.17606	100.0
382.13663	0.9
382.18051	8.3
394.44769	0.8
406.70178	1.0
441.17358	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	441.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81181	3.7
59.01379	35.3
61.98833	36.4
67.01868	7.0
71.01366	20.3
71.62067	4.8
73.02925	6.5
75.00866	3.9
78.95898	9.9
85.02946	12.6
87.00871	65.0
88.00394	7.7
88.04033	4.3
88.98796	18.5
89.02438	10.5
93.03453	20.2
96.96008	53.6
96.96942	5.4
97.02927	4.4
98.95592	17.8
101.02473	9.9
119.81681	4.1
129.66026	4.6
134.03763	6.2
135.04488	5.0
135.44089	4.3
139.47150	4.7
140.37154	4.1
145.06154	5.2
147.04524	4.8
150.03094	4.3
173.04533	61.2
191.05568	30.2
198.47214	4.5
214.04826	5.0
221.01054	4.5
253.04509	7.2
267.08691	5.5
361.71097	4.4
405.17511	10.4
441.19086	100.0
442.19040	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	441.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01376	20.5
60.99304	0.9
61.85233	0.3
67.01886	4.3
69.03452	0.8
69.76649	1.1
69.77059	0.5
71.01379	3.3
72.31947	0.3
81.03460	1.1
83.05032	1.6
85.02945	2.7
87.00868	1.6
87.47503	0.3
93.03450	28.5
94.03800	0.6
95.01369	0.3
95.74256	0.2
99.04517	0.4
109.02942	1.2
111.00857	0.8
111.04513	5.5
113.02450	0.6
127.04002	0.8
137.02425	4.8
155.03493	5.4
161.13341	0.7
163.11301	0.4
173.04529	100.0
174.04893	2.9
191.05597	22.0
192.05928	0.5
207.10233	0.3
223.13358	16.8
223.82198	0.3
224.13724	1.1
267.12335	8.1
268.12714	0.6
359.21082	0.3
385.92081	0.3
441.17612	21.2
442.17834	2.0
468.26581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80929	0.3
59.01373	1.8
61.98822	1.9
69.81265	1.6
71.01362	0.7
78.95898	7.8
79.95739	2.5
89.02438	0.3
93.03450	0.4
96.96004	100.0
96.96918	13.3
97.95931	0.5
98.95597	3.0
98.96247	0.4
98.96374	0.3
99.00771	0.3
99.99491	0.3
115.92040	0.5
134.03728	2.6
137.06071	0.5
149.06071	1.5
173.04524	1.3
179.03407	0.4
181.05086	2.0
191.05522	0.9
193.05060	1.0
235.15120	0.4
237.00958	0.4
267.08698	2.2
279.01901	0.6
286.96548	0.3
343.10336	1.4
362.56058	0.3
381.04837	1.0
441.19147	1.7
449.18338	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	441.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72449	0.3
57.03445	1.1
58.13589	0.3
59.01376	16.3
65.54438	0.3
67.01883	4.7
69.03466	1.4
69.48271	2.0
71.01376	3.6
71.05022	0.3
71.71449	0.4
73.02943	0.3
81.03456	1.1
83.05026	0.9
85.02940	2.3
87.00880	0.9
93.03452	27.8
94.03810	1.0
98.20649	0.5
99.04476	0.4
109.02952	0.9
111.00902	1.1
111.04510	4.6
113.02450	0.3
115.03979	0.3
123.39279	0.3
127.04014	1.0
137.02440	4.0
154.27483	0.3
155.03494	5.1
159.59996	0.3
173.04530	100.0
174.04897	3.8
191.05598	17.2
192.05930	0.7
205.12332	0.4
223.13368	11.5
224.13705	0.6
229.34285	0.3
267.12332	6.7
268.12598	0.4
272.43515	0.3
290.79648	0.3
441.11401	0.7
441.17566	13.4
442.17950	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	440.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63880	0.4
57.26913	0.4
59.01377	31.1
60.01704	0.4
61.98829	100.0
70.44544	0.6
70.44901	0.8
71.01385	1.4
73.02968	1.0
74.91876	0.3
81.22803	0.4
83.01419	0.6
85.02975	1.1
90.46835	0.3
93.03460	1.1
99.00871	0.4
101.02448	1.5
111.00888	0.7
112.98583	0.6
113.02447	0.7
128.67549	0.4
130.89377	0.4
137.02469	1.1
138.02768	0.5
161.04651	0.4
173.04510	0.9
173.60594	0.3
178.02647	0.3
191.05638	0.7
226.33469	0.4
232.66812	0.3
246.95883	0.3
253.08507	0.5
254.09085	1.1
291.18192	2.7
293.55579	0.4
333.19205	0.8
440.14505	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.9
71.01376	4.1
73.02940	3.9
74.41004	1.7
85.02938	3.8
89.02429	3.3
90.00088	1.6
92.98997	1.6
94.00491	1.5
101.02438	9.3
125.23642	1.8
131.03455	2.6
149.64870	1.5
161.04538	20.9
277.21698	100.0
278.21976	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	439.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79272	0.2
51.97391	0.2
55.01863	0.5
57.03436	0.3
58.00579	0.4
59.01374	100.0
60.01706	0.8
65.86016	0.2
66.71569	0.2
69.39771	1.3
69.40178	0.4
71.01374	6.2
72.99306	0.4
73.02938	1.3
83.01391	0.8
85.02936	1.7
87.00867	0.3
89.02437	4.5
95.01404	0.4
99.00872	0.4
101.02435	3.6
111.00893	0.6
113.02436	2.7
119.03498	2.1
131.03482	0.2
133.03149	0.2
136.39536	0.2
143.03494	0.4
153.24864	0.2
161.04533	1.7
170.67598	0.2
173.04559	0.2
173.61926	0.3
179.05603	0.5
193.88045	0.2
217.15921	0.2
310.93466	0.2
393.03149	0.3
397.22183	2.5
439.14169	0.7
440.14688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01702	0.9
61.98828	1.3
69.03451	0.3
69.44125	1.9
71.01381	8.1
72.99300	0.4
73.02946	6.2
83.01391	1.5
85.02962	1.5
87.00892	0.5
89.02438	5.1
93.03481	0.7
96.84187	0.2
96.96000	2.7
96.96961	0.3
97.02960	0.4
99.04582	0.2
101.02440	7.2
101.03072	0.4
111.18311	0.2
113.02436	3.2
119.03530	1.8
125.02470	0.3
131.03569	0.4
135.04532	0.6
137.02478	0.3
143.03529	0.6
149.04630	0.3
161.02412	0.3
161.04552	1.1
173.04575	2.7
179.05635	0.9
191.05603	0.6
203.10910	0.3
217.15921	0.3
235.13380	0.4
323.16617	0.6
351.16241	0.5
377.34171	0.3
397.22672	0.5
439.14127	0.4
439.23279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05264	0.3
57.03436	0.3
59.01374	100.0
59.36152	0.2
60.01718	0.8
61.98829	1.4
62.38739	0.2
70.67563	0.8
71.01370	3.4
73.02952	1.5
73.57804	0.3
83.01414	0.4
85.02937	2.4
89.02452	0.5
93.03468	0.8
96.96001	2.7
99.00903	0.5
101.02431	3.1
101.31763	0.3
113.02457	1.1
119.05032	1.0
133.02954	0.5
134.03735	0.8
135.04579	0.4
137.02431	0.5
147.04488	0.4
161.04532	1.9
173.04564	1.0
178.02730	0.8
179.03510	0.3
187.13429	0.3
191.05667	0.4
226.06163	0.3
251.07066	0.3
253.08650	1.5
275.09137	0.4
279.06638	0.4
306.07556	0.7
379.21094	0.5
397.22153	2.3
439.14059	3.2
439.23456	1.5
440.14389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57376	0.6
59.01377	6.7
59.42406	0.6
61.98826	5.0
66.21070	0.6
69.76694	3.2
71.01377	2.5
72.99316	1.0
73.02922	0.5
78.95902	3.7
79.95734	2.4
84.95084	0.7
85.02924	1.4
87.00838	0.6
89.02431	1.4
90.83412	0.5
93.03455	1.0
95.57751	0.5
96.96004	100.0
96.96896	5.7
98.95572	1.9
101.02441	1.1
113.02444	0.8
115.04037	0.7
119.33187	0.6
135.04521	3.9
143.07149	0.8
149.02396	0.8
150.03212	0.8
161.02408	0.6
161.04541	0.7
165.05516	1.2
173.04471	2.8
179.03496	4.2
180.04214	0.8
191.05582	2.6
192.05911	0.6
195.06569	1.9
217.37675	0.7
271.78171	0.6
341.08795	2.3
347.95242	0.6
379.19803	0.9
397.16772	0.8
439.17407	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	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25809	0.2
57.03429	0.2
59.01375	100.0
60.01708	1.0
61.98829	1.2
61.99106	0.2
69.03474	0.3
70.82477	0.2
70.82812	0.5
71.01376	4.5
72.99335	0.2
73.02940	1.6
78.95879	0.3
83.01402	0.6
85.02944	1.8
87.00883	0.4
89.02460	0.8
93.03437	1.3
96.96009	5.7
96.96964	0.4
98.65192	0.2
99.00893	0.6
101.02432	3.2
103.63992	0.2
109.02959	0.3
111.00856	0.2
111.04527	0.3
113.02439	1.5
125.02613	0.2
135.04544	0.2
137.02516	0.2
143.03539	0.3
159.03052	0.2
161.04562	1.6
161.39702	0.2
173.04500	2.9
173.05759	0.2
174.04869	0.3
175.05089	0.2
191.05614	1.0
192.05940	0.2
193.05121	0.3
249.31332	0.2
251.07274	0.3
258.30713	0.2
301.85898	0.2
379.21402	0.6
397.22272	2.5
439.13983	0.6
439.23682	0.4
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
59.01386	0.4
62.96416	0.2
67.15556	0.2
67.85715	0.2
70.74134	0.8
72.41537	0.3
78.95898	45.3
79.95726	0.9
96.96004	39.0
96.96953	100.0
98.75421	0.3
108.77940	0.3
118.26270	0.3
188.36574	0.3
201.35651	0.3
224.14038	0.3
351.18103	0.3
356.21051	0.3
439.08536	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36708	0.3
68.55367	0.3
71.31730	0.6
78.95899	39.5
79.95729	1.7
80.84991	0.3
90.75945	0.4
96.96003	100.0
96.96947	88.8
191.52798	0.3
235.79323	0.4
235.95386	0.3
235.97758	0.3
439.08466	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89387	0.3
53.23423	0.3
67.19485	0.3
69.99124	1.2
69.99541	0.6
73.73991	0.3
78.95897	49.0
79.95734	1.0
82.41356	0.4
96.96005	57.6
96.96950	100.0
98.19930	0.4
122.05013	0.3
123.62267	0.3
260.96921	0.4
261.54416	0.4
439.08508	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23399	0.2
58.68468	0.2
71.18494	0.5
73.20142	0.2
78.95899	45.8
79.95721	0.7
87.13541	0.2
89.02402	0.2
95.73270	0.2
96.96001	26.5
96.96954	100.0
104.62726	0.3
116.08780	0.2
191.25430	0.2
256.11908	0.2
280.92599	0.2
405.96973	0.3
439.08340	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	439.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75169	0.2
59.01373	1.1
61.98813	0.4
69.66497	1.2
71.01365	0.4
78.95898	2.8
79.95732	2.6
85.02942	0.2
86.81997	0.2
89.02435	0.3
93.07572	0.2
96.96001	100.0
96.96883	4.4
97.25362	0.2
97.95950	0.2
98.19933	0.3
109.06609	0.2
110.64718	0.2
134.03758	0.3
135.04512	5.3
137.02466	0.3
148.76167	0.2
150.03171	0.9
153.81090	0.2
165.01884	0.5
165.05537	0.9
173.04501	0.3
179.03471	6.8
180.04016	0.4
191.05585	0.6
195.06596	1.9
277.00430	0.5
341.08698	3.0
342.09003	0.3
370.09439	0.3
379.03461	0.7
391.13959	0.3
439.17056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30449	0.2
70.80500	0.6
71.22575	0.2
78.95898	14.9
79.95732	1.8
96.96008	100.0
96.96949	31.4
129.68848	0.2
236.17101	0.3
240.81949	0.2
344.16934	0.2
439.08511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66203	7.1
60.41589	6.8
61.98828	100.0
70.57326	20.0
113.48502	7.1
126.57860	6.3
218.09665	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	438.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.9
61.98824	100.0
69.64655	0.7
69.65063	0.8
69.95148	0.2
71.01383	0.8
73.02918	0.3
89.02435	0.7
91.29636	0.2
91.45653	0.3
96.96014	0.7
101.02459	0.9
113.02435	0.3
119.03471	0.3
173.04590	0.5
191.05681	0.3
204.39499	0.3
218.48505	0.2
327.87622	0.3
375.20151	6.7
376.20660	0.6
390.21768	0.3
425.73584	0.2
443.01434	0.3
443.77438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03425	0.9
58.00572	0.6
59.01376	54.5
60.01696	1.0
61.98811	0.9
70.83685	1.1
70.84018	0.6
71.01379	12.1
73.02934	5.3
83.01387	2.9
83.52485	0.6
85.02947	6.6
86.00101	1.0
87.00861	1.2
89.02460	1.4
93.03448	0.9
95.01376	0.8
97.02957	0.6
99.00871	2.3
101.02437	13.1
111.00876	1.7
113.02434	5.0
117.74503	0.6
119.05061	0.5
139.13832	0.6
152.99506	0.6
161.04503	2.0
170.50713	0.5
173.04518	2.2
191.05608	2.3
192.05902	0.6
215.16504	1.5
219.13792	0.8
263.12787	1.1
377.21799	6.2
378.22357	0.6
419.22842	2.9
437.23843	100.0
438.24197	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	437.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03425	0.9
58.00572	0.6
59.01376	54.5
60.01696	1.0
61.98811	0.9
70.83685	1.1
70.84018	0.6
71.01379	12.1
73.02934	5.3
83.01387	2.9
83.52485	0.6
85.02947	6.6
86.00101	1.0
87.00861	1.2
89.02460	1.4
93.03448	0.9
95.01376	0.8
97.02957	0.6
99.00871	2.3
101.02437	13.1
111.00876	1.7
113.02434	5.0
117.74503	0.6
119.05061	0.5
139.13832	0.6
152.99506	0.6
161.04503	2.0
170.50713	0.5
173.04518	2.2
191.05608	2.3
192.05902	0.6
215.16504	1.5
219.13792	0.8
263.12787	1.1
377.21799	6.2
378.22357	0.6
419.22842	2.9
437.23843	100.0
438.24197	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	437.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03445	2.4
58.00582	1.0
59.01375	100.0
60.01706	1.1
60.51106	0.4
61.98834	2.2
61.99106	0.5
64.83863	0.4
69.03453	0.7
69.24885	3.4
69.25290	1.0
71.01378	24.1
72.01708	0.5
72.16126	0.4
72.99300	1.6
73.02941	20.4
74.32916	0.5
75.00861	0.7
83.01382	6.5
85.02944	13.0
86.00105	0.6
87.00864	1.5
89.02436	5.9
93.03460	2.2
94.94286	0.4
95.01403	2.0
95.08372	0.5
96.96005	1.0
97.02953	1.8
98.20618	1.1
99.00871	7.5
101.02435	29.7
111.00874	1.2
112.01658	1.0
113.02439	10.8
117.05602	0.8
125.02415	1.4
127.87416	0.5
129.01958	0.7
131.03493	1.9
135.04503	0.6
143.03502	1.3
159.02989	2.5
161.04552	8.6
173.04530	6.5
180.51976	0.5
191.05563	2.3
197.11726	1.1
207.17561	0.5
209.11826	7.0
227.12842	4.3
245.13901	2.4
263.14981	28.7
264.15341	1.8
291.10760	1.2
305.16034	3.0
377.18088	1.6
395.19171	37.5
396.19437	3.3
437.20215	50.8
438.20432	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11114	0.5
58.00594	0.6
58.58211	0.5
59.01092	1.1
59.01377	14.4
59.56572	0.4
59.65489	0.4
61.98812	2.6
65.03963	1.0
65.25398	0.4
67.01867	0.6
69.54462	1.7
69.54896	1.9
71.01380	7.9
73.02937	0.6
75.81901	0.5
79.66576	0.4
81.03457	1.4
83.01383	0.9
83.05011	1.5
85.02923	1.4
87.00883	0.9
89.02442	7.9
93.03452	42.5
94.03788	1.1
96.95996	0.6
101.02437	4.3
101.06078	100.0
102.06388	2.4
107.78779	0.5
109.02950	2.8
111.00871	1.9
111.04533	3.3
113.02419	3.0
119.03497	3.0
121.02975	0.8
127.03990	0.8
137.02435	62.0
138.02773	1.7
143.03429	0.8
155.03497	23.5
156.03850	1.0
161.04564	1.0
173.04568	4.2
179.05577	1.0
191.05663	0.5
281.06647	0.6
317.08374	0.6
335.09799	75.2
336.10184	4.6
353.10797	0.8
437.11322	1.6
437.16592	30.0
438.16779	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	437.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06454	7.1
54.94487	5.0
57.03452	5.5
59.01375	100.0
61.98815	29.6
69.67288	15.3
69.67692	27.7
71.01384	29.2
73.02938	15.4
85.02948	19.0
87.00871	97.1
88.00403	17.4
89.02455	31.4
93.03410	11.7
96.95992	20.0
98.19785	11.4
101.02428	33.0
109.02943	12.0
109.81448	7.5
113.02457	16.6
120.01219	33.8
121.02936	11.6
134.06126	10.0
136.04053	7.9
136.07687	10.9
138.05672	8.1
161.02248	7.0
161.04614	11.8
173.04512	15.3
191.05569	29.9
201.11272	32.4
255.11343	30.9
273.12393	22.8
298.15634	9.7
299.10349	9.3
317.11279	14.8
362.65683	6.9
377.18250	13.7
401.14569	12.5
435.60071	6.1
437.11536	54.5
437.20157	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	437.1083
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
59.01090	0.4
59.01373	5.3
61.71786	0.3
61.98826	1.3
63.04850	0.4
65.03959	1.0
67.01881	0.7
70.05264	1.6
71.01368	1.4
85.02951	1.6
89.02441	0.8
91.01890	2.6
93.03449	2.7
95.01384	1.1
96.96019	2.3
98.95618	0.7
101.02445	1.0
101.06087	0.3
108.02164	6.3
109.02946	49.2
110.03252	2.0
113.02444	1.0
115.92065	1.0
116.92862	0.5
121.02947	54.3
122.03315	1.5
123.00858	1.2
133.02957	0.6
134.03735	0.7
135.00877	15.7
137.02437	0.4
143.23154	0.3
149.02419	0.4
149.06046	0.5
153.01924	13.6
163.03987	0.6
166.02679	2.2
167.03375	0.4
168.00615	0.4
173.04555	0.9
182.42122	0.4
185.06013	0.4
187.07689	0.4
189.05565	1.9
191.05588	0.9
193.05070	1.0
195.04492	0.6
198.01630	1.7
200.00874	1.4
201.11263	0.8
211.03995	0.6
213.05566	2.2
213.33061	0.3
215.03253	3.1
225.02997	0.3
230.05806	1.2
231.06601	21.5
232.06943	1.4
239.03418	0.7
255.11403	0.8
256.03690	0.6
257.04538	11.4
274.04828	1.4
275.05545	5.6
306.92139	0.4
323.55588	0.3
377.18018	0.5
419.09821	2.9
437.10831	100.0
438.11185	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	436.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64389	1.4
61.98826	100.0
71.07102	1.8
71.07436	2.1
75.71888	1.5
111.25072	1.6
345.87543	1.5
437.33701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
61.98822	0.6
68.29762	0.2
71.01382	1.1
78.95914	1.3
79.95725	2.4
85.02959	0.4
86.38683	0.2
87.00848	0.2
89.02441	1.0
93.03458	1.1
96.96006	100.0
97.95969	0.2
101.02447	0.6
101.06082	4.7
105.03453	0.3
109.02908	0.2
111.04475	0.2
113.02472	0.5
119.03533	0.5
121.02860	0.2
133.02933	0.6
137.02409	1.9
155.03485	1.4
173.04593	0.6
177.01915	12.2
178.02310	0.6
179.52478	0.2
179.92104	0.2
191.05588	0.3
232.97696	1.8
247.96455	1.4
264.37616	0.2
274.98657	3.6
275.01492	0.3
335.09811	5.1
339.07095	1.0
359.22961	0.3
377.01956	0.2
393.17630	1.5
437.03708	0.4
437.11475	0.3
437.15875	1.0
447.63876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2513
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
52.73886	0.6
56.86221	0.5
62.30749	0.6
75.56232	0.7
78.95896	52.9
95.23306	0.6
96.96944	6.8
103.02213	0.7
106.30965	0.7
140.02357	0.6
150.98026	1.8
152.99571	100.0
153.99927	0.8
171.00595	4.4
181.04233	0.6
329.69662	0.7
419.56158	0.9
435.25067	10.1
436.25479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83135	0.7
55.01851	0.9
57.03446	2.2
59.01375	100.0
60.01720	1.0
61.98824	22.8
70.82300	1.1
70.82641	1.8
71.01375	10.4
73.02934	4.3
75.00852	1.0
83.01372	1.1
85.02927	4.8
87.00847	1.1
87.04509	19.1
89.02453	2.5
89.59499	0.7
93.03442	2.1
96.95987	1.6
101.02441	3.3
103.03999	15.5
110.79325	0.8
113.02433	4.2
113.58665	0.8
118.98085	2.2
119.03498	0.9
135.04448	1.4
153.01944	0.8
161.02464	1.2
161.04497	1.9
173.04550	3.7
183.13918	6.2
187.07796	0.8
191.05621	4.1
195.13898	4.0
213.14932	74.0
214.15369	4.1
227.16621	1.5
237.14774	1.2
255.15944	1.3
315.13239	0.8
333.19000	1.5
375.19977	2.0
435.25204	1.0
457.17374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75639	0.4
59.01376	100.0
60.01728	0.6
61.98829	15.3
66.91487	0.5
70.94666	0.8
71.01382	7.4
71.01770	0.7
73.02934	4.0
76.64043	0.4
77.42732	0.5
83.01396	1.4
85.02944	2.8
87.00886	0.4
89.02435	1.1
92.84289	0.4
93.03471	1.1
95.01397	0.9
96.63363	0.4
97.02946	0.6
101.02438	4.5
113.02430	4.1
114.34531	0.4
125.06108	0.4
125.09777	0.4
127.87801	0.4
131.03511	0.7
143.03487	0.4
144.19794	0.5
149.04617	0.6
151.07698	0.9
152.08420	1.9
155.03432	0.5
161.04588	1.0
173.04532	3.6
191.05594	1.9
217.12369	1.1
218.13327	0.5
273.18652	0.8
291.19702	0.7
435.23859	11.2
436.24411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
59.01374	11.4
61.98823	1.3
65.07083	0.3
69.33656	2.4
71.01376	7.2
73.02931	1.9
73.72379	0.2
75.61548	0.2
83.01385	0.8
85.02946	4.2
87.00885	0.4
87.04506	10.0
89.02434	0.8
93.03466	0.4
95.01380	1.0
99.00859	0.5
101.02438	1.6
103.04003	100.0
104.04331	1.8
113.02436	4.8
136.05292	0.8
145.12260	0.5
151.07649	1.2
152.08406	3.7
159.04312	0.3
159.39563	0.2
161.02406	0.3
161.04553	0.6
173.04561	0.7
191.05582	0.6
215.10760	0.4
217.12276	0.8
218.13071	0.3
238.88255	0.2
247.88657	0.3
273.18610	0.3
291.19733	0.6
305.15942	0.3
307.17523	1.2
349.18723	0.4
354.16580	0.3
375.20239	0.5
417.22513	0.3
420.21805	0.4
435.23907	5.5
436.24106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75974	1.8
55.01867	1.8
56.05633	1.8
57.03425	2.6
59.01378	100.0
61.98833	36.9
69.54543	6.3
69.54984	6.9
71.01382	25.1
73.02943	8.8
80.05055	2.9
83.01398	4.5
84.95123	8.1
85.02956	10.4
87.00862	3.7
89.02448	11.8
93.03436	3.6
96.96008	8.4
99.00882	3.9
101.02435	14.1
105.37431	1.6
113.02472	9.9
119.03515	4.8
124.07626	2.9
131.03473	2.4
135.04477	1.9
137.06073	2.0
143.03502	2.9
148.04123	2.0
150.05605	2.4
161.04556	8.1
162.05576	8.2
171.10136	2.7
173.04488	7.7
173.05867	2.6
187.13353	7.7
191.05676	22.1
192.05898	2.2
199.09657	5.5
215.08252	3.1
222.04044	12.1
225.10329	2.0
241.09744	3.3
242.06850	5.2
243.07791	10.1
243.11320	2.7
257.09293	25.5
258.09656	2.2
259.10925	4.7
266.52780	1.8
269.09149	4.3
271.10876	8.8
301.08218	11.5
303.09689	2.5
303.13104	2.2
315.09778	3.2
329.11499	2.3
331.09219	2.6
331.17517	9.2
349.18536	7.9
375.16248	2.9
391.11395	28.4
391.19675	3.8
392.11719	3.8
435.09946	10.3
435.18399	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	435.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72683	1.4
59.01373	100.0
61.98834	2.6
71.01379	24.7
72.99302	2.3
73.02937	11.8
74.60877	1.3
79.95722	1.5
83.01385	3.7
85.02945	8.1
87.00880	1.7
89.02432	17.3
93.03454	4.4
96.95997	55.0
98.19801	3.0
99.00862	1.6
100.69955	1.5
101.02435	18.9
113.02435	10.1
117.96133	1.5
119.03468	7.1
135.04521	1.3
143.03419	1.8
143.95142	1.5
161.04520	4.1
171.10222	2.2
173.04555	7.0
173.05843	1.4
179.05573	4.2
180.62918	1.3
187.13307	6.0
191.05621	17.4
199.09787	7.0
203.84212	1.3
219.92584	1.3
229.90024	1.7
253.09271	2.0
313.11035	1.6
331.17648	6.9
337.09222	1.6
349.18625	18.9
350.18970	2.2
375.19952	2.0
391.19760	4.6
435.12943	2.1
435.22305	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	435.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24425	0.6
57.03438	0.8
58.00590	1.7
59.01377	100.0
60.01709	2.0
61.01796	0.8
69.03431	0.7
69.52724	1.9
69.53150	2.8
71.01379	32.7
72.99312	2.2
73.02943	26.6
75.00900	0.7
79.54022	0.6
81.03445	0.7
83.01373	4.8
85.02946	7.6
85.53355	0.6
87.00877	2.1
89.02440	31.6
94.08811	0.6
95.01395	2.3
97.02947	1.7
99.00876	59.2
100.01208	0.7
101.02434	22.1
113.02441	17.2
115.77335	0.6
119.03481	7.3
125.02481	2.1
127.77145	0.6
131.03505	8.8
143.03456	3.2
149.04539	20.0
155.03493	1.9
160.49823	0.6
161.04568	10.2
173.04521	0.8
179.05605	2.3
191.05608	24.1
192.05966	1.1
201.96515	0.6
203.05623	7.6
221.06664	1.0
233.06607	2.4
261.13446	1.3
393.17639	18.6
394.17859	1.6
435.18613	28.0
436.19092	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	435.1293
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
54.13294	0.4
54.55338	0.4
55.01879	0.6
57.03428	1.0
59.01375	35.0
61.98827	2.8
65.03976	0.5
69.25018	4.6
71.01382	4.4
72.99319	0.4
73.02934	1.8
75.00874	2.6
81.03400	0.4
83.01373	0.8
85.02940	3.0
87.00868	0.9
89.02444	0.6
93.03442	3.9
96.95979	0.9
97.39144	0.4
99.00834	0.6
101.02438	1.6
102.98585	1.1
107.05019	44.5
108.02131	0.5
108.05357	1.6
109.02937	1.6
111.04486	0.5
113.02448	0.8
116.91173	0.5
119.05093	0.7
121.02945	22.2
122.03735	29.6
123.04070	0.8
124.01660	2.4
125.02435	0.6
131.03477	0.4
135.04512	1.2
136.01653	1.1
137.02423	3.9
147.04504	0.7
149.99498	0.5
150.03185	1.9
151.03969	2.3
153.01883	0.4
154.02713	4.6
161.02267	0.6
162.43454	0.4
165.83223	0.4
173.04562	3.1
182.02219	3.8
191.05550	3.8
197.11890	0.4
210.52435	0.4
211.07617	0.6
227.07156	0.9
229.08665	61.3
230.08928	4.4
241.08514	0.4
243.19534	0.7
255.06615	1.5
271.09769	0.7
272.06903	0.8
273.07660	46.1
274.08023	3.2
292.12473	0.4
315.08905	0.5
355.17776	0.5
417.25073	0.5
435.12909	100.0
435.25500	17.6
436.13303	9.5
436.25864	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	435.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
57.03434	0.7
58.00588	1.2
59.01373	100.0
60.01714	2.1
61.01797	1.2
61.98816	1.6
69.03459	0.7
69.45120	3.8
71.01376	33.8
72.01722	0.7
72.99300	1.8
73.02938	28.8
74.76351	0.5
83.01374	4.8
85.02946	7.0
87.00884	1.7
89.02433	33.6
93.03437	1.4
95.01378	2.0
97.02954	0.8
99.00869	58.2
100.01214	1.4
101.02433	24.1
113.02438	16.6
119.03492	7.1
125.02428	2.2
131.03497	7.9
135.04553	0.9
143.03513	3.2
149.03320	0.9
149.04530	18.9
150.04907	0.6
155.03485	1.7
161.04535	8.4
164.03496	0.8
171.10413	0.5
173.04568	1.0
179.05586	2.6
191.05574	26.0
195.10312	0.7
203.05571	8.3
221.06673	1.1
233.06639	2.5
234.06989	0.7
255.37907	0.6
261.13394	1.1
311.96045	0.7
393.17587	19.1
394.17896	1.5
435.18585	30.7
436.18750	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	435.1293
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
58.36444	0.4
59.01378	25.5
61.98821	2.4
64.29634	0.4
65.03959	0.6
66.02955	0.4
69.28899	4.6
71.01368	3.1
73.02935	1.6
75.00860	1.3
83.01398	0.7
85.02936	2.5
87.00877	0.5
89.02455	0.7
93.03452	3.1
101.02430	1.2
101.77301	0.5
107.05022	44.0
108.02161	0.9
108.04511	0.4
108.05374	1.4
109.02953	1.4
113.02442	0.8
119.05054	0.5
121.02951	17.7
122.03733	27.8
123.04060	1.3
124.01643	2.1
127.07691	0.5
133.02893	0.7
135.04485	0.9
137.02444	4.0
150.03224	2.4
151.03981	2.2
153.01881	0.4
154.00009	0.5
154.02702	3.2
166.65462	0.4
173.04507	2.0
182.02199	2.4
191.05667	2.7
211.07648	0.5
229.08670	62.3
230.08971	3.8
255.06635	1.8
272.06842	0.5
273.07666	43.7
274.07953	2.5
310.70761	0.5
315.08871	0.5
352.57715	0.5
435.12921	100.0
435.25497	12.7
436.13223	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0929
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
51.69725	0.7
54.63196	0.6
55.01892	0.8
57.03437	1.7
59.01378	73.8
60.01712	1.4
61.98576	0.8
61.98833	9.2
67.01872	1.4
69.03451	3.5
70.48125	0.9
70.48500	2.3
71.01382	12.7
72.99287	2.0
73.02944	4.4
73.42155	0.6
75.00873	9.5
81.03453	1.8
83.01374	3.9
84.21800	0.6
85.02946	7.6
87.00864	3.0
89.02421	1.8
93.03448	7.8
95.01374	2.1
96.96026	1.0
97.02963	3.9
99.00841	1.2
101.02412	2.7
102.98591	1.2
107.01378	1.7
107.05021	0.8
108.02193	0.8
109.02952	1.9
111.04496	1.7
113.02417	2.4
119.05025	1.3
120.99601	2.4
121.02954	9.3
123.00873	8.2
123.04536	0.9
124.01658	20.7
125.02439	56.0
126.02796	1.6
129.43764	0.7
131.03491	0.8
133.02917	0.7
134.03705	0.8
135.04491	2.3
136.01700	0.8
137.02452	4.4
145.02864	0.8
149.02409	0.8
149.99573	38.7
151.00432	3.3
161.02457	0.7
168.00629	59.7
169.01370	6.1
173.04523	10.3
179.03450	2.1
186.48845	0.7
187.13496	0.8
191.05612	6.9
199.13426	0.8
217.08649	0.8
223.16936	0.7
223.56511	0.8
229.08583	0.7
243.19644	3.7
248.71576	0.6
273.06876	1.2
303.21561	1.0
313.05704	2.1
313.11890	2.9
349.18417	1.1
375.24094	1.2
391.19644	3.5
417.08258	3.7
417.24542	1.5
435.09192	100.0
435.25467	44.8
436.09515	10.2
436.25912	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	435.0929
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
55.01877	1.7
57.03449	2.2
59.01375	90.6
60.01702	1.3
61.98822	8.7
67.01891	1.4
69.03439	3.6
71.01378	17.5
71.63120	1.5
72.99360	0.9
73.02946	4.7
75.00864	7.7
78.95914	0.9
81.03459	1.7
83.01374	3.9
85.02950	9.3
86.00131	0.9
87.00858	2.4
89.02448	2.2
93.03454	6.0
95.01389	2.1
97.02959	3.5
99.00878	2.5
101.02446	3.4
102.98605	1.3
107.01382	2.0
108.02142	1.6
109.02918	0.8
111.04496	1.3
113.02468	2.4
116.36553	1.0
120.99660	1.8
121.02954	6.9
123.00875	7.2
124.00719	0.8
124.01647	20.4
125.02437	56.7
126.02792	2.0
131.03502	0.8
134.03687	0.7
135.04521	3.0
137.02472	3.8
143.03574	1.0
149.99573	34.6
151.00372	3.4
155.03537	0.9
161.02472	1.1
163.04016	0.7
167.03479	1.1
168.00621	59.6
169.01350	5.5
173.04539	10.1
179.03456	1.7
191.05562	8.0
197.11827	1.4
198.12093	1.5
204.18488	0.7
229.08694	1.5
243.19644	5.6
285.12344	0.9
303.21692	0.9
313.05609	2.8
313.11743	3.3
349.18484	0.9
375.23782	1.7
391.19687	2.5
393.24899	1.4
417.08090	3.4
417.24896	2.1
435.09201	100.0
435.25739	68.0
436.09473	9.6
436.26102	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	435.0927
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
55.01876	0.7
55.43128	0.4
59.01376	12.8
67.01913	0.5
69.98111	1.9
71.01376	7.8
73.02938	2.6
73.94647	0.5
75.04453	0.5
80.43468	0.5
81.03452	1.1
83.01381	1.5
85.02945	5.1
87.00871	1.0
88.04032	0.7
89.02449	1.5
93.03452	15.7
95.01354	2.3
98.19888	0.5
99.00864	0.9
99.04521	0.5
101.01842	0.6
101.02441	5.3
108.02168	55.3
109.02954	40.8
110.03288	1.0
113.02457	3.4
116.92866	1.3
119.03456	0.5
121.02953	1.6
123.00877	1.3
123.04528	0.9
135.04544	0.7
136.01680	2.3
137.02431	27.8
138.02821	1.0
138.14194	0.4
139.39137	0.4
149.02412	0.7
151.04001	1.5
152.01135	68.3
153.01930	27.4
154.02197	1.0
155.03523	0.5
155.30753	0.4
161.02440	0.8
161.04578	0.7
163.03990	1.3
165.01915	14.3
165.03229	1.0
171.10262	0.7
173.04633	0.9
173.06082	0.5
179.03487	5.7
180.04245	8.0
189.38687	0.5
191.05589	10.2
191.07269	0.6
194.05823	1.9
195.02927	0.9
195.06604	10.2
199.09790	2.0
209.08127	2.2
210.05353	0.9
214.02615	1.5
225.07645	7.9
243.06522	1.1
281.06619	4.6
315.07178	11.7
316.07654	1.1
357.09665	0.8
372.12030	0.7
387.14429	3.6
391.10410	1.5
405.21790	0.5
435.09253	100.0
436.03613	0.6
436.09634	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	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08169	0.2
59.01375	100.0
60.01708	0.8
65.25498	0.3
66.26678	0.2
69.32224	0.5
69.32621	2.0
71.01376	0.5
101.02448	0.4
162.12384	0.3
173.04556	0.4
197.11870	0.5
218.76781	0.2
286.04269	0.3
331.17825	0.2
373.13016	0.3
386.77225	0.2
433.10449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49533	2.2
55.01859	3.7
57.03450	4.9
59.01374	83.1
61.98811	12.1
67.01865	2.8
68.10595	2.3
69.03437	2.4
69.32261	9.5
69.32686	9.8
71.01377	70.4
72.99293	2.9
73.02946	24.5
81.03446	3.6
82.95399	3.0
83.01376	9.1
83.05000	3.7
84.96609	1.9
85.02949	29.8
87.00857	8.2
89.02432	20.7
93.03450	20.4
95.01372	6.9
96.96008	17.0
97.06570	3.8
99.00871	5.4
101.02431	39.5
109.02933	2.6
111.04528	4.4
111.08140	12.6
113.02424	33.3
119.03479	7.9
123.04514	2.5
125.02416	5.3
125.06051	3.1
127.04028	3.0
130.08728	6.2
133.02931	4.7
135.04510	7.9
137.02414	2.8
139.07639	31.3
141.05540	2.5
143.03470	5.0
149.09680	3.3
155.03410	3.3
159.02968	9.8
161.02368	7.6
161.04539	100.0
162.04872	3.7
167.10735	5.6
172.09737	3.7
173.04539	41.1
174.04781	2.8
179.03487	3.1
179.05591	8.5
185.08191	10.4
191.05592	42.3
191.07286	2.8
192.05933	2.3
193.08821	2.3
199.09793	2.5
205.03444	3.6
211.09721	3.5
229.01369	5.9
233.06584	19.3
238.65047	2.3
259.11807	23.3
271.05978	3.0
327.27100	2.7
336.23804	2.4
339.05075	4.1
353.08563	3.0
373.10352	2.9
373.14935	47.3
374.15167	5.0
433.16803	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	433.1135
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03437	0.6
59.01372	27.1
60.01720	0.7
61.98551	0.6
61.98829	5.8
63.02390	1.8
65.00315	4.8
71.01369	2.8
71.62440	0.4
72.96162	0.4
73.02926	1.0
83.01369	3.6
85.02934	1.4
89.02444	1.0
93.03451	8.6
95.01373	0.5
100.07652	0.7
101.02450	1.4
107.01376	9.5
108.02126	0.5
111.04501	0.5
113.02451	0.9
114.09220	0.5
119.05011	34.0
120.05361	1.2
125.02438	1.4
127.07645	1.0
129.99074	0.4
133.02899	0.4
135.04489	0.8
137.02466	0.6
145.02841	0.5
146.08188	0.7
151.00351	40.9
152.00688	1.2
155.03438	0.6
164.01122	0.6
165.01891	1.9
169.01395	1.0
173.04541	5.0
175.00320	0.9
177.01912	3.9
181.13223	0.4
185.06001	0.5
191.05597	4.8
192.05836	0.6
193.01390	0.6
197.11832	3.0
209.11972	0.5
227.07076	0.6
255.02940	1.1
271.06070	100.0
272.06387	8.5
295.06189	0.7
300.02695	5.1
301.03293	1.0
313.07083	1.5
432.29611	8.6
433.07114	2.8
433.20428	1.0
433.29861	4.8
434.29718	0.5
436.75714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0769
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.19822	0.4
59.01374	16.0
65.00311	0.6
69.28223	4.4
71.84710	0.5
96.95997	1.1
107.01394	2.2
108.02151	1.1
121.02956	0.9
135.00826	1.1
148.01640	0.8
151.00349	5.3
163.00325	1.6
164.01131	0.7
165.44769	0.4
173.23103	0.5
178.08360	0.5
178.99828	2.6
226.02623	0.9
227.03450	1.9
243.02948	8.7
244.03326	0.8
254.02194	2.1
255.02957	21.2
256.03281	1.1
271.02435	46.7
272.02945	4.0
276.89731	0.4
299.02005	1.0
300.02707	100.0
301.03369	27.4
302.03867	1.5
352.51874	0.5
433.07672	61.2
434.08032	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40335	0.5
59.01372	26.2
63.02367	0.7
65.00323	3.2
69.03427	0.7
69.62445	2.7
69.62859	1.1
71.01051	0.5
71.01386	5.5
73.02917	1.5
79.01861	1.4
81.03439	2.2
83.01382	3.2
85.02928	3.0
87.00880	0.8
88.98766	0.8
89.02431	5.1
89.60980	0.6
93.03449	7.1
95.01377	1.3
95.05003	1.1
96.23760	0.5
96.95995	1.9
97.02925	4.6
98.20596	0.7
101.02441	4.0
105.03448	2.0
107.01363	5.1
109.02936	1.0
111.04498	0.9
113.02407	2.5
119.01373	0.5
119.03497	1.8
119.05015	36.9
120.05303	1.0
121.02946	6.2
123.00822	2.2
123.04478	1.3
125.02432	11.1
133.02928	1.3
135.00926	0.6
135.04498	2.1
137.02411	3.7
143.05014	4.3
145.02928	3.6
149.02437	4.5
151.00362	10.8
153.01907	0.5
154.74440	0.6
155.03418	0.7
161.02437	1.8
161.04538	1.4
161.06073	1.6
163.00342	6.6
163.03960	1.3
164.01088	1.6
165.01913	10.4
167.03520	2.7
173.04512	3.9
177.01886	2.4
179.03485	2.2
179.05504	0.7
185.06027	1.6
187.03978	3.8
190.99728	0.8
191.03488	1.8
191.05568	4.7
193.01389	24.1
194.01689	1.1
199.07561	0.7
205.01349	1.3
207.02913	2.5
219.02974	3.0
223.02443	3.6
224.02742	0.6
227.07225	1.1
241.08630	1.4
266.63589	0.5
269.08167	2.4
271.06146	8.3
272.06473	0.7
280.78961	0.7
283.06009	2.3
284.06604	0.7
311.05368	0.6
313.07132	100.0
314.07462	7.0
325.07224	1.6
343.08176	27.1
344.08502	1.8
353.08850	1.0
355.08276	1.1
415.10367	2.5
433.11322	23.4
433.25092	2.9
434.11658	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	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.0
61.98827	100.0
64.19878	0.9
69.53869	6.6
78.95892	2.1
109.45815	0.9
152.99588	1.6
163.11136	0.9
190.31476	0.9
229.41481	1.0
285.10422	1.0
338.22180	2.3
415.24878	1.5
452.90665	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	50.6
70.04102	15.6
70.04511	26.4
74.17501	7.7
78.95898	47.7
92.79295	9.1
96.96973	8.7
98.20589	14.8
115.04001	39.5
152.99567	100.0
170.20790	8.4
220.83003	8.9
259.84097	7.5
281.95731	8.4
334.49426	8.9
431.31592	26.2
431.84842	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07040	0.3
52.43351	0.3
53.32883	0.3
54.60126	0.2
57.03439	0.9
58.00577	0.5
59.01369	2.4
59.70153	0.3
61.98813	0.7
69.03461	0.3
71.01373	0.3
73.02934	0.4
73.84864	0.3
78.95895	0.5
85.02950	0.5
87.04501	0.3
96.95982	1.0
98.95589	0.8
125.09686	0.6
127.11276	4.4
141.12805	0.4
153.50993	0.3
155.10753	0.5
157.12328	2.5
167.14366	2.1
169.12268	0.6
169.15956	1.6
181.15973	0.8
185.15450	0.7
188.80771	0.3
194.70963	0.3
197.15544	1.9
199.16946	0.5
213.14932	3.9
225.14931	1.1
227.03427	0.3
237.18578	1.9
241.14400	0.8
243.15990	7.3
244.16322	0.5
249.18488	0.3
253.18034	1.2
255.15950	0.6
255.19630	2.9
257.17502	0.4
267.19687	0.4
269.17560	0.5
271.19186	0.4
273.20688	1.1
283.19247	0.3
284.03299	0.7
285.03983	0.8
301.20410	0.4
377.30539	0.7
392.24979	0.3
395.31641	1.1
411.31067	1.1
413.32663	6.1
414.32968	0.8
429.32129	6.7
430.32391	1.1
431.33710	100.0
432.34045	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	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03442	0.9
58.00599	0.8
59.01376	100.0
60.01718	0.9
61.13712	0.4
61.98833	0.9
67.01896	0.6
69.03466	0.9
71.01379	25.4
71.63800	0.6
72.01732	0.4
72.99315	1.0
73.02943	24.4
75.00883	0.8
78.30737	0.3
79.95760	0.5
80.96510	0.6
83.01379	7.6
85.02940	4.7
87.00904	1.1
89.02444	7.5
93.03461	1.7
95.01400	0.9
97.02924	0.5
99.00867	0.8
101.02438	23.4
102.02771	0.4
111.04549	0.4
111.08160	1.6
113.02450	11.9
113.03237	0.7
114.02809	0.4
116.63805	0.4
119.03493	2.6
125.02483	1.1
130.20518	0.4
131.03510	1.6
134.03696	0.4
143.03511	1.8
149.04532	2.1
151.00395	0.8
153.09196	8.9
155.03519	0.8
161.04520	5.2
173.04500	3.4
178.99820	0.5
179.05605	0.6
187.07660	0.4
189.01955	0.5
190.02631	0.4
191.05640	2.7
203.05702	0.6
209.11987	0.6
209.15446	8.0
221.06601	0.7
225.09003	0.4
225.11649	0.4
227.16534	0.6
251.12897	1.6
255.03012	0.4
269.13968	1.7
298.01270	0.4
311.15140	0.5
313.07208	0.5
344.10294	0.8
371.16718	0.6
371.20761	4.4
372.21243	0.7
387.27869	0.6
389.21893	1.7
413.05176	0.5
431.14273	0.4
431.23529	1.8
431.28088	0.5
432.23257	0.8
432.29654	1.1
453.70035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2197
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.19892	0.2
69.34548	2.0
71.79587	0.2
78.95895	54.1
80.83102	0.2
96.96951	6.9
150.98003	1.9
152.99570	100.0
153.99884	1.6
162.68764	0.2
171.00635	4.0
188.70155	0.2
199.34000	0.2
200.96448	0.2
201.14326	0.2
222.06279	0.2
234.57359	0.2
277.21692	0.7
431.21985	6.3
432.22366	0.9
459.59647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03450	0.9
59.01375	100.0
60.01710	0.9
60.99318	0.4
61.98814	1.6
67.01885	0.8
69.03490	0.4
71.01376	7.2
71.63414	0.4
73.02940	2.1
73.38062	0.3
79.95743	0.5
80.50007	0.3
80.96512	0.8
81.03458	0.6
83.01370	0.7
83.05027	0.4
85.02945	4.2
87.00871	1.8
88.98799	0.5
89.02441	4.0
93.03456	5.1
93.03996	0.5
95.01385	0.4
96.96009	0.4
99.00890	0.9
101.02438	3.9
108.90307	0.2
111.00902	0.3
111.04527	1.0
113.02439	3.3
119.03513	1.8
125.02474	0.5
127.03961	0.3
129.01967	0.3
143.03494	0.6
159.03096	0.4
161.04552	3.9
173.04539	3.7
179.05658	1.1
191.05597	16.1
192.05931	0.7
209.15422	0.3
213.09207	1.1
225.00661	0.3
231.10371	1.1
241.01505	1.2
242.01987	0.5
245.00919	0.6
257.08182	4.3
270.01706	1.6
271.02557	0.9
298.01196	0.5
299.01941	0.6
310.11121	0.3
369.39810	0.3
371.20895	1.0
389.21967	0.4
399.09045	0.3
431.07083	2.0
431.13242	3.1
431.23032	0.7
431.31519	0.5
455.56714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21819	0.4
59.01365	2.0
60.99296	1.9
61.98818	1.1
71.01348	0.6
71.08857	0.8
72.00903	10.1
78.43548	0.4
78.95906	0.9
85.41649	0.4
87.00881	0.6
88.98798	18.0
89.02434	2.3
89.99124	0.4
93.03459	2.2
96.96001	5.7
96.96940	1.3
103.05511	0.6
109.02927	0.6
119.05019	0.5
128.03517	0.7
130.08852	0.5
134.04739	2.7
137.02443	3.2
147.04506	35.7
148.04852	4.1
152.91817	0.4
161.04437	0.5
164.07147	100.0
165.07501	12.6
173.04495	1.9
191.05638	0.6
288.04282	0.4
311.07681	0.9
311.46814	0.5
431.02731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.2
59.21201	0.9
60.02486	0.8
61.01801	1.1
61.13239	1.0
61.79713	0.9
61.98824	100.0
70.59781	1.9
70.60124	1.2
73.41837	0.8
96.95998	19.1
98.95592	1.4
119.94740	0.9
121.94389	6.1
140.72516	1.0
152.99600	1.2
227.03398	1.3
227.93216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0979
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
56.83168	0.1
59.01377	1.2
63.02400	0.5
65.00336	0.5
69.42104	1.2
70.45256	0.2
79.05685	0.1
83.01382	0.4
85.02941	0.2
91.01878	0.3
91.25822	0.1
93.03440	1.7
107.01372	1.7
109.02924	0.7
110.87598	0.1
117.03431	0.3
119.01350	0.2
121.02987	0.2
125.02413	0.2
130.04254	0.2
131.05008	0.2
132.02133	0.8
135.00865	1.3
141.07114	0.2
143.04997	0.9
145.03008	0.2
151.00342	1.3
153.01939	0.4
154.04143	0.2
157.06616	0.7
159.04491	1.2
163.00374	2.3
164.01086	0.4
165.01830	0.3
167.04988	0.6
169.06560	0.7
171.04488	0.6
173.04559	0.2
173.06039	0.3
182.03627	0.4
183.04495	1.1
184.05179	0.2
185.02443	0.6
185.06049	2.0
186.06271	0.2
187.02448	0.2
187.03998	3.1
189.05544	1.0
190.99840	0.3
191.05562	0.3
195.04486	0.6
196.05281	0.4
197.06018	1.0
199.03929	1.0
200.04686	0.3
201.05528	0.5
211.03987	2.2
212.04562	0.3
213.05524	1.8
214.02657	0.2
215.03462	0.4
223.03917	0.2
227.03470	43.1
228.03816	2.7
229.05017	9.8
230.05360	0.5
239.03395	1.6
239.24266	0.1
240.04056	0.8
241.05035	1.3
243.02985	0.5
255.02954	62.9
256.03525	8.0
257.04526	5.7
257.07367	0.2
258.04877	0.3
267.02817	0.8
269.04785	0.1
283.02444	0.3
284.03226	56.1
285.03989	100.0
286.04343	7.3
327.05051	0.6
431.09750	56.8
432.10107	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	430.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
60.99312	0.5
61.98825	1.3
70.78369	0.8
71.01385	0.6
72.00906	10.3
78.95903	1.0
88.00407	0.9
88.98804	6.5
89.02430	0.7
93.03466	1.0
96.96014	3.1
96.96960	1.1
98.20605	0.4
101.02463	0.4
103.05547	0.5
134.04732	0.9
136.13582	0.3
137.02425	1.2
147.04512	34.6
148.04828	1.2
164.07150	100.0
165.07497	2.9
173.04550	0.8
176.16273	0.3
191.05647	0.5
203.12498	0.4
236.09904	0.3
344.71591	0.4
391.10657	0.4
412.22064	0.4
419.59915	0.4
447.40717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66043	0.9
57.03441	1.5
59.01094	1.4
59.01375	23.2
61.98522	1.9
61.98829	32.0
67.01867	3.1
69.63068	6.3
71.01379	12.0
73.02926	4.3
83.01362	1.1
83.05019	1.2
84.49936	0.9
85.02943	2.7
87.00871	2.9
88.98812	1.2
89.02450	5.7
90.75058	0.8
92.04989	1.0
93.03453	24.0
94.03828	1.2
96.95995	1.6
98.20584	2.1
101.02444	5.1
102.45395	1.0
109.02970	1.6
111.00854	1.3
111.04512	5.1
113.02439	3.7
117.03450	2.2
119.03413	1.3
124.01638	1.1
125.02406	2.3
128.03471	1.2
134.03743	15.3
136.04004	1.6
137.02394	4.9
149.06064	2.2
149.99484	1.1
151.07629	1.1
153.09181	2.7
155.03487	3.8
161.04544	2.2
163.11278	1.7
164.11610	2.7
168.00613	1.4
173.04533	100.0
174.04854	3.7
179.05711	1.2
191.05600	20.6
191.88017	0.9
193.05046	16.0
195.10236	1.2
197.18779	0.9
205.12363	1.0
223.13319	1.9
333.54745	1.2
367.10303	34.7
368.10657	2.8
385.18634	4.1
430.17935	7.7
431.11627	2.6
431.19025	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01701	0.8
61.98825	1.0
70.06901	2.9
78.95921	2.2
88.12184	0.6
91.03971	0.7
96.95980	0.9
104.31572	0.7
110.20993	0.7
152.99629	3.6
171.10286	1.4
243.62506	0.7
277.21713	1.3
295.22775	7.6
310.43481	0.7
341.21576	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	429.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01701	0.6
61.98824	1.6
70.95599	0.7
78.95927	0.3
81.04832	0.3
82.95414	0.5
89.02490	0.4
91.03996	2.4
96.96033	1.1
111.06113	0.3
112.40377	0.3
113.62673	0.3
118.61808	0.3
119.94691	0.4
124.55273	0.3
143.89542	0.3
148.93599	0.4
152.99574	0.7
190.35220	0.3
195.13902	1.1
277.21780	1.2
295.22739	13.5
296.23230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66043	0.9
57.03441	1.5
59.01094	1.4
59.01375	23.2
61.98522	1.9
61.98829	32.0
67.01867	3.1
69.63068	6.3
71.01379	12.0
73.02926	4.3
83.01362	1.1
83.05019	1.2
84.49936	0.9
85.02943	2.7
87.00871	2.9
88.98812	1.2
89.02450	5.7
90.75058	0.8
92.04989	1.0
93.03453	24.0
94.03828	1.2
96.95995	1.6
98.20584	2.1
101.02444	5.1
102.45395	1.0
109.02970	1.6
111.00854	1.3
111.04512	5.1
113.02439	3.7
117.03450	2.2
119.03413	1.3
124.01638	1.1
125.02406	2.3
128.03471	1.2
134.03743	15.3
136.04004	1.6
137.02394	4.9
149.06064	2.2
149.99484	1.1
151.07629	1.1
153.09181	2.7
155.03487	3.8
161.04544	2.2
163.11278	1.7
164.11610	2.7
168.00613	1.4
173.04533	100.0
174.04854	3.7
179.05711	1.2
191.05600	20.6
191.88017	0.9
193.05046	16.0
195.10236	1.2
197.18779	0.9
205.12363	1.0
223.13319	1.9
333.54745	1.2
367.10303	34.7
368.10657	2.8
385.18634	4.1
430.17935	7.7
431.11627	2.6
431.19025	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	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
59.01375	100.0
60.01706	0.9
64.17242	0.2
69.36111	0.3
69.36511	1.5
71.01377	3.6
71.42583	0.1
73.02585	0.2
73.02941	1.0
73.39935	0.2
79.86691	0.2
83.01406	0.3
85.02952	1.2
87.00858	0.2
89.02438	1.8
99.00862	0.2
101.02441	2.3
113.02433	1.3
119.03522	1.0
137.73717	0.2
143.03566	0.2
161.04582	0.6
179.05681	0.2
193.17780	0.2
200.93611	0.2
249.18132	0.2
316.89926	0.2
387.20175	0.3
429.19781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07090	0.3
55.01865	1.3
57.03448	1.9
59.01375	100.0
60.01722	0.9
67.01878	0.5
69.03458	0.6
71.01379	19.3
72.99297	0.5
73.02943	7.5
73.03334	0.5
83.01394	2.8
83.05028	0.6
83.37067	0.3
85.02945	9.0
86.00102	0.7
87.00872	5.0
89.02441	4.6
91.89005	0.4
93.03441	2.0
95.01397	1.6
97.02969	1.0
98.20628	0.7
99.00872	2.7
101.02436	13.1
107.05038	0.9
113.02437	8.7
119.03536	1.2
120.05827	0.7
125.02470	0.9
129.09245	0.4
134.85933	0.4
135.04530	0.9
137.02388	0.7
143.03525	1.4
159.02977	2.1
159.11786	0.5
161.04541	9.4
161.09695	2.1
161.13383	0.8
163.11278	4.1
173.04546	6.0
181.12408	0.8
185.13458	0.5
187.11292	2.1
189.09290	1.1
203.05653	1.0
203.10883	0.6
205.12440	1.0
207.13997	1.0
223.13373	8.1
225.14938	2.8
227.03699	0.6
229.12474	1.0
249.11424	0.8
255.03082	0.7
255.16043	0.7
267.12347	6.1
267.14813	0.5
268.12698	0.5
283.02585	1.1
284.03406	0.6
291.12436	0.6
309.13443	1.1
311.31561	0.4
325.03531	0.7
325.16501	5.6
326.16888	0.6
339.14536	1.4
343.17722	1.7
351.18185	0.7
367.17575	0.5
369.15601	4.5
369.19403	3.9
370.19971	0.4
385.18463	0.4
387.20224	11.6
388.20837	1.1
429.08798	1.8
429.21729	9.4
430.22012	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	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88888	0.4
59.01376	100.0
60.01723	1.0
71.01377	11.4
72.99306	0.7
73.02953	2.6
83.01392	0.6
85.02962	1.7
85.21632	0.3
87.00894	0.9
89.02438	16.7
93.03475	0.5
95.01413	0.6
96.60651	0.3
99.90598	0.3
101.02437	6.6
104.37509	0.3
113.02438	4.7
119.03497	5.7
131.03526	0.8
131.19135	0.3
137.09711	2.4
143.03508	1.5
149.04594	0.9
152.99629	0.7
161.04552	2.4
161.13478	0.5
166.28357	0.4
173.04498	0.3
179.05585	4.3
182.55287	0.3
187.11240	0.4
216.69658	0.3
223.13339	2.3
255.15895	1.7
267.12497	1.2
309.13538	0.5
369.15518	1.3
429.21515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92297	0.3
57.03439	0.5
59.01373	100.0
59.31676	0.3
60.01706	1.0
62.91872	0.3
69.91042	1.6
71.01376	3.5
73.02946	2.8
76.22844	0.3
83.01405	0.7
85.02953	0.6
89.02459	0.6
91.12299	0.3
101.02422	2.6
113.02453	1.5
114.44712	0.3
121.06629	0.3
137.09756	0.5
160.01706	0.6
161.04518	1.5
163.11208	0.4
189.12854	1.3
199.97723	0.3
203.05649	0.7
207.10158	0.3
207.13847	1.9
225.15030	1.0
429.17792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01733	0.8
65.19335	0.3
65.84769	0.3
67.89803	0.3
69.32623	2.5
71.01385	1.5
73.02959	1.0
75.10620	0.3
85.02943	0.4
89.02473	0.5
93.01266	0.4
95.01317	0.4
101.02448	1.3
106.06084	0.3
113.02490	0.6
123.08196	0.6
142.58305	0.4
161.04572	0.6
163.11349	0.5
164.11314	0.4
189.12825	0.8
207.13931	0.8
362.35294	0.4
429.17493	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	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
57.03438	3.9
58.00605	1.5
59.01375	53.3
61.11201	1.0
61.98832	3.3
69.40022	8.8
71.01381	40.0
72.99312	1.2
73.02935	16.4
75.00857	2.2
79.05539	1.2
83.01376	8.9
85.02944	20.8
87.00877	3.7
89.02441	5.9
93.03438	3.4
95.01372	2.8
95.05017	1.3
96.95998	3.8
97.02940	2.1
99.00867	7.3
101.02438	46.5
111.00828	1.2
111.04552	1.2
113.02439	15.8
119.03497	2.1
120.05787	1.3
125.02382	1.0
133.02896	1.2
133.10222	8.3
135.04567	1.3
135.11797	26.7
137.02420	1.6
143.03477	2.6
146.07408	1.6
151.00391	1.9
152.03592	1.3
158.11865	1.0
159.02975	3.0
159.08118	4.4
161.04544	22.9
161.09697	31.0
163.11153	1.0
165.12782	1.7
173.04570	9.7
173.90181	1.1
178.99829	2.4
179.10756	100.0
180.11153	5.2
181.12326	3.1
191.05638	5.3
205.12393	1.8
207.13913	2.5
220.49023	0.9
223.08205	81.8
223.13185	6.3
224.08571	3.0
225.11156	3.4
225.14938	3.4
227.03416	7.7
238.25975	1.0
249.11255	1.8
254.28268	1.1
255.03004	9.3
255.15961	1.9
256.03790	1.1
267.12222	5.7
270.25070	1.1
284.03238	8.9
285.03955	6.3
299.02173	1.8
312.18152	1.3
323.89697	1.2
324.56854	1.0
339.14563	1.3
369.15302	3.0
385.18704	2.9
429.08148	11.8
429.17023	20.6
430.17648	2.3
432.36224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52975	0.9
51.30709	0.8
57.03444	2.9
59.01375	100.0
69.33326	7.0
69.42847	0.9
71.01375	13.1
71.05029	1.4
73.02950	2.1
80.42628	0.8
83.01399	2.8
83.05031	1.7
85.02949	3.9
87.00882	8.0
89.02432	8.4
92.22098	0.8
93.03457	5.6
93.44214	0.8
96.95988	6.0
97.02950	1.2
97.06580	2.4
98.19817	1.6
99.04516	1.5
101.02442	9.1
107.05021	5.9
109.06614	0.9
111.04498	1.3
113.02457	4.2
114.44026	1.0
119.03496	2.9
120.05807	1.8
133.10136	0.8
135.04494	4.7
143.03375	1.2
159.08057	1.2
159.11769	2.6
161.04518	2.1
161.09689	11.6
161.13359	6.6
163.11270	1.3
173.04524	12.9
176.21634	0.9
179.05634	1.5
185.13359	2.8
187.11264	23.1
188.11629	1.1
189.09207	6.7
191.05478	1.3
203.10759	6.5
203.14436	1.0
205.12302	6.5
207.10240	1.7
223.13359	78.7
224.13754	5.3
227.03493	1.9
229.12305	7.4
231.10201	1.0
247.13318	1.1
249.11253	5.4
255.02977	2.4
255.15991	1.5
267.12332	51.8
268.12720	3.9
284.03174	2.0
291.12338	5.5
309.13412	10.1
321.13605	1.0
325.36923	1.1
333.13168	1.3
339.14429	12.4
340.14670	1.0
369.15469	63.8
370.15811	4.0
392.92728	0.9
429.08218	3.0
429.17285	28.1
430.17496	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
55.12534	1.6
57.03440	5.3
58.00579	2.0
59.01375	54.8
61.98825	15.4
67.01878	1.8
69.03459	2.5
69.25767	12.5
71.01379	43.4
72.99290	2.2
73.02943	21.4
75.00855	1.9
79.95716	1.4
83.01403	6.7
83.05042	1.6
85.02957	21.9
86.03208	1.3
87.00874	3.6
87.04541	1.5
89.02450	6.6
89.91380	1.4
93.03443	15.3
95.01317	3.0
96.96000	12.6
96.97002	1.4
97.02928	1.6
99.00884	7.2
101.01762	2.5
101.02439	46.1
102.58056	1.2
111.00858	2.3
111.04530	3.7
113.02442	16.0
120.99642	1.6
124.01645	4.0
125.02444	14.0
129.01982	1.3
133.02950	2.5
133.10246	7.4
135.11797	24.0
137.02423	3.7
140.21251	1.3
143.03522	2.7
149.99561	5.7
151.00374	1.9
155.03555	1.7
159.02989	4.2
159.08150	3.8
160.44867	1.4
161.02448	2.7
161.04526	19.2
161.09698	29.3
162.10028	3.2
168.00630	11.7
172.44304	1.3
173.04538	52.3
174.04951	1.8
179.10764	100.0
180.11093	6.1
181.12259	2.6
186.40964	1.3
191.05595	4.4
207.13875	10.5
211.13326	2.4
223.08209	80.8
224.08513	2.2
225.14896	15.6
227.03494	20.2
255.02975	22.3
255.15979	11.7
256.03601	2.9
259.01141	2.0
284.03247	16.3
285.03973	16.4
341.17697	2.3
365.92081	1.5
385.18390	2.9
429.08102	22.6
429.13672	12.3
429.18176	14.6
430.08530	2.9
430.22552	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53135	0.5
56.69631	0.5
57.03442	1.9
58.00596	0.9
59.01375	100.0
60.01715	0.8
61.98864	0.7
69.46994	4.6
71.01384	15.1
71.05036	1.0
72.99318	1.0
73.02962	1.7
78.95903	4.2
83.01411	1.2
83.05015	0.9
85.02958	2.6
87.00864	3.1
89.02436	15.9
93.03429	0.8
95.01368	0.7
96.96011	1.1
97.02908	0.6
97.06607	1.2
98.19879	0.9
101.02433	7.6
107.05056	1.6
111.04556	0.7
113.02442	5.3
119.03487	6.5
120.05838	0.7
135.04558	1.1
143.03540	1.9
152.99588	7.9
161.04575	2.4
161.09680	4.1
161.13374	2.7
166.42297	0.7
173.04590	1.7
176.77890	0.6
179.05649	3.8
185.13347	1.0
187.11267	7.2
189.09221	2.2
191.05460	0.7
203.10829	2.5
205.12357	3.2
223.13379	19.9
224.13724	0.8
229.12383	1.8
249.11290	3.1
267.12350	20.2
267.15198	1.1
291.12418	1.5
309.13519	3.0
331.53275	0.6
339.14432	3.7
369.15475	13.8
370.15814	1.5
372.78076	0.6
429.17352	6.6
430.28354	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	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71518	1.0
57.03421	3.9
59.01375	100.0
59.31329	1.1
60.01696	1.7
61.98812	1.8
67.01875	1.5
69.48480	3.4
69.48899	5.3
71.01379	13.6
73.02953	3.5
83.05028	1.6
83.34399	1.2
85.02937	2.9
87.00883	10.1
89.02429	10.0
93.03484	2.3
97.06561	3.5
98.20683	2.1
101.02441	10.3
107.05068	6.1
113.02432	5.6
119.03500	2.9
120.05788	3.0
120.99792	1.2
131.03452	1.5
135.04512	3.4
159.11726	2.1
161.04491	1.6
161.09697	16.8
161.13329	6.6
163.11246	2.3
173.04503	4.4
185.13321	4.0
187.11252	25.7
188.11501	2.7
189.09169	7.2
203.10739	5.1
205.12288	9.4
207.10301	1.6
223.13358	80.9
224.13719	3.6
227.03423	2.7
229.12326	8.3
231.10187	1.3
249.11354	7.9
255.02943	3.3
267.12329	58.1
268.12671	3.5
284.03238	1.9
285.03909	1.4
291.12354	5.0
309.13391	11.0
339.14380	13.7
340.14624	1.3
360.68262	1.3
369.15503	66.8
370.15921	7.2
392.33832	1.3
429.08154	3.5
429.17435	31.4
430.17798	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01374	100.0
59.59856	0.7
60.01707	1.0
63.65784	0.7
65.26129	0.7
67.85885	0.9
69.58452	2.9
69.58874	2.5
71.01379	11.7
72.57884	0.7
73.02939	5.4
83.01403	1.9
83.05025	0.9
85.02971	2.5
87.00870	5.2
89.02441	11.7
93.03457	1.0
95.01384	0.8
96.96028	3.1
97.06609	1.2
98.19868	1.6
101.02441	8.5
107.05026	2.3
113.02464	5.2
119.03490	5.1
120.05802	1.4
131.03551	1.0
135.04514	1.6
137.09753	1.0
143.03514	1.1
147.03685	0.7
147.08203	0.7
149.04594	1.2
152.99625	1.7
159.11797	1.1
161.04593	2.5
161.09669	5.8
161.13359	3.6
163.11244	1.1
166.44437	0.7
168.42709	0.8
173.04599	2.1
179.05650	2.9
185.13406	1.4
187.11263	8.5
189.09215	2.7
191.05568	1.5
203.10822	2.1
203.14458	1.6
205.12346	3.2
223.13380	28.5
224.13763	2.1
229.12302	2.7
249.11331	2.3
255.16087	1.5
267.12347	21.3
268.12836	1.8
291.12436	2.4
309.13364	3.6
339.14297	4.1
369.15485	26.5
370.15887	2.6
429.17233	9.7
430.28336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
61.98826	9.8
70.11782	3.3
72.00902	12.9
74.02467	13.0
78.95850	0.7
87.00890	0.8
88.98808	1.3
96.96025	3.1
108.73100	0.7
113.64026	0.7
116.05056	54.5
117.05408	2.2
118.98080	1.2
127.15856	0.6
129.05832	1.7
130.06616	14.0
142.06610	15.9
143.06964	0.8
152.91861	0.8
157.07710	2.2
159.09271	11.8
160.09561	0.8
161.04793	1.0
164.71935	0.6
173.43007	0.7
186.05605	2.0
203.08247	100.0
204.08615	5.7
208.64291	0.7
225.06432	72.9
226.06804	3.6
257.89001	0.6
269.05429	1.4
273.64218	0.7
305.90805	0.7
306.20798	0.7
429.15350	37.5
430.15573	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	429.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
60.99302	14.7
61.98823	7.5
63.41518	0.8
69.03457	0.8
71.01378	2.2
71.61877	1.4
75.00864	1.4
85.02937	1.1
85.06593	1.2
87.00857	1.0
88.98803	100.0
89.02452	1.4
93.03457	1.8
94.74088	0.8
96.96004	7.0
101.02428	0.9
105.01955	2.2
113.02399	0.9
115.59234	0.8
118.98088	3.4
128.03548	1.1
129.05540	0.9
163.04013	1.1
173.04588	2.5
177.01930	10.6
189.22891	0.7
191.05632	2.9
207.02940	2.5
231.75873	0.8
238.05049	0.8
266.91547	4.1
309.09885	1.0
339.07068	2.4
428.96927	1.8
429.09564	0.9
429.14990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18494	0.4
55.31952	0.4
55.66056	0.5
58.01105	0.4
59.01377	36.0
61.98827	100.0
71.01379	4.2
71.63200	0.7
72.99283	0.5
73.02958	1.5
76.62244	0.4
83.01393	0.6
83.64417	0.5
85.02961	1.3
89.02465	1.4
93.03442	1.1
101.02425	2.7
113.02470	1.3
123.52210	0.5
137.02475	0.7
145.02980	0.5
161.04514	0.9
173.04573	1.9
191.05635	3.9
246.10712	0.5
255.06715	0.7
255.16077	1.1
279.14511	1.9
325.02545	0.5
429.12299	0.9
429.21631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01730	1.1
61.98821	1.4
69.07714	1.0
71.63378	1.7
73.75919	1.1
96.06310	1.0
101.21130	1.0
128.48256	1.0
129.75223	1.2
393.05899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
68.95140	0.8
70.51009	0.9
95.14386	0.8
144.88916	0.8
180.64532	0.9
211.10587	0.8
275.53091	0.9
293.21204	6.4
330.05542	2.2
367.13501	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	427.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85402	8.8
58.64622	8.1
59.01372	66.0
61.61055	7.7
61.98816	31.6
71.38751	8.5
71.63152	10.6
78.95894	12.9
79.95706	9.0
85.02925	19.3
85.51031	8.0
96.96011	100.0
117.01908	15.3
135.06639	16.3
171.10281	11.4
197.78026	9.4
199.96690	9.9
290.96875	10.0
291.19611	24.0
309.20660	27.6
327.21710	17.6
427.27069	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32326	0.8
58.30827	0.7
59.01376	100.0
59.13617	0.9
60.01721	1.1
61.77777	0.7
61.98836	2.1
62.56141	0.9
71.62688	1.4
84.73685	0.8
92.92789	1.5
96.96006	1.0
123.40628	0.9
148.24217	0.8
150.27068	0.7
150.35402	0.9
202.14191	0.7
235.17004	4.1
275.20117	8.6
293.21234	4.0
306.01056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01713	0.8
61.98817	2.9
69.40283	3.3
71.01364	0.5
76.23074	0.4
82.95425	0.4
91.03977	2.3
96.95998	3.6
109.73765	0.3
119.94743	1.0
142.92096	0.4
171.10274	1.5
195.13889	0.6
223.13445	0.7
259.09525	0.4
275.20065	2.2
293.21207	12.7
294.21576	1.2
307.19104	0.5
311.22415	1.6
453.19403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92994	1.3
59.01369	6.6
60.48990	1.8
61.98822	6.5
71.62646	1.7
71.91739	1.6
78.95879	1.9
79.47063	1.4
96.96021	11.4
99.92542	1.8
128.53638	1.4
136.52081	1.3
152.99597	2.9
164.47282	1.5
165.12827	18.2
231.45496	1.4
242.41742	1.6
244.37030	1.4
247.20662	8.9
258.37732	1.5
267.61716	1.5
273.18661	5.6
291.19614	100.0
292.19925	7.2
328.30966	1.6
381.65469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03438	3.0
59.01374	100.0
60.01699	1.0
61.98840	0.8
67.01904	0.7
69.03461	1.7
69.64870	3.1
71.01378	15.8
71.01756	0.9
72.99296	0.8
73.02938	9.9
74.82717	0.4
83.01380	3.2
83.05019	0.7
85.02945	5.0
87.00856	2.3
87.06983	0.5
89.02451	3.2
93.03461	1.8
95.01385	1.1
96.96001	5.1
97.02952	0.6
99.00869	1.2
101.02435	9.8
103.52975	0.5
107.05022	0.9
111.04489	0.9
111.08150	0.8
113.02449	4.8
119.03490	0.9
120.99651	0.6
127.76723	0.4
135.04518	0.6
137.02451	0.5
137.09694	0.9
147.04559	1.0
149.06046	0.6
151.11334	0.8
153.12852	0.5
155.03552	0.9
161.04582	1.9
161.09729	0.8
163.11269	9.6
165.09244	1.7
165.12848	0.6
171.08171	0.8
173.04509	6.8
173.09648	0.5
179.10716	0.7
181.12320	21.9
182.12614	0.8
187.11282	4.0
189.12828	3.6
190.09973	4.6
191.05653	1.4
191.10410	0.5
203.10785	0.5
204.11534	0.6
205.12299	7.8
207.13980	0.5
209.15434	0.8
209.30119	0.5
223.13457	1.6
229.12297	1.2
244.26456	0.5
247.13445	1.3
259.13629	1.6
305.10544	2.5
347.15341	1.0
367.17764	1.3
427.11029	3.7
427.19965	3.5
428.26761	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01884	0.5
57.03435	1.1
59.01375	100.0
59.37934	0.4
60.01711	1.3
60.28447	0.4
61.98828	0.5
64.83122	0.4
69.03463	0.6
69.80399	2.3
71.01378	14.5
72.99318	0.6
73.02939	7.1
78.95906	0.4
83.01399	1.8
83.05027	0.6
85.02949	5.6
87.00882	1.1
89.02440	3.9
93.03475	0.7
95.01382	1.5
95.05034	0.7
97.02930	1.9
99.00890	1.7
101.02428	5.7
101.02964	0.5
109.02958	0.7
109.06595	0.8
113.02441	9.9
113.06084	0.7
119.03506	0.9
123.08149	1.0
125.02512	0.5
125.06107	0.8
136.05292	1.8
138.06860	6.3
139.07631	2.1
143.03473	0.6
151.07635	5.5
152.04866	0.5
152.08418	17.7
153.09206	34.7
154.09555	2.1
161.04549	4.3
161.09657	0.6
163.11313	1.2
165.09242	1.7
167.07220	0.7
173.04567	1.1
179.10764	0.7
187.11284	0.5
189.09196	0.7
190.10036	0.7
191.05672	1.1
205.12315	13.3
206.12704	1.1
223.09898	0.4
223.13380	3.9
253.10785	0.6
367.17572	13.0
368.18188	1.3
385.18582	2.5
391.48300	0.4
427.20273	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	425.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06372	0.3
67.05518	2.4
69.76400	1.7
71.05015	11.2
80.05045	0.9
81.38922	0.3
107.69091	0.3
113.22216	0.3
114.09264	2.3
130.08727	14.3
131.09036	0.5
140.07121	0.7
152.99570	1.2
168.13899	0.7
186.14967	8.2
194.11858	1.2
212.12923	1.3
213.50157	0.4
230.13934	100.0
231.14291	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	427.07
Annotation	Diethylstilbestrol diphosphate
Peak:m/z	Relative Intensity
53.57852	0.4
59.01375	3.4
59.58057	0.5
60.99285	0.5
61.98830	4.9
67.01883	0.9
69.62200	2.7
71.01382	2.4
73.02942	0.5
78.95891	0.7
85.02948	7.2
87.00871	3.9
88.00401	5.4
88.98801	2.1
89.02435	0.5
90.81193	0.6
93.03443	10.5
96.95983	1.4
99.00859	0.5
101.02429	0.8
109.02944	0.5
111.04511	2.0
119.05002	0.7
127.03992	1.8
129.01952	0.7
133.02940	0.8
133.93839	0.5
135.04515	17.0
145.02901	0.6
147.04532	4.1
149.06047	0.5
155.03429	1.3
158.03705	0.6
161.02429	23.0
161.07181	0.7
162.02847	1.6
163.04010	14.7
173.02426	0.8
173.04565	4.6
174.03204	1.7
175.03984	13.5
176.04559	0.5
178.06279	0.6
181.03316	1.2
191.01810	8.2
191.05595	64.5
192.05994	2.7
192.99567	1.6
201.02002	1.3
208.67346	0.5
209.02754	58.2
210.03098	2.8
216.99637	3.0
235.00682	15.5
236.01051	1.2
253.01767	7.3
295.13098	0.9
427.06979	100.0
428.07278	12.0
428.13782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1841
Annotation	FR901483
Peak:m/z	Relative Intensity
50.06563	0.7
59.01374	2.2
61.98825	9.9
71.28848	1.0
75.00880	1.2
78.95904	10.3
79.95713	3.3
90.02596	0.7
94.52853	0.9
96.22501	0.8
96.96004	100.0
96.96929	19.5
99.92525	0.8
112.81760	0.8
113.09725	0.9
115.92033	1.5
201.11285	2.1
213.11301	1.4
257.06903	1.9
271.04950	3.3
290.82181	0.8
299.08093	8.4
311.08087	1.0
327.21680	4.4
347.15308	2.1
365.16345	3.0
407.17603	1.5
425.27023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	55.5
61.98824	58.3
69.48698	57.0
71.01374	9.0
78.95879	20.5
87.96914	7.7
93.03453	12.0
96.96010	100.0
96.96964	30.2
105.14587	6.9
115.14381	6.8
120.07968	6.4
173.04514	33.6
195.20209	7.1
269.06995	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	425.1838
Annotation	FR901483
Peak:m/z	Relative Intensity
53.45823	0.6
59.01376	6.1
61.98836	0.6
69.36901	0.6
70.85050	1.9
71.01384	1.0
75.77818	0.6
78.95457	1.2
78.95903	21.2
79.95749	3.3
80.63061	0.6
93.03429	1.1
96.96004	100.0
96.96954	41.5
97.02897	1.3
97.95897	0.7
99.80298	0.6
114.93397	0.7
139.99271	0.6
171.10182	1.1
173.04564	1.0
191.05548	0.8
211.13264	1.5
265.07571	3.2
267.09204	5.8
277.07788	0.8
295.08688	3.0
309.09995	3.5
311.08298	0.7
327.21768	4.3
328.22037	1.0
334.50119	0.6
365.16507	1.6
425.18567	7.1
426.18985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	31.1
61.98820	8.4
62.30695	1.1
65.94564	1.0
67.01874	2.4
71.01388	6.4
71.63355	1.8
73.02917	2.1
75.00871	1.1
82.95380	1.5
83.05029	2.3
85.02969	6.3
86.66466	1.2
87.00860	2.6
88.85558	1.1
93.03452	15.4
94.32476	1.1
99.00845	1.2
99.04478	5.2
101.02457	2.3
106.82221	1.1
107.05016	2.2
109.02935	1.2
111.00919	1.2
111.04517	8.1
113.02440	3.9
121.06570	2.6
127.04028	2.1
129.22899	1.2
134.03748	2.6
135.04514	58.0
136.04829	2.0
137.02481	2.8
143.03461	1.2
152.99567	1.1
155.03485	6.3
162.06157	1.3
163.14835	3.2
173.04530	42.0
174.04865	3.2
175.05083	1.5
179.03488	53.7
180.03818	2.2
189.12836	9.6
191.05594	63.1
192.05894	3.0
207.13881	23.7
208.14346	1.7
233.11804	1.4
234.79253	1.2
251.12854	100.0
252.13260	6.6
425.18109	39.6
426.18472	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	425.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01371	13.9
61.98819	2.6
64.88848	0.4
65.33192	0.4
67.01887	4.3
68.48579	0.4
69.03466	0.8
71.01382	4.8
71.58929	0.5
71.63198	0.6
73.02940	0.8
81.03464	1.0
82.95412	3.5
83.05016	1.3
85.02937	1.6
89.02438	0.4
93.03448	26.9
94.03767	0.9
95.01338	0.5
96.95985	0.5
101.02460	0.8
109.02950	1.0
109.54157	0.4
111.00888	1.0
111.04513	4.1
113.02472	1.2
127.03970	0.6
133.02715	0.4
137.02419	5.0
155.03474	5.0
173.04529	100.0
174.04865	3.5
189.12828	0.8
191.05589	6.6
207.13872	8.3
208.14156	0.5
250.53404	0.4
251.12863	5.7
251.16557	1.0
342.56973	0.5
425.12384	1.1
425.17853	11.6
426.18088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03930	1.4
59.01373	16.7
61.98824	13.0
69.03468	3.1
69.50404	6.1
69.50828	5.2
71.01398	2.0
80.91697	1.6
84.02169	13.9
93.03441	1.9
94.70455	1.5
95.05015	3.6
96.57737	1.6
96.95996	2.4
97.02938	17.1
97.06586	11.8
98.19861	2.6
99.04502	3.8
125.09685	3.6
171.10249	36.6
173.04488	4.6
193.08440	44.2
193.12263	12.5
211.13307	2.7
215.10457	5.5
225.14928	15.2
232.10753	4.0
233.11491	6.7
243.15930	5.6
261.11191	1.7
264.09805	18.5
265.14044	2.1
267.89688	1.5
275.75970	1.5
279.12302	8.7
293.13657	1.7
294.10715	3.5
309.13080	3.1
331.17624	2.4
341.00436	1.4
341.23285	100.0
342.23508	9.9
345.20459	3.1
363.20917	20.4
364.20834	2.7
407.20285	3.2
423.23425	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	425.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48983	1.3
55.01863	1.6
57.03438	2.4
59.01375	56.2
61.98824	18.5
66.97540	1.4
67.01890	1.7
69.27313	14.6
71.01376	28.8
72.00521	2.1
72.00904	21.6
72.99305	1.5
73.02950	11.0
75.00879	4.3
82.95398	3.6
83.01387	3.8
85.02950	11.7
87.00877	4.3
89.02444	16.3
93.03449	5.9
95.01381	2.4
96.96006	4.3
99.00861	5.6
100.00401	78.5
100.04047	5.5
101.00723	1.6
101.02439	22.9
113.02448	10.6
119.03468	3.3
122.06095	2.7
125.02435	1.9
134.06166	1.6
135.04492	2.1
136.07658	4.5
137.02322	1.3
138.05588	1.5
140.07224	1.9
144.03018	100.0
145.03400	2.1
145.08679	2.5
148.06308	1.4
161.02394	5.0
161.04588	9.8
163.11255	3.4
173.04544	6.9
175.00029	1.3
177.01900	7.7
179.05611	4.2
185.94516	1.3
191.05585	24.2
192.04231	3.0
206.79771	1.3
207.06593	7.4
208.09737	2.6
248.85304	1.4
273.12500	1.6
293.16040	23.5
319.12933	2.0
365.17957	10.9
387.12683	1.7
387.16663	14.6
389.17627	2.7
425.14612	1.5
425.20282	42.2
426.20551	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	67.5
61.98827	13.4
62.37485	4.9
64.71024	4.8
70.63105	9.3
70.63435	5.2
71.01379	14.3
89.02463	13.5
96.52969	5.2
101.02436	10.2
113.02444	6.6
173.04619	5.7
207.10301	5.8
223.81805	4.5
298.35779	4.4
327.39316	4.7
379.18646	6.2
387.16550	100.0
423.17886	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	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39431	19.0
53.93472	18.0
59.01373	60.5
69.60040	34.5
69.60455	75.9
101.18213	17.7
111.73008	19.3
133.72768	20.1
134.79906	17.9
138.91510	17.9
156.47232	15.3
158.87320	18.8
186.91985	16.8
192.34892	17.1
194.51256	20.8
201.54143	19.1
387.16611	41.7
423.10318	41.1
423.18109	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	423.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98820	17.5
69.35020	12.8
69.35422	48.6
71.01373	51.7
73.02942	14.0
74.02446	7.9
76.51653	6.8
84.62872	6.2
85.02944	28.3
89.02444	10.7
93.03415	30.1
96.96004	9.3
99.00906	10.3
101.02416	44.2
111.04507	6.9
113.02430	21.4
116.73579	6.4
135.04492	18.5
144.32704	6.4
157.96791	6.2
161.04567	15.6
172.95314	5.9
173.04529	85.4
191.05588	26.9
219.70645	6.3
286.67435	6.9
291.18100	18.8
423.12424	7.7
423.22330	28.0
424.17264	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	423.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78436	0.3
58.18388	0.2
58.81781	0.2
59.01374	100.0
60.01713	1.0
61.98829	0.9
71.01368	0.5
71.63277	0.3
71.63712	0.3
73.02940	0.4
78.95905	0.6
85.02963	0.6
89.02431	0.4
92.14931	0.3
93.03461	1.0
94.43764	0.3
96.96028	0.3
101.02460	0.5
109.02985	0.3
112.72814	0.3
118.98119	0.3
120.99673	0.6
137.02512	0.3
143.88829	0.3
145.02907	0.3
173.04514	1.8
191.05602	1.3
215.07153	0.3
217.58470	0.3
271.31772	0.3
285.88123	0.2
319.29895	0.2
321.19305	0.6
341.09552	0.2
363.20197	0.5
423.12326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
61.98826	0.5
63.37460	0.5
63.96336	0.5
65.52377	0.5
67.53705	0.4
69.40416	4.4
75.00876	0.5
78.95902	13.7
79.95721	3.2
81.66979	0.5
93.03452	0.9
96.96006	100.0
96.96931	22.7
127.30030	0.5
134.84137	0.5
137.09662	0.9
148.94112	0.5
152.99538	0.8
154.33038	0.6
173.04552	0.6
191.05557	0.6
196.48589	0.5
201.11330	0.7
213.11241	1.2
257.07034	1.1
271.05017	1.5
299.08246	0.8
307.19113	0.8
308.05765	0.6
325.20099	2.5
333.13846	1.0
345.13840	1.1
356.81458	0.7
359.85284	0.6
363.14755	5.2
397.68335	0.6
405.15942	1.2
421.25842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71261	6.2
59.01374	100.0
61.98841	31.4
63.42483	6.4
69.67152	32.2
71.01360	32.0
73.02944	7.5
75.00865	10.7
75.45587	7.1
78.95901	45.1
85.02967	9.2
87.00879	8.8
89.02457	14.0
91.53024	6.5
93.03479	8.2
101.02436	14.8
110.07217	7.2
113.02442	13.1
118.98084	32.4
120.50153	6.6
120.99645	60.2
137.02478	8.3
152.99564	10.8
161.04506	11.1
173.04521	34.3
191.05592	29.9
205.08809	7.8
365.08716	7.3
371.30234	7.7
387.16663	28.4
423.17694	48.7
424.17001	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82735	11.7
59.01363	24.7
61.98815	16.5
62.72850	13.8
78.95911	17.3
84.25949	13.4
85.82957	11.9
88.98824	100.0
96.96001	14.9
111.00845	38.2
125.09679	11.5
132.67429	12.1
187.11110	13.2
207.09972	29.9
233.15404	43.7
247.02229	15.3
313.17764	23.6
325.17633	15.6
403.24829	75.9
421.25858	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	423.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95436	0.4
59.01381	11.5
61.98827	2.9
63.09716	0.5
71.01374	2.8
71.62327	0.7
73.02940	1.3
75.00842	0.6
78.95900	27.5
79.95736	2.4
80.91701	0.5
85.02943	1.3
87.00872	0.5
87.04506	0.9
89.02438	2.0
93.03449	0.6
96.96002	100.0
96.96949	59.5
99.00909	0.9
101.02441	2.1
104.13502	0.4
113.02441	1.9
116.92843	0.9
118.98035	0.5
119.03513	1.1
119.05022	3.3
119.05737	0.6
120.99490	0.5
137.06001	0.8
141.97620	0.5
149.04602	0.5
161.04478	0.9
163.03978	1.0
166.60666	0.5
173.04485	0.6
179.05551	0.6
191.05612	2.8
193.01726	0.7
197.31653	0.4
200.99547	2.6
201.01448	0.8
201.11310	1.9
218.99745	0.5
225.01726	0.5
235.02866	1.3
247.07214	1.7
257.05557	0.5
261.00769	3.6
343.09277	0.7
363.04123	0.9
363.16394	2.2
423.10352	2.7
423.18808	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	46.0
61.98818	26.8
69.29228	28.8
69.29644	100.0
78.49105	13.0
78.95904	12.8
82.55872	12.7
88.98793	19.4
97.37218	14.1
98.52818	12.4
111.00843	38.6
117.16393	11.0
121.02918	26.6
124.39764	11.8
126.50327	11.7
132.72084	12.8
152.99565	11.6
245.41733	15.9
313.92123	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	421.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24205	0.5
56.98029	0.4
64.04827	0.5
69.32593	5.0
78.95893	26.7
98.19846	1.0
110.98517	44.7
152.99559	3.9
167.01151	1.1
183.00548	0.5
185.02177	100.0
186.02547	2.0
190.39598	0.6
253.21677	27.5
254.22165	2.6
421.23883	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	421.2074
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01859	4.5
57.03425	5.1
58.00575	3.3
58.02955	2.2
59.01374	100.0
60.01696	1.7
61.98827	43.7
65.03944	2.5
67.01857	2.2
69.03419	2.9
69.40160	2.3
69.40567	6.8
71.01379	88.6
71.05009	1.3
72.01701	3.0
72.99283	3.9
73.02946	24.7
75.00839	2.1
78.91863	1.6
78.95884	2.3
80.47282	1.0
80.96479	1.3
81.03419	2.1
83.01373	11.8
85.02947	30.0
87.00851	3.7
89.01921	2.4
89.02441	41.6
93.03452	9.9
95.01367	6.1
95.04902	1.0
96.95985	2.5
97.02917	4.3
99.00880	7.4
101.02438	58.8
108.02162	1.6
109.02947	50.2
110.03305	1.9
111.00888	6.0
111.04520	1.5
113.02442	23.1
115.03993	2.3
118.98061	5.1
119.03446	1.9
120.99620	1.6
121.02905	4.0
125.02429	7.6
129.01921	2.0
129.10312	1.7
131.03494	22.9
135.00839	2.6
137.02426	2.5
143.03438	3.2
149.04535	10.6
151.77010	1.1
153.01929	37.4
155.03421	1.8
159.02895	4.3
161.02400	1.6
161.04553	21.4
164.07095	3.1
165.07426	3.7
167.26907	1.3
168.07378	1.8
173.04543	26.4
174.04845	2.0
174.60840	1.2
186.12373	2.9
187.12668	2.8
191.05579	9.1
198.24826	1.2
203.10631	1.3
215.06995	4.6
233.06598	3.8
247.13315	2.1
289.16550	35.3
290.16830	2.9
293.08716	3.0
335.20523	1.6
376.18527	2.2
377.18954	12.8
421.11548	12.6
421.20575	52.2
422.11417	1.6
422.20950	5.3
436.51373	1.4
439.79672	1.2
446.06940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01377	100.0
60.01719	1.3
61.98828	24.1
62.73600	0.5
65.03970	0.5
67.50654	0.5
71.01378	4.6
71.63712	0.7
72.08913	0.5
73.02940	3.2
73.39352	0.5
74.99123	1.3
75.00900	0.8
78.95905	0.8
83.01389	1.6
83.05037	0.7
85.02950	1.8
87.00878	1.0
89.02446	1.2
93.02948	0.8
93.03447	4.1
96.96018	1.5
97.06612	0.7
101.02440	6.6
109.02962	4.9
113.02444	1.7
118.98101	1.4
120.99679	1.5
121.02966	1.7
135.00922	1.5
135.04504	1.0
136.01610	0.7
136.99158	0.7
155.03517	0.8
159.11716	0.5
161.02504	0.7
161.04611	1.4
171.10333	0.8
173.04562	1.7
179.03477	0.7
185.11824	1.5
191.05638	4.7
201.11305	0.7
203.10805	0.9
203.21750	0.5
215.07217	1.5
227.12930	0.7
241.05157	0.7
248.30774	0.5
359.21017	1.0
379.23584	0.8
407.40216	0.7
421.11203	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	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01377	100.0
60.01719	1.3
61.98828	24.1
62.73600	0.5
65.03970	0.5
67.50654	0.5
71.01378	4.6
71.63712	0.7
72.08913	0.5
73.02940	3.2
73.39352	0.5
74.99123	1.3
75.00900	0.8
78.95905	0.8
83.01389	1.6
83.05037	0.7
85.02950	1.8
87.00878	1.0
89.02446	1.2
93.02948	0.8
93.03447	4.1
96.96018	1.5
97.06612	0.7
101.02440	6.6
109.02962	4.9
113.02444	1.7
118.98101	1.4
120.99679	1.5
121.02966	1.7
135.00922	1.5
135.04504	1.0
136.01610	0.7
136.99158	0.7
155.03517	0.8
159.11716	0.5
161.02504	0.7
161.04611	1.4
171.10333	0.8
173.04562	1.7
179.03477	0.7
185.11824	1.5
191.05638	4.7
201.11305	0.7
203.10805	0.9
203.21750	0.5
215.07217	1.5
227.12930	0.7
241.05157	0.7
248.30774	0.5
359.21017	1.0
379.23584	0.8
407.40216	0.7
421.11203	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	421.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71990	0.3
57.03437	0.9
57.84532	0.3
59.01375	11.0
59.81274	0.3
61.98568	0.2
61.98833	2.4
67.01884	4.0
69.03444	1.0
71.01372	3.2
73.02938	0.8
78.95879	0.8
79.95770	0.5
81.03446	0.9
83.05003	0.5
85.02951	1.1
87.00858	0.4
88.88790	0.4
89.02421	0.5
93.03450	23.6
94.03794	0.7
96.96002	0.6
99.00890	0.4
101.02440	0.4
101.06063	1.0
109.02966	1.1
110.54221	0.3
111.00884	1.0
111.04510	3.9
113.02435	0.5
119.93141	0.3
121.06576	0.7
137.02411	5.4
137.09705	6.6
147.08145	3.0
155.03488	4.7
173.04529	100.0
174.04865	3.4
187.11270	0.9
191.05566	1.3
196.14212	0.4
203.14389	4.9
206.12514	0.3
221.22174	0.3
223.13478	0.8
224.13687	1.2
247.13364	10.8
248.13782	0.6
367.60858	0.3
421.18796	4.6
421.24030	0.6
422.18976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03450	3.6
58.00617	0.7
58.02982	1.7
59.01378	17.0
61.68217	0.6
61.98831	3.3
70.02977	9.7
71.01374	5.4
71.05023	14.0
71.62288	0.7
73.02962	1.3
74.99113	0.6
74.99537	0.6
83.01420	1.0
83.13781	0.6
85.02959	1.7
85.06599	0.8
87.05634	6.1
89.02446	4.6
91.24160	0.6
93.03452	1.1
95.01393	0.6
96.96032	1.5
99.04501	6.0
101.02434	8.7
105.37304	0.7
113.02462	2.3
115.05148	1.6
116.07183	2.6
119.03507	1.1
122.06109	0.9
128.03539	0.9
129.05605	1.1
130.03333	7.7
134.06110	0.7
136.07695	0.6
143.04567	1.1
146.08232	81.0
147.05960	3.3
147.08591	1.7
150.05646	0.8
161.04596	1.1
163.08992	0.5
164.07162	2.2
173.04567	2.6
179.05830	0.6
191.05620	2.9
199.09708	1.3
206.08371	0.6
215.12846	2.5
217.11920	18.7
222.07629	0.8
223.06096	0.7
229.01439	0.7
233.09178	0.7
241.09805	0.7
247.02415	0.7
251.10451	1.2
259.11298	0.8
277.12256	100.0
278.12555	5.8
283.10947	1.4
306.07758	1.0
319.13235	0.6
327.09900	1.2
345.11084	0.8
361.18610	1.1
365.58801	0.7
377.18176	13.1
378.18228	1.2
385.14240	0.6
403.10742	0.6
421.11807	0.9
421.16846	1.1
421.20932	10.0
426.35315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30232	3.1
59.01377	100.0
61.98825	7.9
66.14034	3.3
71.01377	14.8
71.63073	4.8
73.02925	7.4
76.32703	3.1
77.91032	2.8
78.95884	4.3
85.02948	7.3
87.00886	6.1
87.79615	3.1
89.02436	7.4
89.43893	3.7
91.82609	3.2
92.24499	3.4
93.03462	7.0
96.96008	41.5
99.00896	3.4
101.02452	8.8
113.02412	4.7
118.98093	3.8
119.03489	4.7
120.99635	9.5
125.90736	2.7
145.03984	3.0
152.99576	14.3
171.10309	4.2
173.04494	9.7
176.07054	3.5
187.07762	3.0
191.05585	5.9
205.12375	3.8
238.07158	5.9
330.48776	3.1
377.17999	10.0
403.19467	7.8
421.16003	48.9
421.20663	6.5
422.16110	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	421.1137
Annotation	Amburoside A
Peak:m/z	Relative Intensity
56.56351	0.8
56.66177	0.7
58.89365	0.7
59.01370	5.2
65.03967	1.7
67.01884	1.3
69.50226	5.6
71.01382	0.8
75.69337	0.7
91.01895	2.8
92.93794	0.8
93.03450	28.9
94.03799	1.2
100.51087	0.7
109.02943	64.3
110.03336	1.9
121.02944	28.2
122.03258	1.5
135.00882	19.9
136.01302	0.9
153.01904	5.5
165.01828	1.1
173.06062	1.9
197.06021	2.5
215.07106	27.2
216.07544	1.2
222.57947	0.7
241.05016	12.8
258.05298	2.4
259.06055	8.0
259.32382	0.8
259.99542	0.8
403.10297	2.2
421.11356	100.0
422.11716	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	421.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	0.5
59.01375	8.5
61.66426	0.2
61.98832	1.6
69.65722	1.2
69.66132	0.5
71.01380	3.0
73.02948	0.3
78.95898	1.6
79.95736	2.6
82.16969	0.3
85.02956	1.0
89.02425	3.0
90.97147	0.3
93.03452	0.4
96.96004	100.0
97.95901	0.4
98.19845	0.4
101.02457	2.1
111.04554	0.3
113.02447	1.2
113.92580	0.3
118.96648	0.5
119.03511	1.3
127.05093	0.5
130.53424	0.3
131.97971	0.3
137.09698	0.3
156.39426	0.3
161.04597	0.7
164.07205	0.3
173.04593	0.5
179.03381	0.3
191.05621	0.3
193.12149	0.3
199.09662	0.6
209.08336	0.3
235.49397	0.3
247.15546	0.4
259.05008	0.3
305.79559	0.3
323.13464	6.7
324.13818	0.3
361.08240	1.0
361.14893	0.6
361.18796	0.5
377.13385	0.3
386.13492	0.4
421.10367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15528	0.3
55.01857	0.3
56.76422	0.3
57.03463	0.3
59.01091	0.6
59.01374	8.7
61.98829	3.1
69.55739	0.6
69.56145	1.6
71.01373	4.3
72.99306	0.6
73.02941	0.5
73.79619	0.3
78.91889	1.0
78.95887	0.9
79.77364	0.3
79.95744	2.0
83.04999	0.4
85.02943	1.2
87.00837	0.5
87.04501	0.5
89.02438	3.5
93.03442	1.1
96.96002	100.0
97.06592	0.5
97.95950	0.4
98.19888	0.7
101.02444	2.1
107.39011	0.4
112.98832	0.6
113.02422	1.7
114.20747	0.3
118.96616	0.5
119.03497	1.3
123.04574	0.4
125.06113	0.6
132.98213	0.6
141.05547	0.7
143.03450	0.5
161.02345	0.3
161.04514	0.5
173.04532	1.4
177.87177	0.4
179.03516	0.4
179.05615	0.6
191.05588	1.3
194.05807	0.7
199.09735	0.7
209.08177	2.0
247.15323	0.7
274.39868	0.3
282.97476	0.3
297.12128	0.3
323.07834	2.3
323.13440	8.5
361.08191	1.1
361.14902	1.0
383.09583	0.5
421.09705	0.9
421.16074	0.5
421.20984	0.9
421.26270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83559	0.2
59.01377	5.6
61.98824	1.2
71.01384	2.2
72.99260	0.3
73.02946	0.3
78.95900	9.0
79.95729	2.8
85.02930	0.7
87.00857	0.4
89.02442	2.1
90.97115	0.5
93.03505	0.2
95.01424	0.3
96.96005	100.0
96.96924	16.1
97.95953	0.4
98.02468	0.5
101.02433	1.8
113.02422	1.1
115.04012	0.3
119.03513	0.9
132.98232	0.3
161.04552	0.7
161.08221	0.3
173.04556	0.4
174.11191	0.3
177.01924	0.3
179.05571	0.3
185.82179	0.2
191.05643	0.4
247.15274	0.3
282.12357	0.2
323.07684	0.2
323.13501	2.7
331.44260	0.3
361.08212	0.8
361.15088	0.7
420.25540	0.3
421.10846	0.5
421.16245	0.4
421.21170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
58.02968	0.6
59.01374	6.4
61.98823	100.0
63.89690	0.3
68.71166	0.4
70.62150	0.3
71.01372	3.6
71.63192	0.5
72.99300	0.4
73.02931	0.9
74.99090	0.3
78.95903	1.9
80.37457	0.3
83.01394	0.6
85.02943	1.7
87.00883	0.3
89.02444	1.8
93.03457	1.0
96.96034	0.4
97.06635	0.5
99.00895	0.5
101.02436	2.6
109.02944	2.3
109.06577	0.4
113.02467	1.0
123.08210	0.5
125.02444	0.8
125.09702	0.5
129.10376	0.5
131.03482	0.7
137.02452	0.4
137.06085	0.5
147.04430	0.3
149.06120	0.4
152.99660	0.6
153.01978	1.1
161.04500	0.6
164.07167	1.3
167.07143	3.3
171.10223	1.6
173.04515	2.0
174.05066	0.4
186.12454	0.5
191.05612	1.0
201.11258	3.2
210.12512	0.4
214.09689	0.3
229.10884	0.5
237.10767	0.4
251.12865	0.4
270.44382	0.4
289.16681	1.3
303.16168	0.5
320.46011	0.3
321.17075	3.9
339.18188	1.3
357.19232	2.2
376.18637	2.5
377.19327	0.4
389.50961	0.4
420.22534	0.5
421.11526	0.8
421.20270	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	420.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27916	0.3
57.55188	0.3
59.01383	2.3
61.98827	100.0
71.01389	0.5
71.62734	0.6
78.95897	0.7
93.03475	0.7
125.09734	0.6
131.99075	0.4
164.01151	0.4
173.04584	1.8
191.05606	0.5
192.46806	0.4
201.11319	4.2
211.09784	0.5
229.10777	4.4
303.15976	0.4
321.17093	1.3
339.18085	1.8
357.19531	0.5
421.24872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82631	0.3
59.01370	2.4
61.98825	100.0
71.01382	0.4
71.17582	0.5
71.17931	0.7
78.95906	0.4
82.41890	0.3
85.02979	0.4
93.03490	0.9
97.06606	0.4
101.02469	0.5
111.13383	0.4
113.02393	0.4
125.09737	0.6
152.53503	0.4
173.04507	2.1
191.05608	1.3
201.11304	4.4
211.09770	0.5
223.13327	0.5
229.10757	5.2
303.16058	0.9
321.17084	1.4
339.18042	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01704	1.6
61.98833	4.9
67.30000	0.9
71.01379	2.7
73.02945	1.0
78.95899	0.9
83.01380	1.0
83.05009	1.0
85.02941	2.0
87.04510	87.1
88.04840	1.7
101.02407	2.4
161.04568	1.1
173.04451	1.2
191.05492	2.4
204.94099	0.9
209.11946	0.9
272.97391	0.9
277.09561	0.7
333.80380	1.0
356.20175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.02966	0.3
58.08629	0.3
59.01373	8.1
59.07037	0.3
61.98824	100.0
65.60876	0.2
67.01880	0.3
70.02975	1.2
71.01373	2.5
71.05028	1.4
71.61978	0.3
71.62420	0.3
73.02953	0.8
73.04074	0.4
74.02478	0.7
85.02944	1.0
85.64477	0.3
85.71988	0.2
87.00874	0.5
87.05619	0.3
89.02441	1.8
93.03463	1.4
94.03805	0.4
95.04987	0.3
96.96000	0.5
99.00909	0.3
99.04521	0.6
101.02434	2.9
108.24122	0.3
109.02900	0.4
111.04491	0.3
113.02486	0.7
119.03504	0.5
120.66721	0.3
128.03554	0.8
130.03317	0.6
133.02867	0.3
135.04504	0.4
136.07632	0.4
137.02405	0.3
137.82324	0.3
143.04630	1.0
146.08215	8.2
147.05901	0.5
161.02461	0.5
161.04565	0.9
162.02855	0.4
164.07193	0.5
173.04536	3.6
174.04903	1.3
176.03494	0.3
179.03375	0.3
179.05656	0.3
191.05560	1.7
192.06126	0.3
217.11899	1.7
233.09256	0.3
246.14240	0.6
251.10194	0.3
257.55759	0.5
272.08713	0.6
277.12241	10.4
283.10980	0.3
292.42673	0.3
306.07767	0.5
361.18744	0.7
377.18301	1.2
385.14151	0.4
420.14529	0.4
420.19711	1.2
420.26077	1.0
421.12158	0.7
421.20889	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73943	27.2
59.01371	100.0
61.87322	23.9
61.98810	71.2
88.98792	49.7
96.31282	24.7
96.96033	27.2
97.19289	23.6
125.34676	22.2
139.44899	24.6
156.91986	26.4
191.05586	26.8
356.98596	33.9
412.92947	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73378	25.1
59.01369	100.0
61.98812	72.7
71.17815	39.7
87.00863	49.9
111.42632	25.6
121.02956	29.6
125.59086	25.0
135.04448	23.5
221.02747	26.0
224.23758	30.1
271.04086	36.2
285.05679	70.0
383.12790	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	36.8
61.98819	17.9
69.55301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.93564	8.4
61.98827	51.0
71.63560	13.2
79.95727	7.5
80.71116	8.3
96.96021	8.3
101.77953	7.3
113.66428	7.8
122.20646	8.6
172.27708	7.2
173.04553	10.2
177.59299	6.5
191.05574	19.2
333.58084	7.6
367.64267	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98810	1.9
71.42276	1.4
71.42619	2.4
94.20329	1.2
143.45557	1.5
150.24315	1.5
240.62054	1.3
255.54634	1.6
305.10190	1.2
419.19168	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	419.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46983	0.3
59.01374	100.0
60.01713	0.8
61.98812	2.7
68.57029	0.3
69.42211	2.8
72.20565	0.3
72.47741	0.3
73.62714	0.3
142.02156	0.3
180.00729	0.3
191.05649	0.9
218.31618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98825	5.6
68.08459	0.7
71.01362	3.3
71.63243	0.9
72.49792	0.9
73.02921	1.3
81.62932	0.7
85.02925	1.8
87.04509	98.8
88.04803	1.4
95.01363	1.0
96.96011	0.9
99.59061	0.8
101.02444	2.3
113.02436	1.1
145.12309	1.0
191.05527	1.5
307.17572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01703	2.8
61.68534	2.5
67.05917	2.4
70.27370	2.7
71.62787	3.7
100.27651	3.0
120.80304	2.5
122.89335	3.2
125.87351	3.1
157.86272	4.8
182.13574	2.4
214.85654	2.9
273.64896	2.6
290.70377	2.7
296.14651	2.4
315.73218	2.4
324.47354	2.7
348.85419	2.4
350.01187	3.3
351.00186	5.2
383.10822	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	419.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11692	14.3
59.01376	100.0
61.98824	85.8
69.88892	12.3
71.01364	15.2
71.63084	14.7
71.70850	13.4
71.71677	12.8
73.62108	12.2
79.95741	32.5
94.71510	12.8
96.95995	92.0
152.99559	26.8
172.32220	15.0
314.48883	16.4
419.17145	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	48.2
59.85289	17.8
61.98828	23.3
69.98045	100.0
72.93711	17.6
98.19848	21.2
99.45708	20.7
111.00849	23.4
141.17148	20.4
172.39722	19.3
221.74469	23.5
227.00259	21.7
387.84344	17.2
419.17377	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	417.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
69.68530	1.6
69.68938	5.9
79.62400	1.1
94.39849	1.1
98.19865	2.1
108.36638	1.1
154.36334	1.0
157.66891	1.0
174.89024	1.1
274.75586	1.1
314.11530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0981
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01376	5.6
61.82052	0.3
61.98829	13.9
67.61045	0.3
69.03438	0.4
69.32653	1.2
69.33073	1.7
71.01381	1.1
79.47938	0.3
81.03439	0.8
85.02950	1.1
87.00864	0.6
89.02458	0.4
93.03460	1.5
95.01358	0.4
99.00835	0.7
101.02458	0.7
108.02169	100.0
109.02991	14.9
110.03291	0.6
111.00850	0.5
112.98806	0.5
113.02475	0.7
118.98067	0.3
121.02945	4.6
123.00859	0.4
123.04520	0.7
126.77477	0.3
133.02904	0.6
134.03781	0.5
135.04517	0.8
137.02441	0.6
142.99826	0.5
151.04059	2.5
152.01143	50.8
153.01933	17.6
154.02261	0.7
161.04561	0.3
163.03990	1.5
165.01974	0.8
167.07130	1.0
173.00883	0.7
173.04552	2.2
185.06026	0.5
191.05574	1.3
201.11229	0.4
217.69243	0.3
225.04121	0.5
259.88058	0.3
303.27124	0.3
328.15918	0.4
389.16296	0.5
419.09781	65.4
420.10126	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	419.1343
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03443	0.6
59.01374	8.5
61.98826	6.6
65.03941	0.5
71.01373	5.0
71.62532	0.6
72.99339	0.6
73.02939	1.2
77.17363	0.4
79.41539	0.4
81.03456	0.5
83.01373	1.0
83.05003	0.6
85.02936	2.1
87.00890	0.4
89.02425	1.9
91.80391	0.4
93.03450	3.7
95.01353	0.8
101.02440	2.4
105.37056	0.4
106.04238	11.0
107.05025	24.5
108.02156	2.4
108.05369	1.0
113.02431	1.7
113.60416	0.5
119.03497	0.6
119.05001	1.9
121.02952	3.6
135.04561	0.5
138.03206	0.7
139.44768	0.4
140.72542	0.4
150.03282	0.6
173.04538	1.7
182.02148	0.5
183.58484	0.4
191.05576	1.1
194.78423	0.5
211.07632	10.5
212.07973	0.7
213.09186	68.7
214.09528	4.2
216.96593	0.4
251.75847	0.5
257.08167	7.2
258.08438	0.8
299.08795	0.4
380.84808	0.5
401.22021	0.7
419.13428	100.0
419.22714	4.6
420.13739	11.4
420.22534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84369	0.3
53.40314	0.3
54.35556	0.4
59.01376	100.0
60.01703	0.9
61.98835	0.6
70.37134	0.8
88.47379	0.3
89.02457	0.3
101.02467	0.3
103.58437	0.3
111.08167	0.5
113.02439	0.3
153.39032	0.3
255.03056	0.3
258.23526	0.3
309.33408	0.3
374.41113	0.3
417.07941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2125
Annotation	17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate
Peak:m/z	Relative Intensity
50.53966	0.3
55.01868	0.8
57.03445	1.0
58.00594	1.1
59.01375	57.0
60.01707	0.6
61.98827	1.0
62.73355	0.3
65.18056	0.3
67.01881	0.3
69.03448	0.9
69.51506	1.9
71.01376	28.6
72.01720	0.5
72.99303	1.8
73.02943	22.4
81.03457	0.4
83.01378	7.0
83.05038	0.3
84.01673	0.3
85.02949	6.9
87.00864	3.0
89.02436	12.7
91.27190	0.3
93.03456	0.4
95.01360	2.1
97.02969	0.8
98.20589	0.6
99.00881	1.2
101.02435	22.3
109.02860	0.3
113.02436	10.4
114.02771	0.4
119.03490	3.6
125.02448	0.4
131.03487	0.7
131.57104	0.3
143.03481	0.8
155.03522	0.5
161.02507	0.3
161.04597	0.9
163.77773	0.3
173.04448	0.5
183.13887	1.0
191.05659	0.5
195.13875	14.0
196.14209	0.9
209.15518	0.5
213.14926	6.6
255.02948	0.4
284.84775	0.3
357.19138	13.1
358.19510	1.2
375.20184	28.6
376.20667	2.3
417.21243	100.0
418.16013	0.6
418.21576	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	417.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43745	5.8
59.01377	100.0
61.98831	57.7
62.91017	5.8
71.01379	5.3
75.00873	7.5
79.31769	5.3
85.02920	6.6
85.95656	5.4
93.03480	10.4
98.09145	5.8
111.00928	7.2
173.04544	14.6
191.05600	10.5
227.03522	11.4
233.12257	5.8
255.02966	13.8
284.03351	13.5
285.03830	8.3
343.25034	12.5
417.08344	12.0
417.16806	8.8
434.51614	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	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80902	0.9
57.03443	2.1
59.01376	87.7
59.22904	0.8
60.01707	1.3
61.98810	1.2
67.01876	1.8
69.28835	8.0
71.01376	15.4
72.17474	0.8
73.02941	4.7
75.00849	0.9
83.01371	3.3
83.05013	0.9
85.02935	5.7
87.00864	1.7
89.02428	9.4
93.03451	9.5
96.95994	1.6
97.06578	1.3
99.00883	1.8
101.02435	16.1
103.31165	0.8
107.01401	1.2
111.00826	1.2
111.04521	2.0
113.02448	6.6
119.03516	4.7
120.99664	1.1
125.02428	1.2
135.04498	2.1
137.02393	1.6
140.30423	0.8
151.00339	2.1
155.03491	1.3
161.04578	1.3
166.02698	3.5
173.03072	1.6
173.04529	21.0
174.04866	1.7
181.05049	7.2
191.03955	1.1
191.05591	15.5
192.05997	1.4
197.15425	0.9
204.36096	0.9
211.03758	0.9
227.03459	37.9
228.03860	1.9
229.04913	0.9
240.04410	1.0
241.82968	0.9
243.16040	1.1
255.02957	48.4
256.03500	5.6
284.03223	49.4
285.03912	18.8
357.19037	2.2
387.10422	0.9
399.20053	4.5
402.13693	1.1
417.08282	58.9
417.21228	100.0
418.08655	5.6
418.21503	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	417.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96508	11.9
58.94986	10.0
59.01376	100.0
61.98855	21.2
67.32287	13.7
71.62942	13.5
81.52773	11.8
96.95953	11.7
147.87868	11.7
193.33270	11.3
227.03435	13.6
255.02953	24.9
397.33386	15.1
417.08109	16.9
417.22601	14.3
417.32101	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	417.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26520	36.0
50.58100	28.1
59.01373	100.0
66.02316	33.6
71.58519	32.5
71.58852	48.4
150.20630	30.2
200.91362	30.6
216.49985	28.5
217.05672	29.3
227.03238	31.5
232.86197	42.4
255.02826	34.1
359.88467	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98847	2.4
71.63754	3.4
90.10303	1.9
105.45764	1.7
110.06772	1.7
151.52577	1.7
166.85756	2.0
202.49509	1.9
255.70085	1.6
277.18008	11.4
279.19626	5.6
295.19144	24.5
296.19290	2.5
330.57498	1.8
363.25348	4.7
381.26349	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
57.03438	2.5
59.01377	100.0
60.01692	1.3
61.98819	3.7
68.00256	1.2
69.05060	1.2
70.74117	2.2
70.74438	1.5
71.01379	62.6
72.99322	1.7
73.02947	18.8
75.00872	2.3
75.58660	1.0
83.01392	7.7
83.05039	1.2
85.02947	25.6
87.00877	4.1
89.02438	5.1
93.03461	3.9
95.01373	4.6
96.96003	2.7
97.02884	1.4
99.00855	6.6
101.02443	35.3
111.08160	4.9
113.02443	23.3
121.02978	3.1
124.54113	1.1
125.02450	1.9
137.02463	1.4
139.06575	2.5
139.07642	42.2
143.03497	5.4
159.02998	9.9
161.04544	93.6
162.04890	1.9
173.04530	12.9
191.05605	6.9
192.06033	1.6
195.06564	1.4
195.10229	8.8
205.03413	1.4
243.12357	1.5
296.61548	1.1
352.87888	1.2
357.15512	32.9
417.17847	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48628	0.2
52.35552	0.2
52.46190	0.2
57.03449	1.4
57.98289	0.2
59.01375	9.2
60.99301	0.7
67.01884	5.0
69.03448	0.8
70.63417	0.6
70.63790	0.2
71.01376	3.5
73.02940	0.7
76.68515	0.2
81.03448	0.7
83.05020	1.1
85.02947	0.7
87.00858	0.3
93.03452	27.9
94.03777	0.8
99.04536	0.3
109.02943	1.1
111.00869	0.9
111.04510	5.9
113.02441	0.5
127.03994	0.5
137.02431	6.2
138.02765	0.4
139.11288	5.9
140.11639	0.3
155.03494	5.0
156.03743	0.2
163.11275	0.3
173.04532	100.0
174.04871	3.7
181.12318	3.5
183.10251	7.4
184.10614	0.5
189.07950	0.2
191.05687	1.3
199.13370	2.4
225.11337	1.8
243.12343	27.4
244.12717	1.8
403.44409	0.2
417.17618	28.7
418.17920	3.0
419.06400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01089	1.2
59.01376	21.8
60.99306	5.2
61.98829	1.0
67.01888	9.0
69.03453	2.4
70.93441	1.2
71.01382	5.7
73.02949	1.4
79.63528	0.5
81.03442	2.1
83.05042	2.0
85.02938	1.7
86.86390	0.6
87.00873	16.3
89.02445	1.3
89.76347	0.5
92.81005	0.6
93.03452	78.2
94.03799	2.3
99.00920	0.9
99.04548	0.7
101.02424	1.3
107.05040	0.8
109.02926	0.8
111.04522	12.0
113.02451	1.3
114.14927	0.6
115.04018	0.8
118.60744	0.5
129.01912	2.4
139.11298	6.6
141.07466	0.5
143.03499	0.6
151.44220	0.6
155.03496	3.8
168.38878	0.6
169.20782	0.5
173.04524	34.5
174.04860	1.0
179.05605	0.8
180.45285	0.7
181.12340	2.6
183.10243	6.6
191.05585	8.1
199.13371	1.3
225.11357	0.7
243.12332	7.2
300.00644	0.7
357.15518	3.7
399.16541	0.9
412.16733	0.6
417.17603	100.0
418.12708	1.2
418.17984	9.9
430.38873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
59.01377	33.1
59.61367	0.6
60.28053	0.6
67.01859	0.7
69.67387	4.2
71.01383	1.4
73.02961	4.0
83.05005	1.7
93.03453	6.1
95.05013	0.8
99.04543	1.0
108.94962	0.7
111.04513	7.0
127.04043	1.2
129.02019	1.1
129.05553	0.8
137.02425	1.1
139.11278	31.8
140.11674	0.9
155.03473	7.0
157.05988	0.6
163.11324	1.6
165.09227	1.4
173.04539	20.1
174.04897	1.5
175.04970	1.2
181.12340	15.4
182.12683	0.7
183.10246	34.5
184.10532	2.6
191.05620	1.0
199.11691	0.8
199.13377	12.5
200.13840	0.8
225.11327	8.8
243.12344	100.0
244.12663	7.2
279.92465	0.6
324.20895	0.7
417.17618	64.5
418.18051	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
58.00597	0.8
59.01373	100.0
60.01676	1.8
61.98796	1.4
70.78075	2.4
71.01375	24.2
73.02943	3.5
83.01382	1.9
84.65216	0.7
85.02937	7.2
87.00861	2.6
89.02435	24.9
90.39573	0.9
93.03434	2.0
95.01340	1.6
99.00877	1.8
99.99332	0.8
101.02438	17.1
107.89602	0.8
109.02965	1.2
113.02430	11.5
119.03482	10.3
143.03462	2.9
149.04556	1.2
159.02943	1.3
161.04529	20.4
162.04947	0.9
173.04523	4.8
177.09193	5.8
179.05609	7.5
191.05626	6.0
192.06029	1.2
195.10170	1.0
243.12218	0.9
345.26370	1.0
357.11154	1.9
357.15506	32.8
358.15674	2.6
384.90463	0.9
417.17407	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	417.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
58.00574	0.8
59.01374	22.3
61.98826	22.3
67.01878	0.6
70.48875	0.6
71.01380	11.9
72.87289	0.5
72.99318	0.7
73.02949	2.3
73.17579	0.5
75.00867	0.8
81.03434	0.9
83.01376	0.7
85.02958	5.8
87.00880	1.4
89.02439	9.9
93.03452	39.6
94.03808	1.4
95.01379	0.9
96.96002	2.2
97.06577	0.7
99.00893	1.0
101.02439	7.8
107.05046	0.8
108.02190	0.7
109.02965	0.9
111.04483	0.7
113.02441	5.5
119.03468	3.8
121.02958	0.8
135.04532	1.4
135.06659	2.4
136.01631	5.2
137.02434	100.0
138.02780	4.0
147.04536	0.7
149.02437	1.2
151.03970	3.4
161.04494	1.2
173.04558	10.4
174.04836	0.8
179.03484	20.5
179.05678	1.3
179.07007	0.6
180.03889	0.9
191.05606	8.6
195.10371	0.7
209.04581	3.0
220.06038	0.7
221.04355	0.7
239.05576	15.2
240.05867	1.3
243.12318	2.4
281.06647	3.2
299.07681	1.5
372.46118	0.6
399.95453	0.7
417.13953	90.1
418.14368	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03445	1.4
58.00601	0.9
59.01377	13.8
61.98829	8.9
67.01881	0.7
68.99817	0.6
69.73715	1.9
69.74129	1.1
71.00993	0.5
71.01381	9.3
72.99307	1.6
73.02938	3.4
75.00847	0.7
75.02767	0.4
81.03457	0.8
81.35783	0.5
83.01402	1.1
83.05022	1.4
85.02945	5.7
86.92146	0.5
87.00889	1.4
87.04514	1.6
89.02440	7.0
93.03453	38.6
94.03784	1.0
95.01393	1.2
95.73790	0.6
96.96011	2.3
99.00846	0.5
99.04506	0.6
101.02448	6.6
101.06020	0.5
103.04004	0.8
111.04511	0.6
113.02425	4.2
119.03493	1.8
121.02956	0.8
125.02440	0.6
131.03471	0.7
135.04503	1.7
135.06638	4.1
136.01646	3.2
137.02435	97.9
138.02798	2.8
147.04520	0.7
149.02449	0.6
151.03978	1.7
155.03497	1.0
161.04547	0.8
162.98552	0.9
163.04057	0.6
165.00140	1.7
173.04532	9.8
179.03485	15.7
179.05798	0.7
180.03812	0.7
181.12253	0.7
191.03781	0.7
191.05595	5.1
192.99513	1.1
195.10222	1.0
208.98993	1.1
209.04506	1.7
221.04536	1.3
239.05594	9.2
243.12352	3.4
281.06604	4.1
337.04031	1.1
417.13922	100.0
418.14218	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	417.0824
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.71489	0.3
59.63043	0.3
65.00317	0.3
65.77088	0.3
69.51076	0.4
69.51475	1.9
93.03457	0.6
107.01358	0.6
135.00821	0.6
151.00352	1.6
153.01886	0.5
163.00388	0.6
178.99913	0.4
183.04474	1.4
185.06099	0.4
187.03981	0.5
198.61131	0.4
211.03964	2.1
213.05423	0.4
227.03470	69.5
228.03796	4.7
229.04996	2.3
239.03552	0.7
241.04955	0.5
255.02953	87.1
256.03540	11.7
257.04388	1.3
284.03229	77.9
285.03922	22.3
286.04312	1.1
327.05191	0.7
417.08218	100.0
418.03000	0.7
418.08536	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	416.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73035	0.4
55.01865	0.5
59.01375	8.5
61.98827	100.0
64.74903	0.5
71.01371	4.4
71.12980	0.9
71.13304	0.6
72.99303	0.6
73.02936	0.7
76.26512	0.5
83.05029	0.6
85.02941	1.9
85.20230	0.5
87.00867	0.8
88.83222	0.5
89.02435	3.4
93.03458	13.4
96.96009	0.6
101.02438	2.0
113.02452	1.7
135.06627	0.8
136.01678	1.4
137.02438	30.7
151.03983	1.2
151.22704	0.5
173.04514	4.3
177.07776	0.5
179.03477	6.7
179.05020	0.6
179.05731	0.5
184.07489	0.5
185.41707	0.5
191.03987	0.6
191.05530	3.1
191.17867	0.6
192.03876	0.5
192.10286	0.5
209.04594	1.1
210.02255	2.6
239.05518	4.0
243.12128	0.4
272.72107	0.5
281.06799	0.7
325.02368	0.5
417.13876	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31151	0.9
59.01374	100.0
60.01688	1.5
61.98814	1.4
69.39917	5.1
69.40334	1.9
98.20631	2.2
203.12907	1.1
210.60480	1.0
258.02008	1.0
347.64377	1.0
354.42676	1.0
397.09579	1.0
430.26849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3212
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
55.15402	0.7
59.01358	2.7
59.77350	0.7
71.63676	0.8
73.26130	0.6
76.35991	0.6
90.85871	0.6
171.62155	0.7
220.35295	0.7
347.59705	0.6
356.55350	0.8
415.32123	100.0
416.32431	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	415.3213
Annotation	Octadecyl (E)-p-coumarate
Peak:m/z	Relative Intensity
60.92251	0.6
67.75597	0.6
70.28534	2.0
76.17279	0.7
79.91580	0.5
117.03459	30.1
118.03706	0.7
119.05011	15.1
120.05302	0.7
121.02948	9.3
123.04518	2.8
133.02934	1.8
145.02943	39.7
146.03232	2.0
157.42966	0.6
162.03215	2.1
163.04010	5.0
209.71872	0.5
217.90526	0.5
225.99498	0.7
408.60364	0.6
415.32123	100.0
416.32428	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	415.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74374	0.5
58.02978	1.1
59.01378	5.1
59.18412	0.6
61.98817	5.5
66.03479	0.9
69.08414	0.6
71.01382	3.9
71.62276	0.6
72.99295	5.2
73.04044	1.0
74.02467	27.0
74.02889	1.3
78.95908	1.4
82.02974	1.9
84.04539	1.6
85.02939	2.2
85.04069	0.7
87.00853	0.8
88.98810	1.7
89.02433	2.0
91.00368	4.0
93.03459	2.4
94.02975	0.8
96.04521	0.7
96.96004	13.2
98.02463	1.3
100.04059	1.1
101.02415	1.3
101.07198	15.0
107.02502	1.0
109.04070	4.2
112.02827	3.5
112.04053	1.0
113.03566	1.2
116.07182	3.6
121.02935	2.5
123.08061	0.9
123.39488	0.6
125.03555	3.1
126.05583	3.2
126.09224	0.6
127.05126	29.6
128.03537	1.3
128.05400	0.8
129.10329	21.7
130.08752	1.2
134.03743	3.8
135.03593	0.9
135.04538	11.5
136.11310	0.8
137.02435	1.2
139.08748	2.0
140.07149	2.9
141.06686	1.7
145.06183	38.1
146.06509	0.8
149.06078	1.7
151.03981	0.8
153.06648	0.8
154.31830	0.8
155.08264	4.2
161.02422	4.7
169.09799	0.8
169.13445	0.8
173.04556	5.8
173.09277	7.1
178.02689	1.7
179.03479	2.1
179.11874	2.0
180.10240	4.8
181.13451	1.2
182.28938	0.6
183.15039	1.1
191.05598	19.9
193.05066	5.9
195.11449	0.8
197.12920	2.1
207.14989	1.1
211.14412	1.6
222.12473	1.9
223.10776	3.8
240.13504	1.2
242.18733	12.5
253.07103	1.4
278.18640	1.8
286.17749	1.1
299.20587	0.9
327.23721	1.0
340.18735	4.7
341.08835	3.0
353.08652	1.7
353.21960	4.9
354.22101	0.8
366.74146	0.7
379.05991	1.0
397.15662	1.3
397.20905	25.7
398.21143	2.5
415.21933	100.0
416.22275	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	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
60.99432	0.5
70.83308	0.6
70.83617	1.1
74.98714	0.7
74.99107	6.5
77.00664	77.2
128.21870	0.6
147.08136	1.6
149.09715	1.7
161.09723	1.1
163.11320	2.2
187.11282	2.4
268.59518	0.6
279.13882	0.8
280.14694	1.6
281.15198	0.8
289.21698	0.9
307.17020	0.9
309.22147	2.1
337.21710	100.0
338.22049	14.7
371.25864	0.7
415.23068	18.5
416.23282	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	415.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
56.02229	0.2
56.98106	0.2
57.03440	1.9
58.00585	0.9
58.79564	0.2
59.01376	51.5
59.11943	0.3
60.01705	0.6
69.03455	0.7
70.76844	0.3
70.77198	0.4
71.01378	24.2
71.05009	0.2
72.01712	0.3
72.99301	1.3
73.02943	10.2
75.00874	0.5
83.01379	5.3
85.02945	13.5
86.00072	1.1
86.03283	0.2
87.00868	1.9
89.02436	6.3
93.03457	0.6
95.01375	2.4
97.02941	0.8
99.00877	3.0
101.02435	20.6
102.02791	0.5
102.98624	0.4
111.00859	0.4
112.01623	0.2
113.02438	9.4
114.02766	0.3
119.03493	2.5
120.99634	0.2
125.02435	0.7
129.01944	0.3
131.03473	0.5
137.02502	0.3
142.02696	0.4
143.03453	1.0
145.09811	0.7
149.13362	0.4
159.02942	0.7
161.04538	1.8
173.04559	1.0
174.49236	0.2
191.05547	0.4
193.12257	1.3
211.13394	1.6
220.29843	0.2
329.19641	1.8
355.17545	8.5
356.17856	0.6
373.18619	27.1
374.18964	2.4
415.19672	100.0
416.20029	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	415.1969
Annotation	Spironolactone
Peak:m/z	Relative Intensity
55.01867	1.9
55.09538	0.3
57.03450	2.5
57.79111	0.3
58.00594	1.1
59.01374	54.2
63.01554	0.4
67.19550	0.4
69.03451	0.7
69.30873	3.5
71.01377	23.1
72.01721	0.5
72.99304	1.8
73.02937	11.3
81.03420	0.4
83.01378	5.1
85.02940	13.6
86.00110	1.5
86.60033	0.3
87.00872	1.5
89.02435	6.3
91.55346	0.3
95.01367	2.6
97.02959	0.7
98.20618	0.9
99.00864	3.3
101.02435	20.6
111.00875	0.9
112.01690	0.6
113.02444	9.2
119.03479	1.9
125.02417	0.7
143.03435	0.8
145.09811	0.8
154.11197	0.4
161.04581	1.7
173.04539	0.9
191.05731	0.5
193.12335	1.2
211.13405	1.9
329.19543	1.8
355.13538	0.7
355.17587	9.3
356.18073	1.0
373.18625	26.7
374.18866	1.9
415.19666	100.0
416.19998	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	415.1971
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
54.52530	0.4
55.01868	1.6
57.03446	1.1
58.00587	2.0
58.00848	0.4
59.01374	100.0
59.95959	0.4
60.01698	1.4
65.04760	0.4
69.03455	1.6
69.34815	4.2
71.01376	52.4
72.99319	2.4
73.02940	73.8
74.03257	1.2
75.00877	1.0
81.03424	0.8
83.01380	22.5
83.04971	0.5
84.01714	0.7
85.02938	8.0
87.00874	1.3
89.02438	15.3
90.98578	0.5
93.03465	0.7
95.01397	2.5
97.02953	1.0
98.20692	0.7
99.00884	2.4
99.04620	0.4
101.02434	66.2
102.02763	1.4
104.02545	0.4
111.11492	0.5
113.02437	15.4
114.02791	0.7
119.03497	6.0
125.02409	3.1
131.03462	4.5
135.11803	0.6
137.06017	0.5
138.72653	0.5
143.03471	4.5
145.09808	1.9
149.04523	3.6
151.00328	0.5
155.03519	2.2
161.04544	12.8
169.01421	1.2
173.04572	1.2
188.22804	0.5
191.05566	0.9
193.12289	9.6
194.12624	0.6
203.05641	0.8
211.13358	17.3
212.13669	0.7
249.11049	0.5
335.53113	0.5
355.17447	3.5
373.18634	10.2
374.18924	0.9
415.19577	30.6
415.31497	3.8
416.20053	3.6
416.31412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86349	0.3
59.01373	100.0
60.01707	1.3
69.58617	2.2
110.16559	0.4
115.53374	0.3
226.53656	0.3
268.22073	0.3
279.22769	0.4
310.63989	0.3
310.78955	0.3
349.46640	0.3
408.47382	0.4
431.10828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
58.00583	0.5
59.01376	17.8
67.01886	4.5
69.03437	0.8
69.79541	1.6
69.79950	0.5
71.01387	5.3
73.02946	1.6
77.56087	0.4
79.11648	0.4
81.03458	0.9
83.05022	1.3
85.02954	1.7
87.00890	0.8
89.02444	3.9
90.03087	0.4
93.03453	27.0
94.03785	1.0
98.20601	0.5
99.00877	5.9
99.04533	0.5
100.37849	0.4
101.02435	1.6
109.02961	0.7
111.00896	1.2
111.04511	5.0
113.02451	2.0
119.03547	0.6
127.04032	0.5
130.41083	0.4
131.03468	0.5
137.02426	5.6
137.09740	0.4
149.04539	2.8
155.03491	4.4
161.04570	1.5
163.07660	0.5
169.09663	0.4
173.04536	100.0
174.04871	3.9
181.08696	2.0
191.05597	6.5
197.11815	8.3
197.13499	0.7
198.12183	0.7
241.10800	11.2
369.15445	0.5
415.16052	18.8
416.16348	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	413.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94567	0.5
57.03458	0.5
58.00578	0.7
59.01374	100.0
60.01722	1.3
69.77267	1.0
69.77677	2.3
70.30356	0.5
71.01375	12.6
73.02940	16.7
83.01377	3.8
83.85037	0.5
85.02943	2.4
87.00874	0.5
89.02438	3.4
99.00949	0.6
101.02437	15.0
101.03078	0.9
105.58985	0.5
113.02426	5.8
119.03496	1.6
125.02423	0.6
131.03523	1.3
134.49887	0.5
141.70464	0.6
143.03485	1.3
149.04533	1.2
161.04544	3.8
170.43079	0.5
173.04561	0.6
191.14397	0.6
212.18597	0.5
286.16931	0.5
353.19855	0.6
371.20731	0.5
390.30215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
59.01374	100.0
60.01719	0.8
71.01376	7.4
71.39476	0.7
71.39797	0.8
73.02946	2.2
81.83662	0.6
83.01381	1.7
85.02946	3.1
89.02461	2.6
99.00876	1.4
101.02441	5.7
113.02444	3.3
114.63614	0.7
119.03535	1.3
129.99956	0.7
131.66800	0.8
152.99545	0.8
161.04562	2.2
173.04587	0.7
208.78265	0.7
302.90637	0.7
334.25064	0.8
353.19839	1.0
371.20679	7.0
413.22174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03434	0.3
58.00588	0.3
59.01377	100.0
60.01714	1.1
61.98835	0.4
67.01917	0.3
69.03465	0.3
71.01379	9.0
71.05025	0.9
72.99337	0.4
73.02943	6.3
83.01397	1.8
85.02951	2.8
87.00883	0.5
89.02437	2.5
93.03451	0.5
95.01406	0.6
99.00868	0.5
101.02438	6.1
101.03064	0.3
106.29645	0.2
113.02439	3.2
119.03522	0.7
125.02489	0.6
131.03474	0.3
137.09697	2.3
137.21815	0.2
139.11290	2.7
143.03516	0.6
148.70444	0.3
149.04608	0.6
153.37276	0.3
159.02980	0.5
161.04564	2.7
165.12950	0.3
173.04597	0.6
179.05560	0.3
181.13705	0.2
191.05754	0.3
191.14476	0.7
209.15453	5.0
210.15826	0.4
229.12219	0.4
353.19519	0.5
370.29599	0.3
371.20718	2.0
413.21835	0.9
414.28818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70981	0.2
56.87145	0.2
57.03453	0.3
59.01374	100.0
60.01714	0.9
69.34943	1.9
71.01374	2.6
73.02940	0.7
83.01405	0.4
85.02958	1.0
89.02450	0.7
98.19902	0.4
99.00880	0.3
101.02435	1.5
113.02451	0.9
119.03485	0.3
161.04558	1.0
179.05615	0.2
181.37308	0.2
198.91026	0.3
202.88362	0.2
209.15536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59247	0.5
59.01373	100.0
60.01707	0.8
61.98824	3.8
67.01878	0.7
70.01272	0.5
70.80356	0.5
71.01376	7.4
73.02945	2.9
76.03496	0.5
78.95909	1.1
83.01398	1.1
85.02942	3.1
87.00920	0.7
87.02729	0.7
89.02432	5.3
93.03468	2.6
96.96053	0.7
99.00893	1.2
101.02436	5.1
101.30497	0.4
113.02451	2.9
119.03506	1.6
125.02466	0.7
135.04565	0.6
137.02440	1.1
143.03513	0.7
147.66560	0.5
149.04591	1.9
149.99631	0.5
152.99623	1.2
161.04498	0.9
168.00612	1.0
173.04514	7.7
179.05672	0.6
191.05634	1.9
233.99623	0.5
250.65434	0.4
270.35367	0.5
413.10840	0.9
413.17218	0.7
413.22379	0.7
420.93970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28991	0.2
54.46376	0.2
57.03433	0.3
57.80249	0.2
59.01376	100.0
60.01701	1.3
61.98840	0.4
69.03463	0.4
71.01377	9.3
71.63689	0.4
72.99307	0.4
73.02943	9.1
75.00854	0.2
78.86959	0.2
81.03464	0.3
83.01388	2.9
84.01696	0.2
85.02952	1.6
87.00889	0.4
89.02439	2.4
90.58871	0.3
93.03456	0.3
95.01400	0.4
97.02875	0.3
99.00892	0.3
99.04497	0.3
101.02436	8.8
110.89878	0.2
112.01490	0.2
113.02441	3.8
119.03472	1.2
131.03523	0.6
134.69029	0.3
143.03566	0.5
149.04556	0.9
152.99593	0.3
155.03520	0.4
161.04568	1.6
173.04523	0.7
191.05591	0.5
191.14468	0.3
221.06795	0.3
247.16722	0.3
251.16641	0.4
353.19794	0.5
413.17722	0.4
414.28937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03443	1.0
59.01375	100.0
60.01688	0.8
61.98830	6.9
71.01376	7.7
71.63160	1.2
72.59869	0.7
73.02945	2.8
78.95925	0.7
82.99711	0.8
83.01405	1.8
85.02939	4.9
89.02441	1.3
99.00900	1.4
101.02435	8.2
108.98977	0.8
113.02438	3.7
159.02950	0.7
161.04590	2.8
173.04591	1.2
189.96162	0.7
239.75984	0.8
245.17477	1.3
251.98329	0.8
291.18115	10.9
333.19241	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	413.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
61.98790	0.2
62.96381	0.2
69.62404	1.4
71.01365	0.5
78.95898	56.0
85.02933	0.3
85.85852	0.2
89.02477	0.3
93.03434	0.3
96.96952	6.3
98.19808	0.2
113.02444	0.4
150.12552	0.2
150.98009	1.7
152.99577	100.0
153.99956	1.4
160.01572	0.4
161.02428	0.2
167.39948	0.2
171.00630	4.4
173.04500	0.7
175.04016	0.4
188.63016	0.2
191.05609	0.4
208.24226	0.2
209.11792	2.1
238.24699	0.2
381.13174	19.3
382.13443	1.4
413.15726	9.3
414.16122	0.7
414.21225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05492	0.3
59.01370	2.3
61.98825	100.0
66.86537	0.3
69.86032	1.4
89.02445	0.3
93.03477	0.4
96.96022	0.4
98.19887	0.3
101.02483	0.3
104.03671	0.3
126.60429	0.2
135.04558	0.4
137.87894	0.3
140.07268	0.3
173.04506	0.8
175.02428	0.3
191.05582	1.6
245.63261	0.2
305.66455	0.3
352.20169	0.3
367.37961	0.3
408.40366	0.3
412.12027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	28.0
59.01674	1.4
61.98827	1.0
62.96806	0.6
69.97661	1.4
69.98063	0.9
91.17226	0.6
94.60670	0.6
104.02676	4.0
148.01640	7.6
176.01132	68.6
177.01466	3.0
191.03484	100.0
192.03801	4.8
201.01862	0.5
241.34225	0.6
390.77271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03443	38.5
58.03792	0.9
59.01373	42.8
61.90875	0.6
61.98830	1.9
69.65514	4.5
71.01372	13.8
73.02940	4.6
78.95898	10.0
83.01377	3.3
85.02945	8.4
87.00857	1.3
87.97225	0.6
89.02437	2.7
93.03439	1.4
94.33140	0.7
95.01381	1.0
96.96008	1.0
96.96962	1.4
97.02948	0.8
98.20676	1.3
99.00876	1.9
99.04512	32.1
100.04849	1.1
101.02435	17.8
113.02445	6.0
119.03482	1.2
119.04948	0.6
121.02963	2.1
125.02438	10.0
132.02151	17.1
132.03149	0.9
133.02992	4.1
134.03729	14.8
135.04485	0.8
137.02435	2.4
139.04030	0.7
143.03493	1.0
149.06087	1.8
152.99577	15.3
159.02972	1.1
160.01642	82.5
161.02023	4.3
161.04565	4.0
171.00597	0.7
173.04543	4.1
175.03983	100.0
176.04308	5.0
178.02699	1.1
179.03426	1.4
191.05617	2.6
193.05042	15.4
237.09634	0.9
269.10263	10.0
289.19547	0.8
370.19907	0.8
381.13217	2.5
398.12225	1.1
404.02252	0.7
413.14468	81.7
414.14761	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	411.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83874	1.9
59.01376	20.5
61.98827	27.6
62.06551	2.6
71.01406	3.2
71.39678	3.5
72.99283	3.8
75.00866	55.5
76.99535	2.1
89.02428	9.4
93.03442	6.8
121.10218	17.4
135.02989	68.7
137.79739	2.3
160.54378	3.0
160.82703	2.2
171.10254	44.3
275.20132	97.3
276.20584	12.5
293.21201	100.0
294.21448	7.7
332.39203	2.4
389.87061	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	411.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00559	0.3
57.10363	0.3
58.68194	0.4
59.01373	100.0
60.01712	1.3
60.48048	0.4
67.12888	0.3
67.50976	0.3
69.72733	0.8
69.73129	0.8
84.74979	0.3
85.80501	0.3
98.20687	0.5
148.12276	0.3
199.37181	0.3
268.94742	0.3
273.33276	0.3
276.75339	0.3
320.25537	0.3
345.38162	0.3
417.16547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41861	0.3
53.76395	0.3
59.01376	30.3
61.98827	100.0
64.66632	0.4
65.32362	0.3
69.36923	0.4
71.01368	2.4
71.62754	0.9
73.02941	1.4
75.15641	0.4
80.77569	0.4
83.01405	0.6
84.77355	0.3
85.02950	1.2
87.00909	0.4
89.02454	0.6
96.96030	1.4
99.32724	0.4
101.02461	1.7
109.87284	0.4
113.02438	1.0
114.45650	0.4
161.04568	0.7
168.27563	0.4
173.04567	0.6
177.93932	0.4
191.05620	1.2
205.11957	0.5
237.76176	0.3
263.15024	2.3
305.16162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05332	0.4
57.03452	0.9
59.01374	100.0
60.01702	1.0
61.14895	0.6
61.98842	1.2
66.47715	0.5
69.03467	0.7
70.76912	1.2
70.77264	0.6
71.01378	21.8
72.99290	1.0
73.02940	18.9
75.00877	0.8
75.35869	0.5
76.97208	0.5
78.95916	0.5
81.03484	0.7
83.01386	5.8
83.05024	1.7
85.02945	4.9
87.00894	1.1
89.02435	8.3
95.01402	1.2
101.02435	19.9
108.46452	0.5
113.02439	12.2
119.03497	3.7
120.59283	0.5
121.06622	0.7
125.02457	0.9
131.03502	1.7
134.03767	0.9
137.09712	7.8
143.03513	1.5
143.77797	0.5
149.04533	1.5
151.77359	0.5
155.03516	0.6
161.04547	4.4
164.79645	0.5
171.66855	0.5
173.04523	1.8
179.05647	1.8
189.12866	1.0
191.05690	2.2
210.99124	0.5
287.30872	0.6
298.65451	0.5
363.57077	0.6
391.77698	0.5
411.27466	3.5
411.77472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57991	0.3
54.18838	0.4
55.01874	0.5
57.03445	0.5
58.00566	0.6
59.01375	100.0
60.01723	1.2
61.28018	0.4
61.98831	3.4
62.18812	0.4
63.57177	0.4
69.03458	0.6
69.49239	3.1
69.63393	0.4
71.01376	19.7
72.99326	0.9
73.02943	18.2
73.31373	0.3
75.00893	0.5
83.01377	4.0
85.02948	4.1
87.00897	0.6
89.02435	6.8
93.03471	0.8
95.01400	1.1
96.27512	0.3
98.19837	0.4
99.00880	0.5
100.93086	0.3
101.02434	19.8
102.02795	0.4
106.96697	0.3
113.02441	10.1
119.03477	2.6
121.06609	0.9
125.02460	1.1
131.03513	1.6
137.09715	7.2
143.03542	1.4
149.04555	1.0
155.03496	0.5
161.04512	3.2
173.04529	0.5
179.05591	0.9
189.12888	0.9
191.05666	0.8
210.14268	0.3
221.06714	0.5
245.14868	0.4
274.78809	0.4
280.03516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54136	0.5
57.46726	0.5
58.45543	0.4
59.01375	23.4
60.01708	1.2
61.98827	100.0
71.01360	3.2
71.62556	0.5
73.02943	2.8
83.01376	1.3
83.05060	0.5
85.02949	1.0
86.49339	0.5
87.15987	0.5
89.02444	1.7
93.03423	1.2
101.02435	4.7
109.02903	0.7
113.02452	1.3
119.01385	0.5
119.03578	0.6
131.03465	0.6
150.66110	0.6
161.04591	1.7
173.04584	2.0
191.05637	3.8
239.26773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54136	0.5
57.46726	0.5
58.45543	0.4
59.01375	23.4
60.01708	1.2
61.98827	100.0
71.01360	3.2
71.62556	0.5
73.02943	2.8
83.01376	1.3
83.05060	0.5
85.02949	1.0
86.49339	0.5
87.15987	0.5
89.02444	1.7
93.03423	1.2
101.02435	4.7
109.02903	0.7
113.02452	1.3
119.01385	0.5
119.03578	0.6
131.03465	0.6
150.66110	0.6
161.04591	1.7
173.04584	2.0
191.05637	3.8
239.26773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1264
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.23280	0.5
53.87319	0.5
59.01365	3.1
61.98825	1.8
62.17756	0.6
63.42148	0.5
64.05253	0.5
65.45420	0.5
70.20629	0.4
70.76326	1.6
71.01368	1.5
72.00902	27.4
74.02464	15.4
85.02946	0.9
87.00870	0.8
89.02445	0.9
93.03444	0.9
96.96008	4.0
100.00394	34.5
100.04036	3.2
101.02428	0.8
118.05095	100.0
119.05432	1.7
134.04710	1.2
135.04485	0.6
144.03011	35.9
145.03391	0.9
147.99661	0.5
152.04796	0.9
160.02606	5.9
173.04561	1.8
191.05615	4.0
211.06075	2.2
265.80063	0.5
274.80679	0.6
279.68912	0.5
317.00754	0.5
347.05569	0.5
373.11218	0.8
411.13083	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	409.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08191	17.5
69.71317	100.0
78.95885	27.0
98.20556	21.5
124.62585	16.7
152.99571	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53204	1.6
61.98827	2.0
70.65012	4.5
82.57645	1.7
89.24213	1.8
96.73924	1.5
96.95998	4.8
117.03448	13.9
119.05015	12.0
121.02966	6.7
145.02945	32.4
163.04034	3.6
197.01759	1.7
373.27429	100.0
374.27744	12.2
409.26279	3.6
409.31641	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	409.2357
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
52.11235	0.5
52.56416	0.5
58.26235	0.5
59.01370	1.0
61.98823	0.6
66.38203	0.5
70.52544	1.9
71.05025	2.2
76.87609	0.4
77.57028	0.5
78.95898	69.4
87.25026	0.5
90.87132	0.5
96.96952	5.4
118.95199	0.5
133.85683	0.5
150.97972	2.5
152.63689	0.5
152.99574	100.0
153.99928	1.6
163.11273	5.1
166.18301	0.5
171.00638	2.2
181.07201	0.5
255.23257	2.0
306.73553	0.5
337.21600	1.2
374.55478	0.5
409.23538	15.1
409.27695	5.2
410.23743	1.9
410.28415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55921	2.4
57.03428	10.3
58.00597	4.3
59.01380	21.0
61.98814	11.8
68.44836	2.9
71.62698	4.9
80.63113	2.5
80.91666	13.8
85.02959	3.8
109.02950	2.9
113.09732	18.4
125.09744	12.2
127.11266	12.0
137.09726	2.8
141.09204	9.6
145.58958	2.4
153.09229	4.4
155.10774	7.1
163.38480	2.7
165.09148	4.8
167.10730	3.8
171.10257	5.1
181.08473	4.2
183.10129	3.1
191.05452	4.0
193.08438	14.4
195.10208	5.0
201.11301	75.7
205.08293	3.0
207.09973	3.3
209.07858	8.4
213.11325	45.3
214.11629	3.2
223.09518	91.7
224.09958	3.7
235.09502	36.7
241.09268	23.1
242.09534	3.7
249.11041	8.3
257.64767	2.7
267.06720	3.7
291.19525	6.1
294.36121	3.2
309.20572	10.0
319.17761	3.9
327.21759	100.0
328.22134	13.0
331.18872	57.3
332.19043	7.4
349.18698	17.0
397.77261	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	409.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75074	0.6
55.01873	0.9
58.00593	0.7
59.01373	100.0
60.01707	1.2
61.98829	2.6
67.01875	0.8
69.61774	4.0
71.01374	20.3
72.99294	2.2
73.02944	2.0
83.01389	1.9
83.05088	0.6
84.42720	0.7
85.02942	8.1
87.00873	1.6
87.69344	0.6
89.02431	29.1
93.03455	4.5
95.01357	1.2
98.19913	1.5
99.00893	1.0
101.02433	12.9
111.04479	1.4
113.02423	9.4
119.03485	11.4
131.03455	1.7
132.23035	0.6
133.42867	0.7
134.03619	1.2
143.03479	2.9
161.04532	3.6
173.04510	5.9
173.05870	1.0
179.05582	10.6
180.05966	0.8
187.13280	0.9
191.05588	27.5
191.07321	1.4
192.05922	2.2
217.05029	0.8
248.00227	2.3
349.11508	1.8
349.18524	3.9
356.63593	0.8
373.18631	2.9
391.19568	3.0
409.12332	0.9
409.20752	23.9
410.20950	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	409.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25866	0.4
57.23056	0.4
59.01373	100.0
60.01711	1.2
61.98825	47.8
67.01895	1.5
69.03458	0.7
71.01373	5.3
71.62727	0.6
72.99299	0.6
73.02932	2.9
73.86027	0.4
75.88290	0.4
78.05917	0.4
81.30980	0.4
83.01382	1.4
85.02948	3.9
87.00877	1.5
89.02450	2.0
93.03453	6.7
95.01379	0.5
101.02431	4.8
109.02952	0.7
111.04495	1.3
113.02473	2.0
119.03494	0.5
121.02966	0.5
133.02977	0.9
135.04500	3.0
137.02423	0.7
143.03499	0.6
145.02957	0.8
149.04623	0.5
155.03471	1.4
161.04594	2.4
173.04532	11.5
173.06017	0.9
174.04886	1.2
175.16772	0.5
179.03473	1.5
191.05577	21.4
192.05969	1.4
194.77039	0.4
242.05043	0.5
242.55557	0.7
264.55038	0.5
268.07251	0.7
289.16617	0.7
291.09094	0.6
307.17642	3.0
335.07816	0.5
337.03833	0.6
349.18512	3.3
353.08609	0.6
400.10986	0.9
400.61517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01721	1.3
61.98822	33.2
67.01888	1.5
68.57722	0.6
69.03455	0.9
71.01376	3.9
72.99282	0.5
73.02947	1.7
81.03421	0.5
85.02951	4.0
87.00879	1.3
89.02440	1.4
93.03451	6.1
96.96011	0.7
97.06580	0.6
99.76759	0.5
101.02423	3.5
109.02953	0.8
110.06394	0.5
111.04537	0.6
113.02443	1.6
119.14033	0.4
120.99715	0.6
127.04003	0.5
135.04520	2.2
137.02452	1.3
145.02939	0.5
155.03499	1.0
161.02486	0.6
161.04562	1.6
173.04532	9.2
174.04857	0.5
179.03558	1.1
191.05577	20.8
192.05887	2.2
223.34961	0.5
229.08810	0.5
255.06534	0.5
267.06805	0.8
279.87610	0.4
289.16412	0.8
307.17682	3.1
335.07278	0.6
337.03256	0.6
338.04504	0.5
349.18655	3.4
353.08673	0.6
358.11752	0.5
400.10965	1.7
400.60992	0.7
409.19409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16711	0.6
55.01881	1.2
57.03438	1.6
58.00607	0.9
59.01374	100.0
60.01691	1.2
61.98829	3.3
67.01897	1.1
71.01378	21.9
71.63007	0.9
72.99322	1.4
73.00639	0.7
73.02944	4.4
75.00867	0.7
75.76158	0.5
82.96930	0.7
83.01389	2.8
83.05022	0.8
85.02937	11.0
87.00869	3.0
89.02440	16.6
93.03458	6.1
95.01389	1.6
96.96056	0.6
99.00896	2.0
101.02440	17.3
101.03073	1.1
108.76745	0.5
109.02974	1.2
111.04518	1.3
111.28631	0.6
111.65409	0.6
112.05247	0.6
113.02432	9.7
119.03506	6.3
125.02482	0.7
125.06076	1.3
126.81132	0.6
129.84608	0.6
135.04568	1.3
137.02513	0.9
143.03510	1.3
152.03445	0.6
158.02499	0.7
159.03000	2.1
161.02361	0.8
161.04512	12.7
163.04082	0.7
173.04523	8.6
173.05989	0.8
173.41960	0.6
174.04846	0.7
179.04298	0.6
179.05563	3.3
191.05588	22.0
192.05951	2.0
194.25696	0.8
205.44147	0.6
234.04121	0.6
247.09761	0.9
273.51453	0.7
300.09668	0.7
305.16025	43.2
306.16406	3.7
331.17618	15.2
332.18149	1.2
349.18765	2.7
355.90790	0.7
365.13940	0.7
400.10672	0.9
409.11053	1.1
409.20389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06573	0.8
59.01376	13.2
61.98829	8.2
67.01869	1.1
70.02974	1.4
70.97581	1.4
70.97927	2.0
71.01385	4.5
71.02496	5.6
72.00906	4.0
73.04070	24.4
74.02463	1.0
75.00873	3.1
79.95734	2.4
81.43015	1.0
83.02508	3.2
85.02926	2.4
85.04071	2.8
85.06566	2.3
87.00870	1.1
87.05627	2.6
89.02455	3.5
91.05557	2.5
92.92780	1.0
93.03446	7.3
95.02477	3.0
96.96003	54.5
99.02007	5.8
101.02409	2.5
103.05122	25.6
111.01997	3.3
111.04470	2.9
112.05160	20.1
112.05875	2.0
113.02419	2.0
113.03578	12.4
119.03507	1.3
129.04662	1.4
129.05576	15.5
130.06213	44.7
136.01701	0.9
137.02452	3.7
142.06136	1.4
143.04616	2.9
144.07744	3.9
147.04515	12.0
149.02434	2.8
150.03223	4.5
154.72014	0.9
161.04549	2.0
164.07147	37.4
165.05566	8.9
165.07547	1.8
169.07301	35.1
170.05666	1.2
173.04536	17.8
177.10306	10.9
179.05563	1.4
184.97627	1.7
187.08344	20.1
191.05670	4.9
195.06587	2.3
200.06766	6.1
202.98830	1.6
203.08228	3.1
210.99225	1.5
220.82925	0.9
221.09265	4.5
234.12468	8.6
256.04620	1.0
261.38513	1.2
289.02390	3.2
291.14581	9.2
292.14923	1.1
311.07745	5.1
335.13644	5.0
347.13599	3.7
349.15063	1.5
349.18817	1.2
361.13004	3.3
365.14597	100.0
366.14984	9.5
409.04477	4.0
409.17242	24.0
410.17661	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.1
61.98820	1.1
67.01879	0.8
71.01372	0.9
71.17728	0.7
76.78372	0.4
78.95895	1.9
85.02959	1.1
87.00896	0.6
93.03465	3.8
94.08487	0.5
101.02411	0.6
102.98607	0.7
121.02945	100.0
122.03284	3.9
133.02988	0.7
134.61964	0.4
135.04509	1.3
137.02365	0.5
155.03448	0.7
161.02396	0.6
173.04518	5.1
176.04089	0.5
179.03548	0.7
191.05566	5.5
365.13742	0.5
400.10944	1.1
400.61176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.4
60.18677	0.7
61.98835	5.6
67.01883	1.0
71.01378	4.5
71.02473	0.8
71.61917	0.8
72.00906	0.9
73.02925	1.6
73.04058	5.1
73.56120	0.7
75.00865	1.2
75.67540	0.7
78.95905	1.4
79.95731	2.1
83.02502	0.9
83.04964	0.6
84.95146	0.9
85.02957	2.1
85.06594	3.9
89.02447	2.9
91.05522	1.0
93.03460	10.3
93.98685	0.7
96.96005	100.0
99.00896	1.7
99.01986	2.2
101.02454	1.3
103.05145	5.0
111.02020	0.9
111.04507	2.4
112.05145	4.6
113.02451	1.2
113.03594	2.1
114.64273	0.8
125.02428	1.6
129.04659	1.4
129.05576	18.5
130.06223	11.6
137.02444	7.6
142.96683	0.8
143.03571	0.9
147.04504	3.8
149.02444	3.2
149.04532	1.8
150.03238	5.7
155.03461	1.6
161.04565	1.0
164.04880	0.9
164.07144	8.5
165.05566	10.2
169.07297	9.7
173.04532	31.7
177.10324	3.1
179.05638	0.7
184.97707	2.4
187.08340	4.3
191.05635	5.5
195.06618	1.9
200.06815	1.7
202.98770	1.9
203.08290	1.0
210.99236	0.9
221.09326	1.0
234.12422	1.7
271.01337	1.1
289.02356	4.3
291.14651	2.6
311.07635	9.3
312.07938	0.9
335.13620	2.3
349.02808	1.6
349.14853	1.8
361.12747	3.6
365.14615	24.8
366.15057	1.7
409.04385	6.3
409.17239	5.7
410.04874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
56.81871	0.5
58.34555	0.5
59.01371	2.9
69.23676	0.6
78.95895	55.5
81.38004	0.5
90.97874	0.5
96.96954	6.0
98.20728	1.1
110.98460	0.7
150.98016	2.3
152.99570	100.0
153.99905	1.2
171.00592	6.4
185.02161	0.7
229.64063	0.8
239.20135	8.1
240.20433	0.7
253.21765	1.4
284.41187	0.6
325.23672	0.7
345.26105	0.9
407.21848	8.9
408.22409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23931	0.4
58.78316	0.3
59.01365	0.8
61.98825	100.0
65.13811	0.3
67.31139	0.3
69.74505	0.9
69.74897	0.8
78.95914	0.6
91.99284	0.3
96.96967	0.3
102.23972	0.3
119.12379	0.4
124.02617	0.3
150.60979	0.3
152.99544	0.4
157.71606	0.3
159.68178	0.3
160.60442	0.3
161.96597	0.3
164.20053	0.4
166.91872	0.3
409.19202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98830	0.4
64.18748	0.3
70.68860	0.5
70.69205	0.6
78.95899	100.0
96.96961	9.8
114.42178	0.4
150.98027	0.8
152.99576	85.8
153.99860	1.4
171.00629	71.2
172.00955	0.7
187.06360	0.4
212.63158	0.4
286.51822	0.4
359.25708	0.4
407.21954	4.2
408.22186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2203
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01377	3.2
61.82994	0.7
64.61188	0.8
78.95898	100.0
81.80151	0.7
95.80235	0.7
96.96947	6.8
117.48849	0.7
150.98068	0.8
152.62314	0.8
152.99576	89.2
153.99918	1.4
168.60405	0.7
171.00621	67.0
172.01038	1.0
347.16904	1.0
404.61353	0.7
407.17468	0.8
407.22083	4.4
417.78583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.1
59.01377	42.9
61.98823	4.0
64.31581	2.2
71.01394	3.8
71.62993	4.3
79.87987	2.4
79.95741	12.8
80.91678	38.8
80.96511	7.5
83.01358	4.9
96.95995	22.8
97.06613	4.5
109.02945	3.3
109.06593	3.0
111.08157	13.2
113.02388	3.0
113.06092	3.1
123.04504	6.3
123.08153	4.3
125.06084	2.5
125.09693	26.5
127.11263	10.5
135.08122	4.3
137.09692	10.3
141.09248	6.4
151.11256	3.4
153.09178	6.1
155.10696	2.9
164.08330	4.2
165.09151	3.6
167.10722	3.2
169.08649	2.4
169.12411	2.6
171.10258	21.3
181.08482	2.6
183.10045	3.6
191.06947	3.6
193.08455	18.4
195.10255	4.8
199.09723	4.3
201.11296	62.4
201.13181	4.0
205.08293	3.3
207.09975	7.3
209.07878	9.4
213.11316	43.5
219.09964	8.9
223.09512	100.0
224.09883	5.4
225.07413	2.9
235.09479	42.3
236.09987	2.9
241.09215	12.6
248.10184	2.9
249.10983	5.6
258.68860	2.3
260.10233	26.1
261.10385	2.8
269.15302	2.8
278.11285	53.1
287.16217	3.2
289.18063	14.6
307.19113	25.1
308.19376	2.9
311.16415	6.0
319.17935	3.1
320.10931	4.9
325.20145	93.6
326.20541	8.7
329.17297	70.7
330.17548	6.0
338.12170	3.6
347.18057	30.3
348.17886	2.9
369.34927	2.6
407.17181	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32316	1.9
59.01371	14.0
61.98825	39.8
68.99549	2.2
69.03403	2.9
71.01338	2.6
71.10124	3.4
71.10464	2.7
71.44431	1.9
75.00873	13.0
78.95896	49.0
79.95718	3.5
95.07794	1.8
96.95988	88.4
96.96944	100.0
97.02926	10.5
119.03009	1.9
154.83266	2.2
171.10246	5.7
227.99374	2.7
279.09155	2.8
283.08685	1.9
291.19635	28.0
292.19861	4.0
295.08517	2.6
309.20682	27.4
310.21027	2.8
338.10388	32.0
339.10995	3.3
347.15335	74.6
348.15686	5.9
370.09296	4.9
407.17239	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	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01724	0.9
69.63576	2.4
71.01392	1.4
72.21212	0.4
73.02943	1.2
73.06182	0.4
75.00884	0.8
80.96510	0.5
85.02955	1.0
93.03464	1.0
98.19895	0.7
101.02454	1.1
118.06066	0.4
128.13847	0.4
136.07574	0.4
147.32768	0.4
161.04654	0.5
171.10251	1.8
173.04579	1.2
191.05623	1.4
194.34637	0.3
209.11855	0.5
216.77557	0.4
228.44142	0.5
237.41559	0.5
267.72949	0.4
305.16153	1.3
347.17197	0.6
407.17868	0.5
407.26553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00853	1.0
59.01385	7.3
61.98827	100.0
62.14747	1.1
66.14166	1.0
71.63056	1.4
90.41942	1.0
126.33197	1.1
171.10223	2.1
271.65887	1.2
338.98813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73036	14.3
59.01368	58.9
61.98822	43.4
62.53564	15.5
65.01070	15.5
69.77119	100.0
78.95899	24.7
79.95718	29.6
96.95992	52.6
98.19840	17.1
114.75145	16.8
120.17696	16.3
149.68559	15.0
152.99565	60.0
170.62596	16.2
212.65761	15.9
404.97128	17.3
405.19568	56.6
426.06219	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	406.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98824	100.0
78.95918	0.6
84.02170	0.4
96.96005	0.7
96.96975	0.7
116.14836	0.3
127.09756	0.2
131.05609	0.2
171.10297	0.3
189.43083	0.3
198.76810	0.3
307.19244	0.4
338.10495	1.3
346.14313	0.4
406.16022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	14.1
58.24404	1.2
59.01368	3.6
66.03472	1.6
68.10001	1.3
69.31936	10.8
72.00942	1.5
74.02469	28.0
74.02884	2.4
81.04592	2.4
82.02996	3.0
86.02478	11.2
86.06075	1.4
87.05621	4.8
89.37936	1.3
97.04053	4.5
99.05639	24.2
101.07188	4.6
102.05607	4.9
109.04069	4.4
109.60484	1.1
112.04025	5.5
113.03490	1.5
121.03976	1.4
123.05676	2.4
125.03548	3.6
127.05115	5.3
128.03531	66.8
129.03841	2.6
133.06927	16.5
135.05624	7.3
141.06688	3.5
143.04611	100.0
144.04916	1.3
145.06146	3.1
146.04602	9.4
153.06651	5.5
155.08217	2.1
166.09813	3.4
167.04655	3.8
167.08263	6.5
170.03252	2.1
171.04137	2.8
179.04602	23.9
181.06189	2.3
184.10962	1.5
185.05624	2.9
192.07852	2.5
197.05630	4.6
210.08815	17.6
228.09909	1.4
254.07800	43.4
255.08223	2.2
272.08841	51.0
273.09177	1.5
277.12280	3.7
300.51505	1.3
388.15472	9.7
391.85049	1.4
406.16492	78.9
407.16751	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	405.2125
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01865	1.8
57.03438	0.8
58.00582	1.6
59.01375	31.4
61.98827	8.1
69.46748	3.1
69.66169	0.4
71.01378	22.1
72.99294	2.4
73.02927	4.2
76.15447	0.4
78.95894	1.2
79.95737	1.8
80.96516	0.7
83.01379	3.2
85.02941	7.7
85.06595	2.3
87.00874	1.6
89.02443	11.6
93.03407	0.8
95.01366	2.1
96.95995	0.7
97.06581	0.9
99.00876	3.5
101.02438	14.2
102.02826	0.5
109.02926	0.9
113.02443	6.6
113.09650	0.5
115.00369	0.5
119.03490	4.1
120.99639	0.9
133.02965	0.6
137.02412	0.6
152.99567	0.5
155.14400	5.7
160.00401	0.4
161.04489	0.9
173.04544	1.0
179.05594	0.6
181.12357	0.5
181.15968	2.8
183.13869	0.5
191.05536	0.8
199.13380	14.8
200.13803	0.5
200.90210	0.4
207.10281	0.6
215.10098	0.6
225.11339	1.0
225.14957	3.7
243.06424	0.4
307.07819	0.5
308.08072	1.2
344.30704	0.4
387.20282	1.3
405.21252	100.0
406.21582	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	405.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34275	16.3
55.70858	14.0
59.01361	61.4
61.98816	90.5
63.38607	14.3
69.59983	100.0
71.25793	17.2
78.95889	35.9
79.95717	59.9
85.22598	15.6
90.48139	15.8
94.37159	15.3
94.92532	42.2
96.95994	70.4
96.96969	26.0
135.95868	15.8
142.44835	16.4
152.99544	26.6
176.22234	18.0
405.19266	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2126
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01871	1.8
57.03433	1.0
58.00579	0.7
59.01376	29.9
61.98827	5.2
71.01382	18.1
71.63235	0.5
72.99293	1.2
73.02932	3.6
78.95885	0.5
83.01377	3.0
85.02943	6.1
85.06583	2.4
87.00855	1.4
89.02441	13.5
93.03429	0.4
95.01397	1.8
97.06590	0.6
98.78127	0.4
99.00883	3.3
101.02440	13.0
102.02795	0.5
110.17610	0.3
113.02443	6.5
113.09653	0.4
119.03489	5.0
121.34963	0.4
127.89644	0.4
131.03418	0.4
131.55229	0.4
135.79659	0.4
142.01503	0.3
150.29823	0.4
155.14398	5.6
161.04533	0.9
173.04543	0.8
179.05692	0.6
181.12346	0.4
181.15979	4.2
191.05568	0.8
199.13368	15.3
225.14938	6.1
226.15440	0.5
260.56870	0.4
269.99472	0.4
310.87170	0.4
319.52554	0.5
345.19162	0.7
369.13318	0.4
387.20245	1.1
405.21249	100.0
406.21594	11.6
425.05539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86459	0.5
57.03431	2.1
59.01372	52.3
60.08331	0.6
61.98825	0.6
69.35323	1.2
69.35731	4.2
71.01369	3.1
73.02938	2.2
79.87105	0.6
85.02926	0.9
87.04483	0.8
89.02428	1.0
101.02443	3.5
109.06542	0.9
113.02437	1.4
118.04343	0.6
119.03411	0.8
129.05528	0.9
137.02452	0.7
137.09737	0.9
139.11275	23.3
140.11607	1.1
156.38283	0.6
163.11176	1.2
165.09167	1.7
173.04504	2.1
176.50505	0.5
179.10689	0.7
181.12323	12.1
182.00778	0.6
182.12651	0.9
183.10242	28.1
184.10608	0.9
191.05614	0.8
199.13393	6.2
207.10126	0.7
225.11293	10.4
226.11623	0.6
233.61920	0.7
243.12334	100.0
244.12643	7.2
257.13898	2.0
270.03308	0.6
285.13394	32.9
286.13757	2.6
297.13559	0.8
315.14404	4.8
341.15891	0.7
345.15488	33.4
346.15732	2.1
363.04401	0.6
363.23331	0.7
364.54623	0.7
405.12524	1.5
405.17523	12.5
405.25296	1.0
406.18344	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	405.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40978	0.6
57.03426	1.8
59.01376	43.8
61.98814	1.0
71.01370	2.1
71.63174	0.7
72.97442	0.6
73.02936	3.0
83.05029	0.7
85.02942	1.4
92.84965	0.6
93.03446	1.2
96.96001	1.4
100.67762	0.7
101.02433	3.0
139.11281	21.7
140.11646	1.5
144.10718	0.6
162.05516	0.8
163.11235	1.0
165.09149	0.8
173.04492	2.9
181.12308	13.3
182.12541	1.0
183.10243	26.3
184.10559	1.1
197.11725	0.6
199.13408	6.2
201.11363	1.2
223.58922	0.8
225.11279	10.4
226.11650	1.4
243.12338	100.0
244.12740	5.3
257.13885	2.0
285.13412	25.9
286.13736	2.0
311.10162	0.9
314.43805	0.6
315.14429	5.6
329.11392	1.0
345.15485	30.2
346.15756	3.1
352.05652	0.7
405.12509	1.5
405.17349	12.5
406.18649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50169	1.1
54.01681	1.3
58.02980	5.7
59.01375	41.3
61.98818	3.6
65.95622	1.1
70.02972	1.6
71.01389	7.8
72.00913	1.1
72.04520	1.6
72.99337	1.2
73.02938	3.2
74.02466	16.8
80.05054	2.8
82.02982	7.2
83.01365	3.6
83.65426	1.3
85.02948	3.0
85.04068	1.5
87.00857	1.5
87.05647	1.5
89.02431	3.4
93.03473	2.1
96.00861	1.8
96.04539	10.2
96.96016	2.5
97.04056	11.1
98.02465	7.0
99.00842	1.6
99.05654	10.7
100.00404	3.6
100.04008	2.8
101.02423	4.3
101.96902	1.1
108.04543	8.1
109.04055	2.3
110.02473	3.7
112.04040	8.7
112.07664	5.8
113.03551	2.9
116.01744	4.3
119.03507	1.7
122.06107	4.7
124.04043	8.2
125.03562	22.6
125.04538	1.9
125.04849	1.9
126.01922	1.4
126.05602	2.2
127.05089	4.9
133.06931	16.4
134.02438	1.7
137.07191	11.7
138.05576	3.3
139.05095	10.7
139.11201	1.5
140.07184	5.8
143.04599	3.9
144.70998	1.2
147.05629	3.6
152.03491	5.6
154.00870	1.3
155.08261	11.4
161.04501	1.6
163.05081	2.0
165.01834	4.2
165.06688	20.2
166.05106	2.0
173.04532	3.1
178.01434	6.1
180.04362	1.3
181.06200	6.6
183.07738	6.9
183.10248	15.4
186.91095	1.2
191.04410	2.2
191.05803	1.5
195.06529	4.3
196.02489	4.3
199.07249	1.2
209.05630	15.5
222.67035	1.4
225.05165	43.1
225.07413	3.5
226.05463	1.8
227.06717	7.2
227.77354	1.6
229.14435	3.5
230.14644	2.2
231.14943	4.0
253.04623	100.0
254.04871	4.9
271.05746	8.8
273.08627	2.4
283.11249	1.4
311.10199	4.2
329.11270	11.6
343.13184	2.8
345.15613	1.5
359.12796	4.0
387.12100	5.7
405.07886	2.7
405.13184	45.4
405.17783	5.5
406.13358	2.5
406.27145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47422	6.3
59.01376	100.0
61.98824	18.7
64.99776	5.3
67.01879	7.0
67.40405	5.3
71.01375	22.5
71.62650	9.1
78.95862	13.5
85.02943	17.2
93.03448	21.4
93.52352	6.1
95.01392	7.2
96.96017	15.2
101.02433	17.8
106.06628	14.6
113.02443	11.4
135.04468	5.8
150.05531	10.1
173.04520	43.9
191.05606	18.2
192.45543	7.2
194.04549	18.9
195.04970	6.0
227.12709	7.2
231.15974	10.1
299.13547	14.7
336.38232	6.1
405.16605	17.0
405.21085	10.8
406.16180	13.2
424.56122	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	405.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59345	0.8
57.03444	2.7
58.00564	1.1
58.02971	5.8
58.29312	0.9
58.71820	0.9
59.01377	56.0
61.98820	8.9
67.01893	1.4
71.01381	23.4
71.05025	1.4
72.04537	1.6
72.99302	1.4
73.02931	3.7
74.02134	1.3
74.02473	16.0
80.05027	2.3
81.03458	1.7
82.02966	6.8
83.01388	5.5
83.05009	1.2
84.00930	1.1
84.95132	1.4
85.02955	7.4
86.06097	1.3
87.00855	2.8
87.02719	2.0
87.05614	1.4
89.02441	25.8
93.03424	3.9
95.01347	2.0
96.04545	10.3
96.95980	3.5
97.02908	1.0
97.04065	9.9
98.02451	6.5
98.06097	1.0
98.20660	1.5
99.00845	2.8
99.04549	1.6
99.05643	10.8
100.00382	2.0
100.04018	4.2
101.02441	13.2
108.03356	1.5
108.04568	8.1
109.04028	2.8
110.02437	2.8
111.00781	1.1
112.04060	6.6
112.07654	5.6
113.02444	9.8
113.03542	4.7
113.04234	1.2
116.01707	1.1
116.07161	1.1
119.03490	11.2
120.99605	1.5
122.06071	4.1
124.04036	9.9
125.02474	1.5
125.03564	22.7
125.04858	2.4
125.09701	9.8
126.05582	1.3
127.05102	4.5
128.03477	3.5
133.06104	1.2
133.06931	15.6
134.02435	1.6
137.07207	10.6
138.05556	5.8
139.05139	8.9
140.07140	6.3
143.03517	2.4
143.04594	6.6
144.04887	1.0
146.42824	1.0
147.05583	4.5
149.09595	1.5
150.04338	1.4
152.03522	6.1
154.04881	1.0
155.08269	10.8
161.04491	3.5
163.05109	1.8
165.06686	18.1
166.05019	1.4
167.10782	4.9
168.02950	1.3
173.04514	4.3
178.01410	5.0
179.05562	3.5
179.21538	0.9
181.06189	5.4
183.07751	5.8
183.10266	2.1
187.03961	4.1
191.05684	10.9
196.02437	4.3
197.82321	1.0
200.69482	0.9
201.11314	1.2
209.05643	15.3
225.05135	45.7
225.14851	4.5
226.05504	1.9
227.06648	6.5
231.02965	7.9
243.16217	1.3
253.04639	100.0
254.05052	7.4
271.05692	12.5
307.07767	2.3
343.13309	1.8
345.15253	3.9
359.12698	2.9
387.12164	4.8
404.26331	2.4
405.08197	5.1
405.13141	36.7
405.17361	2.9
405.21445	6.2
405.26669	3.2
406.13583	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	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06666	0.6
59.01382	2.2
61.98825	100.0
69.61494	3.5
69.71647	0.6
72.74290	0.6
78.21593	0.6
94.28643	0.6
100.46794	0.5
100.80872	0.6
130.08701	0.7
132.82111	0.7
149.54807	0.7
174.74525	0.7
191.76477	0.6
322.20502	1.1
336.54105	0.6
367.24054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18697	1.5
55.03074	1.2
55.76642	1.4
57.00638	1.2
57.03442	1.4
58.00576	2.5
59.01376	79.5
61.98827	73.7
63.49491	1.3
68.93405	1.2
71.01379	32.4
71.62533	1.7
72.01708	1.4
72.99306	14.9
73.02955	6.6
75.00854	3.7
80.91681	9.6
81.20441	1.4
83.01392	2.0
84.04517	1.8
85.02942	11.1
87.00854	3.5
88.04028	1.6
89.02436	29.4
90.59248	1.2
92.05048	1.7
93.03441	4.5
94.06614	10.7
95.03733	2.2
96.04527	1.5
96.96011	8.1
99.00852	3.0
99.04504	2.2
101.02444	23.2
102.02811	1.2
108.04527	5.5
111.00877	1.7
111.04464	1.7
112.04052	2.4
113.02441	16.1
118.98059	1.4
119.03501	11.7
120.99653	52.1
121.05332	26.7
122.06115	100.0
123.03279	1.7
123.06438	2.6
124.04047	2.0
124.07657	7.4
125.02469	1.8
136.03990	3.9
136.04938	2.0
143.03511	2.9
150.05563	1.8
153.04327	21.7
159.02953	1.3
161.02446	2.5
161.04538	12.8
161.08185	7.1
166.05066	2.8
173.04539	5.6
174.09210	2.9
179.05501	4.5
183.06538	3.4
186.07645	1.8
186.09210	1.7
191.05568	6.4
202.12404	1.9
217.09717	1.7
217.13339	1.6
229.09727	2.9
231.12248	1.5
243.11298	1.7
243.16144	1.6
245.12923	62.6
246.13264	7.1
255.11351	1.6
271.10724	7.2
289.11911	76.6
290.12262	7.3
323.13440	31.1
324.13608	2.5
333.10870	25.5
334.11264	3.1
345.11386	18.4
345.15570	4.0
346.11749	2.1
405.08832	2.4
405.13400	2.4
405.17584	21.8
405.22104	3.2
406.17447	2.8
415.63794	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	404.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64964	0.3
59.01372	2.1
61.98826	100.0
69.32645	1.2
69.33072	1.4
71.01383	0.3
82.38129	0.3
88.01137	0.3
98.19814	0.5
98.80382	0.3
116.26355	0.3
120.99662	0.4
121.69919	0.3
133.02971	1.0
133.28870	0.3
134.03317	0.3
137.02449	0.4
171.77333	0.4
177.02025	0.4
178.02678	1.1
179.03230	0.7
191.05707	0.4
209.11836	0.8
222.12067	0.3
298.48111	0.3
306.07449	0.9
307.07816	2.6
341.19772	0.5
374.14160	0.3
404.13391	0.5
405.19510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15484	1.0
58.02970	8.4
59.01088	1.8
59.01376	29.0
60.01706	1.7
61.98825	52.1
70.02963	1.2
71.01375	13.3
71.62731	1.3
72.00898	1.6
72.99290	2.4
73.02943	2.2
74.02467	21.6
75.00871	1.1
75.86547	1.2
82.02970	1.7
85.02937	3.7
86.02477	7.4
86.06107	1.2
86.99080	1.6
87.00851	1.7
87.05647	5.9
89.02430	9.8
90.00194	2.2
93.03450	3.2
96.04549	1.1
96.96019	7.8
97.04052	2.5
99.04598	1.1
99.05643	16.3
101.02439	7.7
101.07191	2.9
102.05598	3.3
109.04047	2.1
110.80607	1.0
111.05638	1.6
112.04049	3.5
113.02473	3.5
119.03478	3.9
121.32362	1.1
123.04554	1.0
123.05635	2.0
124.04051	1.8
126.94035	1.0
127.05105	4.9
128.03531	49.5
129.03905	1.0
131.04651	1.2
135.04550	1.4
135.05624	3.9
137.07190	2.1
141.06677	5.5
143.04607	76.3
144.04947	1.7
145.06171	2.1
146.04573	5.7
153.06673	4.0
155.08272	1.3
160.00713	19.2
161.04605	3.2
166.05070	7.6
166.09790	3.4
167.03378	1.5
167.04619	4.3
167.08316	1.9
168.03841	2.0
171.07756	1.5
173.04509	4.7
177.03391	7.4
179.04608	11.9
181.06247	1.7
184.10869	1.3
185.05695	1.9
191.05521	5.3
197.05658	2.5
198.08762	1.8
210.08842	11.6
239.16925	1.1
242.07504	2.7
243.15967	1.6
254.07793	19.8
255.08203	1.9
255.11087	1.5
272.08847	30.2
273.09286	1.8
288.06516	11.9
306.07632	100.0
307.07959	6.0
365.48337	1.0
404.12335	1.9
404.16614	1.3
404.26526	1.9
405.09048	2.3
405.17130	5.9
405.22003	1.9
422.38818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22220	7.1
51.70919	7.3
52.72020	7.0
59.01381	39.7
61.98815	24.6
69.75613	48.5
79.95742	61.4
94.92514	72.8
96.95997	100.0
125.63988	7.3
131.50279	7.6
191.03828	10.7
245.35786	7.9
250.64659	7.8
268.54935	9.3
268.72217	7.9
323.65021	8.9
329.17105	12.0
403.17831	60.8
411.24835	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	403.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01713	1.1
60.22552	0.5
61.98824	1.7
69.75540	3.3
92.92797	3.3
93.60713	0.6
366.65295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71658	0.3
59.01374	5.8
61.98824	100.0
62.06462	0.3
62.98538	0.3
67.22401	0.3
71.01376	2.1
75.00861	0.3
80.58859	0.3
85.02946	0.9
87.00875	0.5
89.02451	1.9
92.43221	0.3
93.03470	0.5
96.96003	4.3
96.96939	0.3
98.20650	0.5
99.05648	0.3
101.02473	1.1
111.04539	0.3
113.02449	1.0
115.00409	0.5
115.51112	0.3
119.03493	0.4
122.06077	0.6
122.18485	0.3
128.03479	0.5
135.04509	11.1
136.04848	0.7
143.04655	0.6
161.04561	1.1
167.03395	0.3
173.04591	0.7
175.02481	2.3
179.03479	17.0
180.03833	1.0
191.05621	0.8
272.08804	0.5
289.11942	0.4
306.07608	1.1
323.13577	0.8
341.08731	5.1
342.09265	0.7
345.11429	0.4
345.15540	0.4
347.75049	0.3
356.29141	0.3
367.03528	0.4
405.17627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	60.6
59.47547	15.8
61.60929	12.8
61.98827	40.5
66.49051	12.6
69.59973	100.0
70.15742	13.0
71.63358	13.4
87.00880	34.2
95.34933	12.3
167.22141	12.0
200.21773	14.2
216.50253	12.1
268.95190	13.2
403.24997	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	403.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.0
61.04949	2.0
61.98826	13.5
71.32612	2.2
79.95732	100.0
80.96494	12.3
96.96001	53.2
97.02974	3.0
101.01048	2.0
102.15897	2.5
133.02928	3.2
135.04526	2.4
161.02411	4.0
178.02634	3.6
403.17926	49.9
404.18301	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	403.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	7.6
61.98821	13.3
64.93763	6.2
69.50504	5.7
110.26242	6.6
111.40614	5.9
113.69135	6.6
117.03455	55.5
119.05071	7.6
121.02946	45.9
123.04501	19.0
133.02943	14.2
145.02873	7.8
162.03224	23.0
175.10394	6.1
367.22711	100.0
368.23206	9.8
403.28137	14.9
403.35706	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	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83991	0.3
57.03409	0.5
59.01098	0.5
59.01375	4.6
61.98816	2.2
69.53339	3.1
71.01366	1.4
73.02939	0.9
74.02443	0.4
81.03454	0.9
83.05013	1.3
85.02936	0.9
87.00887	0.6
93.03455	5.0
96.96021	0.4
98.20586	0.9
101.02391	0.8
111.04484	4.1
111.08148	1.6
113.02451	0.4
113.09728	0.7
127.03996	0.7
135.22781	0.4
137.02480	1.1
139.07643	0.5
155.03513	4.1
157.08685	19.8
163.11203	0.6
167.14406	1.0
173.04527	13.6
174.04811	0.6
181.12314	17.9
182.12653	1.2
191.05592	2.5
193.12331	2.2
197.11691	0.4
199.13362	13.6
200.13737	1.2
211.13365	25.2
212.13763	2.1
229.14407	100.0
230.14743	6.4
253.04652	0.8
307.91061	0.4
403.19684	29.0
404.19962	3.1
404.25415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25539	0.4
52.30413	0.4
53.01949	0.4
59.01376	100.0
60.01698	0.7
61.97162	0.4
61.98827	22.3
66.72363	0.5
70.34769	0.9
70.35165	0.8
71.01382	1.6
71.05067	0.5
80.25984	0.4
80.75237	0.4
85.02938	0.6
89.02454	1.9
91.04000	5.0
91.04475	0.5
93.03460	0.7
98.20507	0.6
99.08173	1.1
105.03493	1.6
111.00859	0.4
111.04524	0.4
121.02899	0.5
125.02440	0.5
125.09792	0.4
133.02950	8.9
134.03743	3.2
135.04497	1.5
137.02435	3.2
137.03304	0.4
139.04008	1.0
143.44283	0.4
152.14485	0.4
161.02507	0.8
165.12830	0.5
167.14409	0.5
171.10315	1.7
173.04564	1.0
177.01952	2.6
178.02721	7.3
179.03473	1.2
183.13918	2.0
187.07664	0.7
191.05693	0.8
209.11850	0.5
211.06483	0.6
211.13362	9.3
212.05885	0.4
212.13737	0.7
227.08279	3.0
229.08963	0.4
229.14417	5.7
231.10095	0.5
234.48393	0.5
283.10837	9.1
283.13901	0.5
284.11295	0.8
293.21188	0.6
306.07434	16.4
307.07751	1.1
311.22208	3.3
327.09836	5.1
329.23309	24.9
330.23740	2.1
337.32169	0.4
357.43274	0.5
359.18826	0.5
403.19025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1969
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
57.03439	1.9
58.00587	1.2
59.01378	29.6
60.99288	0.7
61.59223	0.5
61.98831	4.8
64.97522	0.6
67.01884	4.4
67.43188	0.5
69.03461	1.2
71.01376	16.0
71.05039	0.8
72.74914	0.5
72.85967	0.5
72.97536	0.9
72.99310	1.0
73.02942	2.4
79.53366	0.5
81.03455	1.6
83.01389	1.6
83.05010	1.0
83.82080	0.5
85.02953	5.2
87.00888	0.7
89.02436	9.5
93.03452	27.0
94.03763	0.8
95.01380	1.2
96.96001	0.8
97.06554	0.6
99.00889	0.6
101.01839	0.9
101.02442	8.4
102.02801	0.5
104.00552	0.5
106.42955	0.5
109.02969	0.6
111.00858	2.0
111.04513	4.9
113.02442	5.6
119.03481	3.7
123.08160	1.5
137.02432	5.6
139.07628	0.5
145.10167	0.9
155.03525	5.5
155.10794	3.2
157.28635	0.5
161.04488	0.8
173.04535	100.0
174.04852	4.3
179.05562	0.8
181.12389	1.6
187.07603	1.2
191.05653	2.3
193.12289	1.0
197.06088	1.9
197.11876	1.2
211.13445	1.0
223.13383	8.8
224.13710	0.7
226.05112	2.0
229.14406	24.0
230.14745	1.2
231.10205	2.0
241.10869	1.0
245.31770	0.5
255.05406	0.6
256.04904	3.6
257.08157	0.6
271.07260	2.9
275.09177	1.6
283.10892	1.3
284.09299	0.9
285.08401	0.6
299.10419	1.0
309.08902	1.0
327.09836	7.8
339.13086	0.5
373.75888	0.5
403.19666	79.3
404.20084	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	403.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89658	0.6
55.01878	0.6
57.03426	1.6
59.01378	17.1
60.99298	3.3
61.98832	6.1
64.11675	0.6
67.01889	10.3
69.03448	2.7
70.76289	1.9
71.01367	7.8
73.02956	1.5
81.03458	2.2
82.95428	0.6
83.01395	1.1
83.05023	2.0
85.02943	3.8
87.00874	12.5
89.02450	1.4
93.03452	74.4
94.03767	1.9
97.06567	0.9
99.00865	1.3
99.04559	1.2
101.02439	2.7
106.73423	0.7
109.02964	1.8
111.04517	13.6
113.02451	2.5
119.03468	1.0
123.08174	0.8
127.04012	1.0
129.01955	1.7
132.04457	1.4
137.02457	5.6
155.03464	5.6
157.08717	1.2
158.16876	0.8
160.04039	3.2
173.04535	100.0
174.04871	3.6
181.12383	2.2
187.07593	0.9
191.05605	13.6
192.05943	0.7
197.11867	0.9
199.13412	1.5
211.13394	3.8
220.05992	1.6
229.14421	23.4
230.14771	1.1
231.10219	1.3
241.10759	1.8
241.14542	1.1
266.26779	0.8
273.38730	0.8
275.09253	1.7
283.11102	1.1
317.19647	1.5
327.09937	1.8
331.17764	0.9
371.08270	0.8
403.11197	2.4
403.19681	76.3
404.19904	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	403.1606
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
56.53662	1.8
57.03441	8.3
59.01378	100.0
60.99306	5.6
61.98832	18.2
67.01886	11.2
69.03452	3.9
71.01387	15.1
71.63200	2.0
72.99301	2.8
73.02969	5.5
83.05021	3.6
85.02959	7.7
87.00866	21.2
89.02473	6.3
93.03452	87.8
94.03773	1.9
96.96035	3.0
97.02932	1.9
97.06590	2.0
99.00878	4.4
99.04530	4.4
101.02429	10.0
109.02964	1.9
111.04517	13.9
113.02483	6.4
119.03533	3.6
119.08709	2.5
122.06132	3.4
123.04554	1.9
132.04544	13.7
133.10292	2.4
134.06123	2.0
135.04523	2.1
135.08154	2.4
137.02486	2.6
137.09749	6.2
138.05615	2.4
143.03561	2.1
148.04033	2.3
155.03564	4.9
157.08736	3.5
158.02498	4.1
159.11841	3.6
160.04033	21.7
160.05321	1.8
161.04610	3.5
161.09727	4.1
162.05650	2.5
163.07654	3.9
169.12294	2.0
173.04549	51.0
173.06006	3.5
174.04861	2.9
176.03624	2.7
179.10826	5.8
181.08702	10.3
181.12369	1.7
187.07686	3.3
188.03510	14.9
190.05133	4.1
191.05632	24.9
192.06673	7.3
193.12485	2.0
197.04694	2.1
197.11807	46.0
199.13455	1.9
206.09076	1.9
211.13397	3.1
220.06120	45.8
221.06511	2.9
223.09770	10.2
227.08395	2.1
229.14406	14.7
231.10228	5.6
239.11940	4.2
241.10799	83.2
242.11211	5.5
253.06030	2.3
255.11469	2.4
268.08603	2.8
275.09421	5.7
283.11676	33.1
309.08887	3.0
313.13110	6.6
317.19739	3.0
325.50879	2.0
327.09781	26.9
328.10193	3.8
343.13977	49.1
344.14368	4.1
359.12839	2.3
371.08792	16.5
395.58441	1.7
403.11310	8.7
403.16232	7.3
403.19943	85.5
404.20319	7.8
404.26898	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	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
59.01369	10.1
61.98825	2.2
65.50974	0.8
67.01879	4.1
68.50099	0.8
69.03426	1.1
69.25204	9.6
71.01388	5.0
71.07562	0.8
89.02434	1.4
93.03442	28.6
94.03790	1.3
98.20630	2.2
109.02913	1.1
111.04501	4.6
113.02428	1.0
137.02394	4.1
155.03491	4.3
157.08656	3.6
173.04529	100.0
174.04828	3.3
176.18509	0.9
181.12364	2.4
191.05606	1.6
197.11792	1.5
199.13336	1.8
211.13298	4.6
229.12242	1.5
229.14401	19.9
230.14738	1.4
241.10727	2.1
260.09177	0.9
264.99594	0.9
267.99326	1.1
293.27466	1.0
327.09927	1.9
343.13995	1.9
371.08765	2.0
403.14728	1.4
403.19623	17.6
404.20047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53662	1.8
57.03441	8.3
59.01378	100.0
60.99306	5.6
61.98832	18.2
67.01886	11.2
69.03452	3.9
71.01387	15.1
71.63200	2.0
72.99301	2.8
73.02969	5.5
83.05021	3.6
85.02959	7.7
87.00866	21.2
89.02473	6.3
93.03452	87.8
94.03773	1.9
96.96035	3.0
97.02932	1.9
97.06590	2.0
99.00878	4.4
99.04530	4.4
101.02429	10.0
109.02964	1.9
111.04517	13.9
113.02483	6.4
119.03533	3.6
119.08709	2.5
122.06132	3.4
123.04554	1.9
132.04544	13.7
133.10292	2.4
134.06123	2.0
135.04523	2.1
135.08154	2.4
137.02486	2.6
137.09749	6.2
138.05615	2.4
143.03561	2.1
148.04033	2.3
155.03564	4.9
157.08736	3.5
158.02498	4.1
159.11841	3.6
160.04033	21.7
160.05321	1.8
161.04610	3.5
161.09727	4.1
162.05650	2.5
163.07654	3.9
169.12294	2.0
173.04549	51.0
173.06006	3.5
174.04861	2.9
176.03624	2.7
179.10826	5.8
181.08702	10.3
181.12369	1.7
187.07686	3.3
188.03510	14.9
190.05133	4.1
191.05632	24.9
192.06673	7.3
193.12485	2.0
197.04694	2.1
197.11807	46.0
199.13455	1.9
206.09076	1.9
211.13397	3.1
220.06120	45.8
221.06511	2.9
223.09770	10.2
227.08395	2.1
229.14406	14.7
231.10228	5.6
239.11940	4.2
241.10799	83.2
242.11211	5.5
253.06030	2.3
255.11469	2.4
268.08603	2.8
275.09421	5.7
283.11676	33.1
309.08887	3.0
313.13110	6.6
317.19739	3.0
325.50879	2.0
327.09781	26.9
328.10193	3.8
343.13977	49.1
344.14368	4.1
359.12839	2.3
371.08792	16.5
395.58441	1.7
403.11310	8.7
403.16232	7.3
403.19943	85.5
404.20319	7.8
404.26898	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96423	1.1
57.03456	1.1
59.01135	0.7
59.01376	48.3
61.98827	62.9
70.76330	3.2
71.01373	14.8
72.99311	2.1
73.02966	2.7
78.29472	1.1
78.95918	4.7
79.95771	1.7
83.01395	1.8
85.02943	7.2
87.00903	1.7
88.98840	1.1
89.02435	11.2
93.03440	1.5
96.96007	41.9
96.96932	8.9
99.00906	1.2
99.04544	1.7
101.02428	9.9
109.02972	2.0
113.02421	6.6
119.03526	4.8
121.06631	1.5
122.13475	1.1
123.00939	1.1
123.04543	1.7
135.04533	8.1
136.05293	2.8
137.02408	1.3
137.06136	1.6
143.03586	1.3
148.05305	1.6
149.06088	1.5
150.06865	18.3
151.07654	11.8
152.07973	1.4
153.01981	3.2
154.02209	1.1
161.04565	3.5
162.06848	21.7
163.03999	2.1
163.07658	19.0
165.05609	3.4
165.41942	1.4
167.03481	3.9
167.07185	3.1
173.04587	4.7
175.07773	1.1
179.03503	10.6
179.05632	2.1
179.07057	1.3
180.07906	59.6
181.08694	100.0
182.09074	4.7
191.05640	2.5
199.03056	1.2
223.09709	2.4
226.04716	2.1
241.07117	2.6
256.59686	1.3
305.12378	1.5
341.08823	4.6
343.14005	7.9
403.12213	4.3
403.16248	42.1
404.16714	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	403.1606
Annotation	Glu-Ala-Trp
Peak:m/z	Relative Intensity
57.03440	1.7
58.00581	0.5
59.01376	52.0
61.98826	17.4
63.05519	0.4
64.31799	0.4
68.81543	0.4
69.03451	1.0
69.73175	2.4
71.01373	12.4
72.99330	0.9
73.02944	3.7
81.03436	0.4
83.01376	1.7
83.05016	1.1
85.02949	12.8
87.00852	0.8
89.02437	4.7
93.03447	1.9
95.01385	1.2
95.05084	0.5
96.96001	3.8
96.96940	0.6
97.02920	0.5
98.19864	0.9
99.00877	0.7
99.04531	0.5
101.02441	6.4
109.02944	0.7
109.06588	0.8
113.02435	5.3
114.05583	0.7
114.11971	0.5
119.03495	1.6
123.00871	0.8
123.08128	0.6
137.02452	4.3
138.03209	0.5
139.00395	0.5
145.06488	0.6
149.09679	0.6
161.04555	2.3
161.09694	1.4
163.04027	0.6
163.07637	2.1
165.01880	0.9
173.04541	1.1
177.01927	3.4
178.02263	5.0
179.03503	1.1
179.10689	0.9
181.08696	2.0
183.51440	0.5
191.05646	0.8
193.01372	1.7
208.03732	2.5
223.06096	7.5
223.09749	1.6
223.13298	0.7
340.07587	0.7
358.11902	0.5
403.16107	100.0
404.16467	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	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01375	7.9
59.05626	0.7
61.98825	4.5
67.01884	1.3
70.63700	1.7
70.64066	1.9
71.01376	2.3
80.05036	3.1
85.02943	1.7
87.00838	1.2
89.02439	1.2
93.03461	7.5
101.02442	1.6
104.05042	1.8
107.03799	1.0
108.04536	2.3
109.02911	1.0
111.04515	2.0
113.02480	0.8
116.05048	1.6
116.14049	0.8
116.56498	0.7
118.95475	0.9
119.03619	1.0
122.06109	9.2
124.07654	2.0
130.02966	3.2
131.03780	0.8
132.03627	1.5
132.04544	19.0
133.04921	1.2
134.06157	1.4
135.04510	0.9
136.18886	0.8
137.02422	1.7
146.02487	1.8
147.03247	4.1
148.04018	2.4
150.05562	3.5
155.03470	1.9
158.02451	7.6
158.06151	1.1
159.02806	0.9
159.29807	0.8
160.04019	11.1
161.04733	1.5
162.05559	3.5
172.11247	0.8
173.04526	27.8
174.05589	1.2
175.02725	2.2
176.03519	11.8
176.07120	3.7
177.03738	0.8
179.03506	1.6
183.09247	1.6
184.07677	2.0
187.07614	6.2
190.03410	1.5
190.05077	21.9
191.05647	5.2
196.11351	1.6
197.06999	1.0
197.11844	1.5
198.04250	2.0
198.09271	1.1
199.08691	1.6
200.04680	0.9
203.02202	1.0
204.02991	3.4
206.04436	1.0
209.07098	3.0
210.05606	1.2
210.07837	0.9
211.06604	1.2
211.08621	1.0
211.12236	4.6
212.05719	5.7
212.10767	3.4
212.12572	0.9
213.06619	1.8
213.10390	1.0
215.11838	5.6
220.02524	1.0
222.09293	1.0
223.08690	5.2
224.07268	1.5
224.09496	15.1
225.07939	2.8
225.10030	2.4
226.07446	5.1
227.08231	8.7
227.11923	1.2
228.08522	1.0
229.14403	4.3
231.06645	1.3
231.10229	1.9
234.04146	1.8
235.04979	1.2
238.08655	2.4
239.04558	3.0
239.08293	5.1
239.11865	32.1
240.10565	7.2
240.12419	1.4
241.09731	12.5
243.07846	1.0
243.11316	1.2
249.06750	0.9
250.07425	2.7
251.05725	1.0
251.08130	0.9
252.05351	1.9
253.06169	26.5
253.09941	1.4
254.03419	0.8
254.06540	3.8
255.07712	6.4
255.11334	9.5
256.08380	1.7
256.11926	1.0
257.08203	4.2
265.09802	5.2
266.07816	1.2
267.07681	9.9
268.08499	11.5
269.09283	2.0
271.07166	1.8
275.09225	1.8
281.09262	12.8
283.10840	76.7
284.11292	6.2
287.10361	1.6
294.06357	2.6
297.04968	1.3
299.06714	1.1
299.10172	1.1
309.08792	27.4
310.09241	2.8
315.13382	2.5
325.08487	1.3
327.09818	89.5
328.10144	8.2
341.11365	4.1
353.07675	3.5
359.12399	5.5
371.08786	100.0
372.09064	13.6
385.10214	1.4
403.11383	69.4
403.19086	5.9
404.11386	6.5
404.19623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.5
61.98823	6.5
66.21510	0.9
67.73575	1.0
69.61286	6.1
71.01379	1.3
80.05045	3.2
82.43652	0.8
85.02933	2.4
93.03452	1.9
101.02443	1.5
104.05046	2.5
108.04525	1.6
109.02920	0.9
116.05063	1.6
122.06133	9.4
124.07668	2.3
130.02980	4.2
131.03760	1.3
132.04546	23.2
133.02954	1.7
146.02498	1.6
146.06081	1.6
147.03276	5.7
148.04042	1.6
150.05583	3.7
155.10764	3.2
158.02464	11.6
160.04042	12.3
161.04802	1.6
162.05605	6.4
172.11299	2.0
173.04593	4.8
174.05580	2.3
176.03517	14.5
176.07130	3.2
182.06088	1.3
183.09222	1.2
184.07698	2.6
187.07520	1.8
190.05089	25.3
191.05658	5.8
196.11281	2.8
198.04184	2.5
199.09943	4.8
204.02881	1.3
209.07176	2.0
211.08783	1.8
211.12370	6.3
212.05867	3.4
212.10759	4.2
213.06648	2.3
215.07013	1.1
215.11856	6.8
220.02473	2.7
223.04778	1.7
223.08678	6.2
224.07251	2.1
224.09496	15.6
225.06375	1.6
225.08130	2.2
226.07436	4.3
227.08167	7.9
228.08810	1.4
234.04059	3.6
238.08827	1.9
239.04576	2.8
239.08206	3.8
239.11874	35.4
240.10185	7.5
240.12509	1.9
241.09741	12.7
249.06770	1.8
250.07381	2.4
251.47255	1.0
252.05556	1.6
253.06152	29.6
254.06755	4.8
255.07687	5.0
255.11382	9.6
256.08401	2.9
265.09818	3.0
266.06891	1.2
267.07660	8.8
268.08499	16.2
269.08890	1.1
281.09225	6.7
283.10837	80.5
284.11221	6.7
287.10306	1.5
303.48514	1.1
306.07495	1.8
309.08786	22.0
310.08875	2.0
315.13477	2.2
327.09818	100.0
328.10107	9.1
341.11240	3.4
353.07700	3.8
359.12424	7.1
371.08789	85.8
372.08978	7.4
403.11377	73.2
403.19812	3.2
404.11624	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.4
60.87079	1.7
61.98826	100.0
69.61549	12.3
71.09081	1.8
88.87671	1.7
97.89345	1.5
115.18227	1.6
163.11218	5.9
269.44635	1.8
339.23032	4.6
352.49234	2.0
402.27206	3.1
403.27826	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	403.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06002	2.5
50.97898	2.1
54.14265	2.5
55.50000	2.6
59.01376	7.3
64.88374	2.5
65.82635	2.6
70.90816	5.8
73.07209	2.5
73.87044	2.4
80.05067	2.9
93.03439	5.6
93.63109	2.5
98.07341	2.5
120.17452	2.4
122.06110	6.5
132.04543	14.8
141.31982	2.5
143.02538	2.3
150.05630	2.7
158.02454	4.2
160.04030	6.4
162.05640	3.3
173.04507	16.7
174.82254	2.8
176.03529	6.7
187.07568	3.0
190.05087	17.6
191.05608	4.7
211.12404	5.9
212.10780	4.6
215.11823	7.2
223.08643	3.2
224.09448	12.7
226.07434	5.9
227.08151	3.5
229.14384	4.5
239.04623	3.8
239.08289	5.2
239.11864	26.8
240.10416	6.1
241.09702	12.7
250.07494	3.2
253.06142	26.0
255.11382	8.0
257.08371	3.8
265.09799	3.9
267.07648	6.4
268.08469	8.1
281.09329	9.5
283.10855	65.9
284.11441	3.3
286.09631	2.6
299.10803	2.9
309.08777	24.0
327.09830	79.8
328.10110	7.3
359.12524	3.7
371.08817	100.0
372.09076	11.0
403.11429	50.6
403.19553	4.9
404.11880	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	402.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90615	0.4
59.01377	2.3
61.98828	100.0
62.98470	0.4
65.99687	0.5
70.46983	1.2
71.01373	1.4
81.38515	0.5
89.02450	1.0
89.03952	0.5
93.03459	1.1
96.95985	0.8
101.02448	1.3
104.95053	0.5
105.03453	1.3
119.03516	0.5
122.02457	1.8
133.02982	2.6
137.02432	2.2
169.99779	0.5
173.04482	0.6
177.01917	80.6
178.02306	3.9
223.13356	0.7
241.14432	0.5
339.07132	11.8
340.07419	1.3
342.11099	0.6
365.97214	0.6
378.36707	0.5
403.12140	2.0
403.16599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60798	0.5
59.01365	3.6
61.98825	100.0
63.65778	0.5
64.75174	0.6
69.14182	0.6
71.01395	1.0
71.62975	1.0
72.99306	0.6
77.78858	0.6
78.95901	1.7
85.02995	0.5
87.00831	0.6
93.41375	0.6
121.02953	4.3
122.03313	2.2
147.14420	0.6
152.99603	2.2
173.04518	0.7
191.05672	0.7
314.07553	1.7
328.22690	0.8
329.23398	1.4
342.11276	0.6
402.08737	3.1
403.23413	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	402.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66322	0.4
59.01377	3.6
61.98826	100.0
71.62698	0.6
71.63055	0.4
76.19304	0.3
83.59658	0.4
85.02995	0.4
87.00907	0.4
89.02477	0.4
93.03471	1.5
94.22899	0.4
95.05028	0.4
97.06558	0.6
102.41702	0.4
103.21136	0.4
109.02925	0.4
111.08118	0.4
117.91675	0.4
118.16339	0.4
121.02952	0.7
122.03281	0.5
125.02372	0.4
125.09687	0.9
129.79306	0.4
133.02939	2.7
134.03738	2.0
135.04521	0.6
137.02414	2.7
139.04044	0.8
167.07141	0.7
173.04591	0.8
177.01906	1.1
178.02728	3.1
179.03558	0.6
187.09807	0.4
191.05652	1.6
208.72830	0.4
215.12871	1.7
303.15897	1.8
306.07401	8.3
321.17090	0.9
328.22260	0.6
397.65744	0.4
403.18607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62030	0.7
59.01376	100.0
59.29781	0.5
60.01703	1.1
61.98816	0.8
65.47684	0.5
69.45152	3.9
96.29047	0.6
121.02970	3.3
166.90825	0.6
283.99756	0.6
313.07242	0.7
343.02716	0.6
357.06384	0.7
401.08685	1.2
401.21002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01720	1.2
61.98822	1.0
63.89417	0.7
70.90614	0.8
70.90947	1.3
78.31364	0.7
80.02094	0.6
98.84013	0.7
121.02948	1.7
127.01622	0.7
130.89302	0.7
141.22453	0.8
173.08391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37300	0.9
59.01374	100.0
61.98814	3.5
67.57780	1.1
71.01357	2.1
71.62912	1.7
89.02422	3.3
92.92789	3.4
113.02424	1.4
113.09724	1.3
121.02946	13.8
125.09755	1.5
183.10278	1.4
196.50192	1.0
211.52180	1.1
215.79213	1.0
313.07205	2.5
327.21808	1.4
329.17203	1.1
341.10876	2.9
365.14923	2.8
371.24872	1.1
387.41235	1.2
401.08588	3.8
401.13165	1.3
414.99539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3056
Annotation	CHEBI:68040
Peak:m/z	Relative Intensity
69.03727	0.3
69.49979	1.7
69.50381	0.6
69.95830	0.2
92.65328	0.3
93.03439	0.4
98.20614	0.6
112.70391	0.3
117.03462	25.3
118.03801	0.8
119.05019	15.9
121.02948	8.2
122.03297	0.3
123.04524	2.8
128.79276	0.3
131.54865	0.3
133.02951	1.3
134.03711	0.9
145.02945	43.4
146.03267	2.0
162.03209	1.7
163.04001	5.7
262.27628	0.3
371.41388	0.2
401.30554	100.0
402.30908	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12008	0.3
57.03442	1.1
59.01376	5.6
67.01880	4.2
69.03443	1.1
69.60096	2.7
71.01373	5.4
71.05009	3.8
73.02937	0.8
81.03446	1.4
83.05025	0.9
85.02946	1.6
87.00876	0.7
87.96365	0.4
89.02427	0.9
90.56310	0.4
93.03451	23.8
94.03800	0.9
101.02409	0.8
109.02946	1.6
111.00854	0.6
111.04530	4.1
113.02448	1.1
121.02949	2.8
127.04015	0.5
135.04510	0.7
135.11766	2.6
137.02419	4.5
137.09695	0.6
153.01988	0.7
153.12836	0.6
155.03503	5.0
161.04533	0.9
165.57861	0.4
173.04530	100.0
174.04893	4.0
179.05676	0.6
179.10762	2.6
191.05608	5.6
192.05887	0.5
227.12851	8.0
228.13235	1.0
341.10962	1.4
401.14285	0.9
401.18225	12.1
402.18515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90520	1.1
55.01857	2.8
57.03437	3.1
57.38008	1.1
59.01377	47.9
59.28115	1.1
61.83995	1.2
61.98834	2.6
67.01870	3.3
69.03461	1.7
70.76742	3.4
71.01382	34.5
71.05017	24.5
72.99298	1.6
73.02938	12.7
83.01393	3.9
83.05015	5.3
85.02942	15.0
87.00870	3.8
88.19099	1.2
89.02441	13.3
93.03443	19.1
95.01355	2.0
96.96017	1.8
99.00849	5.9
101.02446	23.5
109.02917	2.3
111.04557	8.1
112.27153	1.1
113.02436	14.5
119.03471	4.0
119.04985	1.9
133.10202	5.4
135.11789	24.8
136.12050	1.2
137.02426	11.8
137.09697	3.3
143.03447	1.4
151.11261	1.3
153.12854	7.5
154.01358	2.2
155.03534	7.6
159.02988	2.5
161.04533	15.3
161.09674	1.7
173.04538	49.8
174.04933	2.0
179.05533	4.2
179.07083	2.5
179.10751	17.1
191.05624	14.6
192.05913	2.6
209.11813	1.5
227.12860	100.0
228.13120	5.9
269.07730	1.6
269.10303	18.5
270.10434	2.1
281.10229	2.2
299.11279	1.7
306.50290	1.1
326.90601	1.2
341.10785	11.2
401.14267	30.0
401.18259	27.4
402.14587	3.4
402.18958	1.8
422.36734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1447
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.06709	1.7
53.67939	1.5
55.01862	4.0
57.03422	6.2
58.00579	1.9
59.01375	77.1
60.14414	1.5
62.56194	1.8
62.90069	1.5
67.01861	2.3
69.03444	2.5
71.01377	77.6
71.05011	22.0
71.52662	1.6
72.01696	2.1
72.99282	4.5
73.02945	34.4
74.15126	1.6
75.00858	1.8
81.03426	1.8
83.01383	14.6
83.05019	3.4
83.30519	1.5
84.10672	1.6
85.02942	36.2
87.00844	5.2
89.02435	22.5
93.03441	19.9
95.01366	7.8
96.95979	4.9
97.02930	2.8
99.00874	17.1
101.02432	61.1
109.02971	3.0
111.00815	2.9
111.04476	5.9
113.02442	36.4
119.03474	3.3
119.82309	1.5
125.02428	2.2
129.01939	1.9
130.08691	1.8
131.03510	2.6
133.10205	5.8
135.11787	16.7
137.02472	8.3
137.09654	2.5
143.03423	4.7
149.04572	2.2
153.12791	5.8
154.01373	5.9
155.03418	6.1
159.02948	6.2
161.03217	2.3
161.04549	46.3
161.09669	4.0
173.04530	30.8
179.03175	2.2
179.05499	6.0
179.06970	3.2
179.10777	17.1
191.05592	20.7
192.05768	3.4
227.12866	79.6
228.13058	5.1
229.36861	1.7
269.10263	67.8
270.10422	4.5
341.10760	17.8
357.21051	3.4
401.14175	100.0
402.14487	11.5
409.51022	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12008	0.3
57.03442	1.1
59.01376	5.6
67.01880	4.2
69.03443	1.1
69.60096	2.7
71.01373	5.4
71.05009	3.8
73.02937	0.8
81.03446	1.4
83.05025	0.9
85.02946	1.6
87.00876	0.7
87.96365	0.4
89.02427	0.9
90.56310	0.4
93.03451	23.8
94.03800	0.9
101.02409	0.8
109.02946	1.6
111.00854	0.6
111.04530	4.1
113.02448	1.1
121.02949	2.8
127.04015	0.5
135.04510	0.7
135.11766	2.6
137.02419	4.5
137.09695	0.6
153.01988	0.7
153.12836	0.6
155.03503	5.0
161.04533	0.9
165.57861	0.4
173.04530	100.0
174.04893	4.0
179.05676	0.6
179.10762	2.6
191.05608	5.6
192.05887	0.5
227.12851	8.0
228.13235	1.0
341.10962	1.4
401.14285	0.9
401.18225	12.1
402.18515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.29350	0.7
54.16534	0.6
55.01873	5.8
57.03447	5.4
58.00590	3.0
58.19492	0.8
59.01374	91.5
60.01684	0.7
60.99313	0.9
61.98818	1.5
67.01888	1.4
68.39463	0.7
69.03448	2.9
69.89150	3.9
71.01377	100.0
72.01712	1.2
72.99300	4.1
73.02940	26.4
74.02473	0.9
75.00857	1.6
76.42997	0.6
78.95878	1.2
81.03461	2.8
83.01382	16.5
83.04996	1.3
84.01697	0.7
85.02945	39.6
86.00099	1.0
86.03251	0.8
87.00861	5.7
89.02436	53.7
90.02778	1.2
91.96351	0.8
93.03437	8.9
95.01372	4.5
96.96004	2.3
97.02962	5.3
98.20634	0.7
99.00870	12.0
99.04517	0.7
101.02433	68.9
102.02768	1.5
109.02923	1.5
111.00871	12.4
111.04522	2.1
113.02440	30.2
113.03235	1.5
114.02785	1.0
115.03997	3.1
119.03477	3.4
123.04491	0.7
125.02424	7.4
127.03962	1.2
129.01897	1.5
131.03494	27.4
132.03819	1.3
135.04500	0.8
137.02422	2.2
139.04044	1.0
143.03479	6.2
149.04543	12.6
151.03989	0.8
153.01886	0.7
155.03447	1.5
159.02971	3.9
161.04543	34.0
162.04910	1.1
173.04524	26.2
174.04832	2.0
175.58104	0.6
179.03484	0.9
179.05643	1.7
187.07649	0.8
191.05598	13.0
192.05949	2.2
205.03542	0.8
215.05518	1.6
227.09256	1.5
227.12805	4.2
233.06668	9.1
250.13911	0.9
251.09315	1.9
264.32376	0.8
269.10272	69.5
270.10599	5.6
274.70795	0.9
276.78055	0.7
293.08765	3.5
299.11407	0.9
341.10822	8.9
353.08994	0.9
365.18185	1.8
401.14423	68.8
402.14722	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54309	1.6
58.00573	2.3
59.01379	53.2
60.02534	1.6
70.68248	5.0
71.01378	35.1
78.24496	1.5
78.85090	1.5
83.01353	2.0
85.02956	5.8
87.00872	2.9
89.02436	58.3
95.01406	2.7
101.02439	18.1
113.02453	19.1
117.44839	1.6
119.03490	21.4
131.03499	2.8
143.03473	4.1
149.04538	2.2
161.04539	5.5
179.05589	23.1
228.57401	1.7
238.17598	1.6
294.73593	2.0
318.15146	1.6
341.10843	100.0
342.11197	5.5
367.36707	1.6
401.10986	2.1
403.23181	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	400.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20837	1.6
58.14332	1.6
59.01376	13.1
61.98826	100.0
70.25264	1.5
71.63313	2.4
75.58924	1.3
89.02436	1.9
119.98141	1.4
121.02959	9.8
125.28819	1.4
126.67284	1.4
128.16797	1.3
158.75076	1.6
191.05627	2.2
295.90631	1.4
341.11124	2.7
380.27695	1.4
401.08984	4.2
401.23218	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	401.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01054	2.0
58.00586	3.5
59.01089	4.3
59.01376	63.2
67.12201	1.8
69.39487	17.2
71.01376	39.9
85.02948	7.4
87.00349	2.0
89.02432	64.1
90.02790	1.9
95.01384	2.3
98.19729	1.9
101.02432	21.9
113.02412	18.5
119.03482	20.3
143.03477	6.9
149.04536	2.3
161.04538	6.1
161.47247	1.8
175.68291	1.7
179.05591	24.4
184.38724	1.6
191.05573	4.3
309.11252	1.8
320.90991	2.0
341.10834	100.0
342.11243	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	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09901	0.4
57.03450	0.8
59.01378	5.0
59.11804	0.4
60.99290	0.7
64.76624	0.3
67.01883	3.6
69.03443	0.9
69.48917	2.7
71.01375	3.2
73.02946	1.3
81.03461	0.6
83.05024	0.6
85.02959	0.8
86.79604	0.4
87.00896	0.4
93.03455	23.8
94.03774	0.8
109.02923	1.0
111.00881	1.1
111.04501	4.4
111.05175	0.4
113.02441	0.4
121.36811	0.3
127.03989	0.5
128.60420	0.3
129.73125	0.4
134.08694	0.4
135.04478	0.4
137.02434	4.5
155.03520	5.3
163.11276	1.3
173.04532	100.0
174.04878	3.5
181.12314	12.3
182.12677	0.9
191.05602	4.4
225.11313	5.5
250.76480	0.4
399.11536	0.8
399.16531	12.1
400.16876	1.8
413.87573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01375	4.1
60.99297	0.7
67.01883	4.7
69.03459	1.1
69.48814	2.9
71.01376	3.4
73.02934	1.4
81.03440	0.7
83.05038	0.8
85.02942	0.8
87.00875	0.4
93.03450	25.7
94.03786	1.1
102.76602	0.4
109.02954	1.2
111.00896	0.7
111.04509	5.2
127.04000	0.5
135.04523	0.5
137.02434	4.9
155.03514	4.7
163.11279	0.5
173.04526	100.0
174.04866	3.5
179.03534	0.4
181.12321	12.4
182.12648	0.7
191.05597	2.4
201.75313	0.4
206.83054	0.4
225.11281	4.8
234.78310	0.4
245.42049	0.3
399.11520	0.8
399.16541	11.9
400.16934	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	399.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57176	0.3
59.01374	7.9
61.98816	1.6
67.01882	0.8
69.03471	0.6
69.70879	2.2
71.01363	1.9
73.02946	0.6
75.00854	0.4
78.95896	55.8
83.05004	0.7
85.02946	1.6
87.00864	1.2
89.02433	0.4
93.03448	5.2
96.96952	6.4
101.02445	0.7
111.04504	1.5
119.03574	0.3
121.06563	0.5
133.10252	0.7
135.04567	2.7
135.08153	0.4
137.02458	0.9
137.09738	0.9
150.98024	1.4
151.03981	0.5
151.08765	0.4
152.99571	100.0
153.99948	1.5
155.03433	1.1
162.03191	0.6
163.07649	0.6
171.00633	4.3
173.03064	0.9
173.04524	16.2
174.04819	0.9
177.05513	0.6
181.08661	2.9
190.03065	0.4
191.05589	8.3
194.09424	1.5
195.06720	0.6
195.10114	0.4
201.11324	1.3
209.11803	1.9
225.07674	1.3
225.11293	4.7
239.75931	0.4
291.08731	0.5
355.11581	1.1
363.16461	0.6
381.13138	12.0
381.17609	0.6
382.13498	1.1
399.14099	27.3
400.14255	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57176	0.3
59.01374	7.9
61.98816	1.6
67.01882	0.8
69.03471	0.6
69.70879	2.2
71.01363	1.9
73.02946	0.6
75.00854	0.4
78.95896	55.8
83.05004	0.7
85.02946	1.6
87.00864	1.2
89.02433	0.4
93.03448	5.2
96.96952	6.4
101.02445	0.7
111.04504	1.5
119.03574	0.3
121.06563	0.5
133.10252	0.7
135.04567	2.7
135.08153	0.4
137.02458	0.9
137.09738	0.9
150.98024	1.4
151.03981	0.5
151.08765	0.4
152.99571	100.0
153.99948	1.5
155.03433	1.1
162.03191	0.6
163.07649	0.6
171.00633	4.3
173.03064	0.9
173.04524	16.2
174.04819	0.9
177.05513	0.6
181.08661	2.9
190.03065	0.4
191.05589	8.3
194.09424	1.5
195.06720	0.6
195.10114	0.4
201.11324	1.3
209.11803	1.9
225.07674	1.3
225.11293	4.7
239.75931	0.4
291.08731	0.5
355.11581	1.1
363.16461	0.6
381.13138	12.0
381.17609	0.6
382.13498	1.1
399.14099	27.3
400.14255	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1293
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
57.03450	1.0
59.01373	10.5
61.98832	0.8
67.01881	0.7
69.03459	0.8
71.01386	2.8
71.62833	0.6
71.63280	0.9
73.02944	6.6
81.03468	1.5
83.05036	0.9
85.02938	4.7
87.00861	1.7
89.02447	0.7
93.03444	9.2
95.01379	1.4
101.02422	1.0
101.06068	2.8
108.02167	100.0
109.02972	19.6
110.03246	0.6
111.04514	2.3
113.02411	1.0
118.98040	0.6
121.02917	1.1
123.04504	0.9
127.04014	1.1
133.02953	1.6
135.04504	4.5
137.02415	1.3
151.03963	1.1
152.01141	53.4
153.01932	15.3
155.03459	3.0
155.25073	0.6
161.38768	0.7
163.03951	1.5
163.11226	2.3
165.01892	1.1
173.04523	15.6
174.04930	1.2
179.03429	1.8
181.12332	25.3
182.12630	1.5
191.05591	22.4
207.10181	0.7
225.11285	21.6
226.11565	1.7
229.01305	0.8
281.10202	1.5
305.95831	0.6
308.96884	0.8
309.14722	1.0
327.15906	1.2
399.12674	59.9
399.64954	1.3
400.13110	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.4
61.98823	14.7
70.74316	0.8
70.74655	1.7
71.01370	3.8
76.46368	0.6
78.95897	1.9
83.04972	0.6
85.02930	3.6
87.00868	1.3
89.02435	1.8
93.03443	5.0
94.00614	0.8
95.05026	1.0
96.96006	6.8
96.96967	1.3
98.19931	0.8
99.00867	0.6
101.02419	1.6
109.02947	1.4
111.00877	0.7
113.02429	1.7
115.23528	0.7
118.98027	0.8
119.03465	0.9
130.08757	0.9
133.03009	0.8
134.91612	1.2
135.04489	3.3
136.01645	0.9
137.02461	0.7
142.31447	0.7
147.04518	1.0
149.99554	2.7
151.03969	1.9
152.99544	1.2
161.02425	1.3
161.04565	1.2
173.04529	11.1
175.11278	1.1
177.01959	1.2
177.05583	4.2
177.99043	11.0
178.99673	1.1
190.99785	2.0
191.05597	16.7
192.05939	0.9
195.06689	0.7
205.98541	100.0
206.99277	27.7
208.00089	4.2
217.03232	0.7
219.10144	0.8
220.00056	1.2
221.00883	88.5
222.01633	38.3
223.02162	2.8
225.11266	9.2
235.02271	1.3
236.03206	1.6
237.04018	43.9
238.04298	2.7
329.19815	0.7
353.05032	1.4
357.13324	1.4
363.16644	0.8
384.06970	14.6
385.07449	1.0
399.09296	51.9
399.26904	1.0
400.09555	5.6
417.06100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.1
61.98826	100.0
70.03880	0.5
71.01387	1.6
71.63067	0.7
73.02936	0.6
76.51316	0.5
85.02954	0.9
87.57822	0.5
93.03456	2.4
96.96017	0.7
101.02454	2.0
137.02444	2.7
139.06717	0.5
163.11424	0.8
173.04504	2.5
173.34375	0.5
188.06059	0.6
191.05643	3.1
215.44589	0.6
249.13300	2.9
291.14578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85615	0.7
55.06721	0.6
55.44305	0.6
59.01372	100.0
60.01721	0.9
61.98833	1.9
67.01905	0.5
69.58339	3.0
71.01380	3.7
73.02943	4.4
73.18665	0.6
73.33082	0.6
78.95906	2.2
83.01411	1.1
83.05045	0.9
85.02958	1.5
87.00864	0.7
93.03455	3.5
95.01372	0.6
101.01876	0.6
101.02412	3.9
102.59550	0.6
107.20320	0.5
112.15108	0.6
113.02482	1.1
137.02444	2.8
140.92702	0.6
151.00461	0.6
155.03465	0.6
161.04604	1.0
173.04532	3.9
179.10767	0.8
191.05591	5.1
195.10152	1.3
208.32278	0.6
316.54297	0.8
399.16498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01376	3.5
62.29441	0.4
67.01892	4.2
69.03445	1.2
69.59883	2.1
71.01370	4.5
71.04045	0.4
73.02927	0.4
78.95901	1.1
81.03465	0.9
82.18643	0.4
83.05023	0.9
85.02953	2.8
87.00852	0.8
87.24776	0.4
93.03450	24.6
94.03776	0.9
98.19852	0.5
99.04560	0.5
109.02943	1.2
111.00861	0.9
111.04510	5.7
113.02451	0.8
127.03986	0.8
135.11789	1.6
137.02457	3.3
142.24229	0.4
151.00349	0.4
152.99597	1.9
155.03494	4.5
173.04529	100.0
174.04852	3.0
179.10760	8.8
191.05600	10.9
207.13844	0.6
223.09763	2.7
236.33127	0.4
237.45641	0.4
269.13885	1.7
284.35526	0.4
303.87717	0.4
353.16055	1.1
397.09811	0.6
397.14944	8.1
397.22430	0.5
398.15207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72624	1.2
59.01376	100.0
69.99389	4.5
69.99817	2.6
71.05019	4.0
86.75924	1.3
98.19872	1.6
99.78493	1.1
102.47343	1.2
216.07895	1.4
287.16528	3.3
300.13754	2.4
397.29242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	28.7
59.01674	1.4
61.98823	100.0
68.30372	0.6
69.35737	1.6
69.36137	4.1
71.01362	3.5
73.02953	1.5
74.99104	1.1
85.02946	2.3
87.00873	0.9
89.02449	1.1
93.03445	6.0
96.95991	0.8
101.02455	2.3
111.04516	1.5
113.02438	1.7
117.98542	0.7
118.98080	17.8
137.02449	5.8
149.06100	1.8
150.06415	1.8
152.99521	0.6
155.03561	0.9
161.04611	1.7
173.04543	11.0
179.10889	0.6
180.11189	1.1
181.12363	1.1
191.05594	9.1
225.11311	1.4
249.13406	2.0
303.75146	0.6
388.04843	0.8
398.11945	1.1
399.16266	1.3
399.21182	0.7
399.26303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14764	0.4
59.01374	10.9
60.01698	1.8
61.01791	1.1
61.98823	100.0
69.37415	4.0
71.01374	0.9
122.60657	0.5
157.56505	0.5
165.66333	0.5
171.10257	0.5
173.04561	0.8
191.05644	0.8
271.49045	0.5
383.81680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98824	100.0
68.30782	0.3
69.25848	1.1
69.26273	1.8
78.95915	0.6
80.95634	0.3
84.00898	0.4
92.25117	0.3
97.02930	0.3
117.73380	0.3
125.09650	0.4
222.08675	0.7
223.09282	0.4
251.75307	0.3
285.06973	1.5
286.07440	0.5
295.79010	0.3
309.20746	2.0
331.18915	0.8
349.48047	0.3
394.18396	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	394.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17786	0.5
59.01370	1.6
60.76762	0.6
61.92677	0.5
61.98825	100.0
71.63355	0.8
74.02480	1.5
149.91428	0.6
235.98503	0.6
260.05682	0.7
309.17252	0.9
309.20575	1.0
313.23956	1.4
394.18243	7.2
394.26135	0.9
395.18982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04957	0.5
57.01312	0.5
59.01374	19.9
61.98824	100.0
62.43515	0.4
71.01376	2.3
71.19633	1.0
73.02934	1.2
78.95896	1.9
85.02959	0.9
89.02445	1.1
93.03492	1.2
96.95995	1.7
101.02435	3.0
113.02430	1.7
119.03475	0.8
119.04996	0.8
131.03514	0.6
133.02916	0.6
152.99593	2.6
159.99390	0.5
161.02432	0.8
161.04575	1.2
163.03978	1.0
171.10228	2.7
173.04552	1.9
177.01959	0.7
191.05563	3.2
193.04922	0.9
288.08408	0.5
314.59262	1.2
383.96768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15464	0.4
57.03451	0.4
57.47257	0.3
59.01375	6.0
61.08555	0.3
61.98822	3.6
69.65900	1.9
71.01372	1.2
73.02949	0.5
75.00860	0.4
78.95898	55.1
85.02950	0.6
85.20444	0.3
87.00888	0.5
89.02431	0.4
90.98604	0.4
93.03463	0.9
96.95988	0.6
96.96957	6.6
101.02402	1.0
102.98589	0.3
111.22319	0.3
113.02400	0.4
118.98064	0.5
131.07120	1.0
135.04553	0.5
141.19426	0.3
150.97986	1.8
152.99574	100.0
153.99919	1.2
161.03174	0.3
161.04584	0.6
161.09659	0.5
171.00635	5.3
171.10219	0.5
173.04550	2.3
175.03975	0.4
175.09647	0.4
175.85535	0.3
179.10739	0.4
191.05638	1.9
193.04932	0.4
199.09656	0.4
219.03195	0.3
223.06163	0.3
235.06065	0.4
253.30286	0.3
312.17999	0.4
325.10721	0.6
337.18713	1.3
353.10089	1.2
379.11621	6.8
397.12579	10.5
397.17603	0.6
398.13095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95141	0.3
57.03444	0.9
58.00585	0.4
59.01377	2.3
60.99304	0.4
61.98819	1.0
67.01888	4.2
69.03445	1.0
69.93218	1.7
71.01379	3.8
73.02928	0.4
81.03458	0.9
83.05031	0.8
85.02961	1.8
87.00865	0.5
93.03453	25.4
94.03772	1.2
109.02934	1.1
111.00854	0.8
111.04519	3.8
113.02454	0.9
127.03963	0.5
129.01845	0.4
133.10236	0.6
135.11769	1.1
137.02417	3.9
148.13097	0.3
155.03474	5.0
173.04532	100.0
174.04893	4.3
179.10779	8.8
180.11125	0.7
191.05594	8.2
197.11772	0.4
223.09793	1.4
270.45026	0.4
353.15887	0.6
397.14923	4.4
398.15317	0.5
419.62671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86074	52.7
61.98830	55.7
71.49388	100.0
74.36521	70.5
179.47943	63.1
362.26077	67.5
418.47656	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45772	1.3
59.01371	21.5
61.98838	3.5
69.13329	1.4
71.05031	1.5
71.62964	1.4
78.95880	4.3
80.91672	4.0
95.01309	1.4
97.02968	1.8
113.09674	1.6
125.09679	1.7
154.10033	2.2
171.10223	7.2
177.12854	2.6
178.29105	1.4
195.13893	3.4
203.10733	6.5
219.10039	2.4
233.11516	3.1
244.10805	2.0
249.22150	2.9
258.12317	4.1
262.11948	9.0
279.91125	1.3
293.21207	55.8
294.21548	6.1
305.19849	2.1
311.22253	85.9
312.22629	8.6
315.19333	12.5
333.20401	100.0
334.20642	10.8
336.19772	1.6
393.23233	1.9
394.23737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35360	1.6
58.00556	1.4
59.01379	31.0
61.98825	21.0
65.29128	1.5
68.99815	1.7
71.01375	11.6
72.99316	16.0
83.01375	1.9
87.00872	3.1
89.02444	11.6
95.69463	1.6
99.00874	57.7
99.92574	16.9
100.01208	1.8
100.90439	2.4
110.21373	1.4
113.99565	3.4
115.00371	22.0
115.92060	9.1
116.92842	18.5
117.01933	7.4
185.11847	1.7
231.21152	2.3
270.40793	1.5
275.20135	100.0
276.20352	8.8
277.21646	5.0
287.20215	2.2
293.21201	3.3
303.23230	18.7
304.23517	2.0
311.22098	1.7
329.21695	1.5
331.18958	1.5
331.22815	2.0
333.20465	2.4
335.22305	1.7
357.20691	2.4
375.12656	5.3
375.21814	2.9
393.14291	7.8
393.22824	17.0
394.15445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61585	2.3
57.74446	1.7
59.01376	14.9
59.74711	1.7
61.47229	1.8
61.98819	2.0
67.09515	1.9
71.01379	12.5
71.62659	3.7
80.91677	7.1
96.95961	2.5
101.30903	2.1
125.99337	1.8
147.81747	2.0
165.01700	2.3
168.17694	1.8
222.08698	100.0
223.08978	5.4
225.02531	2.5
236.10260	9.5
242.75818	1.8
254.07660	8.6
282.09494	22.9
293.21182	4.5
311.22244	34.6
312.22623	3.5
331.17593	2.3
333.20404	69.6
334.20551	5.5
351.20172	3.9
393.21286	9.5
410.23788	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	393.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	2.2
59.01374	22.5
61.98825	51.8
71.62821	2.8
71.63190	3.0
97.02930	2.2
113.09714	4.2
125.09732	3.4
127.11261	4.2
138.10037	2.7
139.11295	17.2
140.11662	2.3
159.72180	2.2
163.11208	2.7
165.12830	3.6
171.10251	19.7
174.41197	2.8
177.08990	2.7
193.08423	7.7
207.09996	19.9
211.13191	2.8
215.10477	3.1
219.10031	4.3
233.11574	18.8
235.38409	2.5
249.22238	3.4
293.21185	47.6
294.21497	6.2
311.22244	100.0
312.22528	9.6
315.19394	7.1
325.10263	2.6
333.20450	85.7
334.20566	5.4
393.22125	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	393.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69437	1.4
56.72454	1.4
57.03434	1.8
59.01376	33.0
59.33860	1.5
61.98825	33.9
65.11012	2.1
70.27433	3.8
70.27823	3.1
75.84770	2.1
95.04981	1.7
97.44666	1.7
111.08098	1.6
113.09708	2.6
118.57776	1.5
119.16457	1.7
125.09708	2.2
129.09213	3.1
139.11258	12.7
147.11778	3.8
161.03586	1.7
165.12823	2.7
171.10243	18.5
181.12308	2.6
183.14032	1.6
185.11806	2.2
185.53659	1.5
193.08444	23.5
193.12230	2.4
197.11847	10.2
199.13380	2.6
207.09999	2.0
211.13417	10.0
215.10503	5.6
233.11557	58.7
234.11954	4.4
249.13513	2.8
251.11310	2.2
253.09276	3.2
293.12488	8.1
293.21191	12.6
294.12732	1.5
311.22235	100.0
312.22540	9.9
315.19492	3.7
331.18881	1.7
333.20370	8.1
377.19614	2.3
393.22504	17.7
394.22577	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01252	0.3
59.01375	100.0
60.01715	1.2
61.98816	0.9
67.23912	0.3
69.26122	2.4
69.26529	0.7
71.84440	0.3
74.03989	0.3
99.31480	0.3
103.99218	0.3
109.90047	0.3
113.02448	0.3
125.09747	0.5
157.19138	0.3
189.36029	0.4
201.11342	1.2
229.10783	0.9
357.22989	0.9
393.19681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66963	1.1
53.61248	0.8
54.89651	0.8
59.01375	100.0
60.01704	1.1
66.67282	1.0
69.51577	4.1
69.51989	1.7
71.01385	1.0
72.99306	1.1
81.32636	0.8
83.05025	2.0
85.02921	1.2
93.03477	1.8
95.09459	0.8
101.02496	1.0
102.55515	0.9
109.02950	9.5
120.99671	1.0
123.69817	0.8
124.92700	0.9
133.23090	0.8
135.04477	1.8
147.04500	3.7
159.04489	13.9
163.11282	1.7
165.12814	1.1
167.07179	1.3
173.04587	2.3
173.06010	0.9
191.05611	2.1
209.11813	98.3
210.12148	6.4
227.12767	4.7
267.06650	0.9
269.08215	5.9
283.15417	0.9
313.63235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36562	0.6
55.01867	1.2
57.03443	1.9
58.07750	0.6
59.01377	32.0
61.98819	1.6
69.39069	5.0
71.01378	12.2
72.99304	1.6
73.02931	5.3
74.99087	1.0
83.01379	4.5
85.02945	9.3
87.00872	2.1
89.02439	3.3
93.03426	2.3
95.01375	1.0
99.00870	1.9
101.01773	0.8
101.02438	13.0
104.55752	0.5
111.00901	1.3
111.04494	1.0
113.02432	4.7
118.98122	0.7
119.03535	1.1
125.76561	0.6
129.01881	0.7
135.04500	0.9
141.01811	0.8
150.05516	0.7
159.02946	1.1
161.04495	1.6
173.04518	4.0
179.03410	0.7
183.13840	1.0
185.15428	1.4
187.75249	0.8
189.14813	0.7
191.05598	7.6
194.04617	0.7
201.13086	0.8
203.11107	1.9
213.14926	2.4
229.14302	1.0
231.16016	8.3
237.97665	0.6
245.12080	0.7
263.13339	0.8
333.19104	2.5
344.90884	0.6
345.94858	0.6
351.20370	0.7
375.20163	11.2
376.20544	0.8
391.19583	0.7
393.21259	100.0
394.16467	0.9
394.21622	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2127
Annotation	JBIR-56
Peak:m/z	Relative Intensity
52.14469	0.5
54.15136	0.3
55.01867	1.7
57.03437	1.4
58.00581	0.9
59.01375	34.5
61.98819	1.0
69.88370	2.1
71.01378	14.6
72.99291	1.2
73.02945	6.7
74.99129	0.5
76.55670	0.4
83.01389	4.2
85.02947	9.5
86.00095	1.3
87.00876	2.3
89.02444	3.3
90.23075	0.4
92.49680	0.4
93.03452	1.9
95.01392	2.0
97.02974	0.6
99.00871	4.9
101.02439	15.4
103.71713	0.5
106.06606	1.6
107.06964	0.6
111.00879	1.2
112.41664	0.4
113.02441	6.2
118.98145	0.9
119.03501	0.7
125.02456	0.6
129.01979	0.5
135.04518	1.1
135.98366	0.6
149.04543	1.0
150.05571	0.9
150.43471	0.4
155.01993	0.4
159.02980	0.9
161.04582	2.2
167.14404	0.5
173.04543	3.1
183.13902	1.0
185.15440	1.9
191.05588	4.8
194.04720	0.6
203.11160	0.8
213.14899	2.7
229.14372	0.7
231.16002	5.7
235.38374	0.4
251.00009	0.4
255.16074	0.6
263.13187	0.8
333.19174	1.7
356.09808	0.6
357.10184	0.7
357.19064	0.6
361.23441	0.4
375.20209	11.3
376.20578	1.6
391.19568	0.7
393.21271	100.0
394.21582	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	393.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.3
57.03429	1.5
58.00566	3.0
59.01374	100.0
61.98790	1.1
69.87357	5.7
71.01377	56.7
72.01662	1.2
72.99271	4.4
73.02940	21.0
83.01333	3.1
85.02945	17.5
87.00845	2.9
88.88038	1.0
89.02439	71.2
90.02762	0.9
93.03423	1.8
95.01392	5.3
96.95969	2.7
98.95572	1.7
99.00874	76.1
100.01188	1.8
101.02438	28.5
110.25067	1.0
111.77333	1.0
113.02440	41.0
114.02658	1.7
117.00141	1.1
119.03500	19.2
120.99619	2.3
125.02390	0.9
131.03516	11.2
135.04445	1.0
143.03398	4.1
149.04530	30.2
161.04518	18.9
173.04430	3.2
177.80406	1.0
179.05629	10.0
191.05595	36.1
231.15878	2.3
233.06554	5.7
261.13330	2.6
285.08557	1.6
293.08740	1.4
351.19705	1.5
364.07611	1.1
375.19904	1.4
393.17285	58.0
393.21164	7.0
394.17535	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87722	1.2
55.01855	1.6
57.03426	1.6
57.66131	1.4
58.00561	4.1
59.01374	100.0
60.01691	1.5
61.98802	2.9
69.99287	6.1
70.97400	1.1
71.01379	55.1
72.99275	4.2
73.02945	18.7
83.01353	2.6
85.02518	1.3
85.02945	15.1
87.00854	2.7
89.02436	67.2
93.03443	2.2
95.01379	6.2
96.96009	1.8
98.19952	2.4
98.95565	1.4
99.00874	66.4
101.02441	24.8
113.02438	38.2
117.31641	1.4
119.02773	1.6
119.03491	17.4
120.99610	2.5
131.03493	11.7
141.07297	1.2
143.03439	4.0
149.04547	34.4
149.05681	1.2
161.04544	17.7
173.04463	2.6
179.05598	7.6
191.05591	40.3
192.05849	2.2
231.15848	2.8
233.06802	5.7
261.13275	2.9
286.47821	1.2
393.17242	52.0
393.21176	6.9
394.17480	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	393.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97861	1.0
59.01374	100.0
60.01703	1.5
71.01360	5.6
71.17201	2.7
73.02918	2.0
79.81792	1.1
85.02910	1.4
87.00853	1.2
89.02438	2.7
93.03446	1.8
96.95979	2.1
101.02443	3.8
113.02457	2.7
144.14064	1.1
157.08638	1.3
161.04565	1.9
167.66266	1.1
173.04492	3.7
175.03896	3.2
191.05556	4.8
209.26717	1.1
291.14359	1.3
303.06183	2.6
315.06128	1.2
326.67459	1.1
333.15482	8.9
393.13129	20.5
393.17590	1.5
394.13477	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	393.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04922	0.7
55.40867	0.7
59.01376	100.0
60.01707	2.1
61.98827	17.1
65.86452	0.6
71.01380	7.7
71.16940	0.8
71.62786	1.1
73.02948	1.1
75.00930	0.6
83.01386	1.1
85.02948	4.2
87.00885	1.5
89.02441	3.0
93.03478	2.6
96.96020	2.9
99.00925	0.9
101.02445	5.1
105.21321	0.8
111.00841	0.8
113.02454	3.7
119.03503	1.5
147.04518	0.8
157.08722	1.8
159.03017	0.8
161.04553	1.5
173.04610	4.6
174.04890	1.1
183.77075	0.8
189.15063	0.8
191.05554	6.8
303.06354	1.0
333.15555	6.2
333.19284	3.9
350.92310	0.8
351.20187	3.0
393.13181	14.0
393.17673	1.6
394.13336	2.7
394.18256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
58.27574	1.4
59.01375	100.0
61.98824	29.9
63.41000	1.3
71.01377	15.0
71.62589	2.2
72.00889	1.9
72.99287	2.8
73.02945	3.1
83.01366	2.1
84.95094	1.8
85.02942	7.0
87.00860	6.2
89.02441	10.1
93.03441	7.3
95.01392	2.2
96.96017	9.6
101.02440	8.4
113.02440	7.7
119.03555	2.7
119.05012	1.9
121.02958	2.1
123.04443	1.8
134.03728	8.3
135.04478	4.9
136.05252	4.6
137.02397	3.1
144.04572	1.6
149.02390	6.5
149.06070	2.8
150.03171	4.8
157.55824	1.6
158.06056	4.8
161.04581	1.8
162.03171	5.5
163.03925	1.8
165.05528	5.1
173.04535	9.0
177.05569	10.6
178.02722	3.3
191.03606	3.3
191.05573	16.3
193.05115	19.3
195.06604	53.2
196.06789	1.7
213.11192	1.6
220.06293	2.2
231.04025	4.1
292.21027	1.5
303.06171	15.0
315.05948	2.2
333.15546	9.8
345.13474	9.2
355.10754	2.5
357.11758	11.4
389.44150	1.5
393.12732	3.8
393.17294	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	392.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.4
61.98825	100.0
69.35552	0.4
78.95898	0.5
90.17281	0.3
91.36351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90129	0.7
59.01376	19.8
59.55258	0.6
60.01717	1.2
61.01803	1.2
61.98825	100.0
64.90098	0.5
70.72061	0.7
71.01374	3.8
71.62372	0.8
73.02950	0.7
85.02960	1.4
87.00878	1.0
87.89165	0.6
89.02435	3.5
93.03457	2.5
93.23708	0.6
96.96057	1.4
99.00851	0.8
99.02728	2.8
101.02455	2.7
113.02449	1.8
117.60328	0.7
119.03500	1.2
128.03546	1.9
135.04483	0.7
137.02425	2.1
143.01714	7.3
143.04568	1.0
149.02431	1.8
149.06111	1.1
150.03224	2.6
151.04018	1.0
152.07130	6.4
161.04539	1.5
162.03116	0.8
165.05585	2.1
167.07159	0.7
173.04533	6.6
179.05695	1.3
180.04327	0.9
191.05641	1.9
192.05942	1.1
193.05084	1.8
194.08263	1.0
195.06584	3.3
195.49762	0.6
219.12367	2.0
272.08862	0.8
303.06238	0.9
311.07846	1.0
333.06033	1.1
333.15543	1.2
345.13400	2.2
352.28250	0.6
356.13596	2.1
357.11984	1.0
392.15005	1.0
393.17392	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	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.3
59.01089	2.7
59.01376	52.6
61.98812	2.2
69.03452	6.9
71.10043	1.8
71.10366	1.7
79.95764	2.1
82.87737	1.7
93.03468	3.5
95.05039	1.8
95.87873	1.4
96.96005	49.0
97.06577	2.3
107.08666	1.5
109.06580	1.6
111.08170	8.8
119.08646	14.9
121.06615	2.4
121.10201	4.1
123.08060	2.2
125.09705	6.8
127.11279	5.1
135.08131	2.9
137.09706	41.3
138.10097	2.9
139.11270	7.0
149.09758	2.0
151.11288	4.0
153.12857	1.7
155.10779	3.9
165.09171	1.8
166.88210	1.6
167.10831	3.4
169.12292	2.5
171.10251	82.9
172.10556	4.0
175.97523	1.6
179.10506	4.4
183.10283	3.3
185.11775	20.2
191.10672	2.1
193.08449	14.5
197.11778	13.1
201.11301	4.5
207.09998	85.6
208.10326	4.9
211.13394	4.0
213.11304	5.3
215.01619	1.6
219.09987	20.1
221.11537	2.2
223.11729	2.6
227.17992	1.9
229.19475	2.5
245.19046	7.2
252.09853	1.8
253.09230	7.2
267.10767	3.0
273.18661	7.9
274.18878	2.0
287.16409	2.3
291.19598	32.2
292.19833	3.6
293.12592	1.9
295.16763	6.3
309.20670	100.0
310.21176	8.6
311.16199	1.8
313.17813	88.6
314.18192	9.6
326.24902	1.6
331.18466	6.7
373.18689	1.9
391.17844	10.3
391.20779	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	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	2.5
59.01374	39.9
61.98817	4.2
69.03448	3.6
69.72711	10.0
72.66139	1.4
78.95945	2.0
80.91679	4.6
88.42393	1.5
88.85150	1.9
96.96007	5.6
97.02942	22.7
97.95020	1.5
107.05017	1.6
111.04489	3.0
111.13903	1.7
113.02480	2.1
120.47874	1.4
123.04486	2.5
123.08179	2.1
137.09714	2.7
152.08344	2.1
171.10341	1.7
177.12860	2.0
185.11563	1.4
185.93025	1.4
186.42651	1.4
193.08469	2.5
193.12250	2.0
195.13922	4.1
204.46236	1.4
207.09978	3.6
211.00233	1.8
212.81732	1.5
216.91327	1.6
219.92378	1.5
221.11632	2.8
226.10590	1.5
233.11510	3.8
245.11543	4.5
247.20673	5.7
257.51297	1.5
261.11035	4.8
261.24091	1.8
262.11823	100.0
263.12207	8.9
291.19638	64.3
292.19809	7.3
294.09476	3.3
309.20715	53.9
310.20816	7.5
313.17914	1.9
322.12741	6.5
331.18854	53.1
332.18982	4.7
391.18579	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92117	0.5
55.01484	0.5
55.01872	1.5
57.03439	1.0
58.00597	0.7
59.01375	100.0
60.01711	1.3
61.67766	0.6
67.01905	0.5
69.03466	0.6
71.01377	32.9
71.63368	0.8
72.99307	1.2
73.02943	16.6
73.03339	1.1
73.95982	0.6
79.95747	0.7
83.01370	4.7
85.02944	9.8
87.00866	9.0
87.04520	0.7
89.02438	11.3
95.01379	2.2
97.02960	1.7
99.00869	3.2
101.02436	22.9
101.06180	0.6
102.02813	0.9
111.00879	7.9
113.02435	10.2
115.07628	0.8
119.03496	3.9
125.02473	1.3
126.37080	0.6
129.01949	1.1
131.03476	0.8
141.01930	2.0
141.09213	17.6
141.10291	1.2
142.09525	1.1
143.03528	1.9
143.10751	5.2
159.03043	2.1
161.04538	13.1
173.04591	0.8
179.05663	0.9
187.09773	0.7
187.13409	1.5
189.14944	1.0
203.05663	1.6
246.84718	0.7
259.15515	0.7
301.16608	1.5
331.17679	5.8
349.18631	31.8
350.18933	3.6
391.19534	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03445	1.7
58.00579	0.8
59.01374	100.0
60.01717	0.9
61.98814	0.4
63.51068	0.3
67.01879	0.4
69.03455	0.8
69.53283	1.6
69.53688	0.9
71.01376	36.6
72.01725	0.6
72.19379	0.4
72.99314	1.5
73.02940	16.9
75.00884	0.4
83.01381	5.7
85.02944	12.7
86.00102	0.8
87.00867	12.8
89.02435	13.0
93.03455	1.1
95.01389	2.3
97.02959	1.2
99.00865	3.3
101.02436	29.0
103.00368	0.8
111.00900	1.6
113.02438	13.0
115.07640	0.6
119.03479	4.2
120.72009	0.4
125.02452	0.9
129.01941	0.7
131.03522	0.9
135.04515	0.7
141.01917	0.7
141.09207	17.7
141.10271	0.9
142.09569	0.6
143.03442	2.2
143.10770	6.0
145.05090	0.5
153.12892	1.6
155.99438	0.4
157.49457	0.4
159.03030	1.8
161.04538	13.7
161.05824	0.9
162.55597	0.4
167.10793	1.6
169.12349	0.5
171.13889	0.7
173.04585	1.7
179.05617	1.0
185.11894	0.7
187.09848	0.6
187.13477	1.7
191.05614	2.9
192.05965	0.4
203.05698	1.3
211.13330	0.5
228.48036	0.4
229.14539	0.6
255.47133	0.4
257.08261	0.5
259.15424	2.1
301.16800	0.8
301.80017	0.5
331.17557	10.7
332.18088	0.7
349.18616	35.9
350.18930	3.0
364.41235	0.5
391.12000	0.5
391.19705	4.1
392.20270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58601	0.3
55.01876	0.6
58.00587	1.3
59.01376	100.0
60.01714	1.0
69.45102	3.3
71.01378	20.5
72.01726	0.4
72.99316	1.3
73.02526	1.0
73.02943	12.7
73.03338	0.8
81.07074	0.5
83.01376	3.9
85.02943	4.7
87.00838	1.0
87.04506	1.3
89.02438	16.4
95.01405	1.2
99.00896	1.3
101.02433	17.6
101.06181	0.4
102.02766	0.6
113.02438	8.5
119.03487	6.4
121.07206	0.5
125.02444	0.8
131.03493	1.4
135.98369	1.0
143.03500	2.1
149.04543	1.2
161.04543	5.9
173.04498	0.9
179.05640	3.0
187.13397	6.5
188.13737	0.5
206.41647	0.4
331.17545	4.3
332.17987	0.5
349.18622	16.7
350.19162	1.6
388.19739	0.5
391.19745	3.1
408.85471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01868	1.3
57.03437	1.0
58.00599	0.7
59.01374	95.8
59.52403	0.5
60.01698	1.5
61.98796	0.6
65.17396	0.5
67.27113	0.5
70.03880	2.7
71.00983	1.2
71.01374	21.0
71.01758	1.1
72.99300	0.8
73.02943	3.3
83.01394	2.2
85.02948	6.3
87.00868	2.1
87.04519	0.6
88.15498	0.7
89.02439	16.6
95.01382	1.2
96.00912	1.1
98.02469	1.0
99.00856	1.1
101.01774	1.0
101.02434	16.5
101.03075	1.0
106.06612	0.7
107.05034	4.8
111.00903	0.6
113.02435	8.3
119.03487	8.0
124.30963	0.5
130.08719	1.7
131.05014	0.5
135.04437	0.7
143.03442	1.0
159.03015	0.7
161.04541	2.8
170.61922	0.5
173.04530	1.8
179.05560	1.1
187.09721	1.3
191.05641	1.5
199.59930	0.5
211.13359	1.0
216.14064	0.5
303.16214	1.0
312.03543	0.7
322.32016	0.6
357.14502	3.4
373.18500	5.9
374.17206	1.5
391.19601	100.0
392.19952	11.1
392.24530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60073	0.8
59.01376	9.1
61.75482	0.8
61.98827	100.0
62.20678	0.8
71.23021	1.2
71.23344	1.1
72.68781	0.8
72.99284	1.0
78.95895	7.0
84.43396	0.8
84.50603	0.9
141.98868	1.3
173.04575	1.3
182.35349	1.0
303.47620	0.8
383.21066	1.0
407.25162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77601	0.9
59.01375	100.0
60.01706	1.8
61.98798	1.0
69.94506	4.6
71.01377	10.3
71.83739	0.8
73.02937	3.6
76.61861	0.8
83.01395	1.5
85.02936	4.5
87.00881	2.1
89.02431	2.7
93.03439	2.8
98.19883	1.0
99.00861	1.4
101.02417	8.4
113.02448	4.3
119.03500	1.0
134.06071	1.0
135.04401	1.2
135.98347	3.2
136.07632	1.0
161.04549	3.7
171.05539	1.0
173.04526	10.4
185.05934	1.0
191.05553	2.8
200.08348	1.2
214.06151	3.0
217.10875	2.1
217.14432	2.5
228.07771	3.6
229.14354	1.4
244.07249	2.4
256.06024	1.1
257.06857	3.6
269.10287	5.7
271.08328	18.8
271.11203	1.0
272.08664	1.6
311.11459	1.9
319.21173	1.3
331.17566	2.0
349.18689	1.8
391.12585	19.9
391.19403	6.2
392.12750	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81387	0.3
55.01870	1.4
57.03438	1.4
58.00595	1.1
59.01374	100.0
60.01714	0.9
61.98823	0.4
69.03452	0.8
69.98873	1.9
71.01379	22.9
71.05016	0.4
72.01737	0.8
72.99315	1.2
73.02940	12.1
75.00859	0.4
78.95911	0.9
81.03488	0.4
81.70576	0.4
83.01377	3.5
85.02953	7.1
87.00882	1.2
87.04488	1.9
89.02435	13.1
93.03461	1.2
95.01353	1.9
95.05025	0.6
97.02991	0.5
98.19851	0.4
99.00898	1.9
99.04510	0.6
101.02433	16.1
111.08127	0.4
113.02437	13.7
113.06092	0.3
113.64238	0.4
114.02739	0.5
119.03493	4.4
120.99654	0.5
125.02454	0.6
131.03452	0.9
139.04030	0.7
143.03549	1.3
155.03465	0.4
155.10789	0.8
159.02986	0.8
160.01646	0.6
161.04549	6.8
162.04977	0.5
169.12422	0.4
171.10310	1.2
173.04608	2.0
175.03955	0.8
179.05675	0.6
185.11873	1.1
187.13380	11.1
188.13797	0.7
191.05670	1.7
211.09848	1.1
217.10760	3.1
217.14410	0.6
280.32611	0.4
331.17551	10.2
332.18002	1.1
349.18646	15.5
349.22900	0.8
350.19104	1.4
355.10309	0.4
382.68686	0.4
391.11081	0.8
391.15869	1.1
391.20108	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58061	0.4
59.01369	1.4
61.98825	100.0
67.49031	0.4
69.28605	3.0
69.29032	1.0
69.87128	0.4
87.36178	0.4
87.62265	0.5
96.96034	0.7
117.93877	0.4
125.09681	0.5
171.10294	0.7
201.11346	1.1
211.33434	0.4
240.24677	0.4
293.17615	1.0
311.18613	0.4
337.16614	0.5
341.39261	0.5
355.17651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98826	100.0
70.38036	2.6
88.66796	0.7
90.53224	0.5
105.64368	0.6
378.86334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.1
61.98828	100.0
71.01388	0.9
71.63643	1.0
72.99300	1.6
75.90844	1.0
78.95910	2.1
101.02448	0.8
111.53764	0.6
150.62750	0.6
153.80107	0.7
187.08011	0.7
222.87170	0.8
256.07816	0.7
311.36108	0.8
321.83276	0.8
331.07788	0.8
345.21350	0.8
407.03391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.45412	25.3
61.77320	22.5
61.98813	32.1
63.11459	21.9
71.23202	25.5
71.63216	37.1
71.63597	27.0
81.06206	24.2
91.11319	22.9
105.74276	23.3
110.69775	25.7
127.05945	23.6
146.80963	24.6
148.35909	23.6
317.37793	26.4
356.39322	26.6
357.69421	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.17442	55.4
114.17422	33.7
158.34010	37.1
159.61911	31.6
179.63286	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10406	1.0
58.16423	1.1
59.01374	100.0
60.01696	1.1
69.78812	4.2
69.79212	2.7
98.19834	1.3
217.55853	1.1
223.80321	1.1
231.51591	1.3
245.11919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40187	0.9
53.26194	0.9
58.06486	0.9
59.01375	100.0
60.01724	0.9
61.98814	1.2
103.91258	1.0
115.73306	0.9
169.41313	1.3
210.96227	0.9
274.59326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03434	1.4
58.00586	1.0
59.01375	87.0
60.01725	1.3
61.98144	0.8
61.98822	1.6
66.22749	0.8
71.01383	6.0
71.63527	1.2
72.99285	1.4
73.02913	1.4
80.96514	2.5
81.42688	1.0
83.05017	1.2
85.02940	2.4
87.02753	1.7
89.02444	3.7
96.77398	0.9
101.02431	3.3
109.67590	1.0
113.02444	3.8
114.01464	1.2
120.73124	0.9
121.03009	1.1
129.46016	0.9
135.04601	1.1
137.00667	1.1
161.04518	1.6
165.00092	4.0
165.12836	19.1
173.04510	1.9
180.32452	1.0
183.13882	70.5
184.14220	5.2
191.05492	1.6
197.15382	2.9
201.05684	0.9
207.13831	1.3
209.11803	2.6
217.33014	1.1
225.15057	1.5
227.12859	100.0
228.13187	7.6
251.12920	3.0
259.13803	6.1
269.13251	3.1
288.33694	1.0
307.06406	3.6
327.16116	1.5
328.81821	0.9
389.17664	3.5
389.25400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1814
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03428	1.0
58.00585	1.6
59.01376	47.5
60.01697	0.5
60.99281	0.7
61.98824	1.1
69.66583	3.6
71.01379	20.7
72.01686	0.6
72.99299	2.2
73.02942	1.4
77.48450	0.5
78.98055	0.5
81.07414	0.6
83.01376	1.8
85.02950	5.5
87.00874	0.8
87.04517	1.1
89.02437	19.0
93.03463	1.3
95.01399	1.5
96.96007	0.9
97.06585	0.7
101.02439	15.4
113.02444	6.5
119.03478	6.3
127.07730	0.7
131.03522	0.9
147.11775	2.1
161.04430	0.7
163.15109	0.5
173.04538	4.4
181.73941	0.6
191.05606	3.0
191.10693	0.7
197.31194	0.5
206.21489	0.6
209.11794	10.3
210.12250	0.6
215.12828	4.4
227.12877	1.7
313.11902	0.6
389.18130	100.0
390.18488	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	389.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.3
59.01379	2.3
61.98827	3.0
62.96400	0.4
69.40279	2.6
69.70969	0.2
72.99298	1.1
76.03743	0.3
78.95898	100.0
81.23463	0.3
87.00880	0.5
96.96954	32.4
104.06187	0.3
107.32741	0.3
113.02649	0.3
123.76017	0.3
132.85506	0.3
173.04482	0.4
173.05894	0.3
187.07536	0.3
201.05516	0.5
203.07169	0.3
203.38150	0.3
214.06258	0.4
215.06992	0.3
229.08745	0.4
232.25508	0.3
247.09668	0.4
274.08017	0.3
389.17230	11.0
390.17703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12957	0.5
57.03450	2.5
58.00567	0.8
59.01374	21.6
59.01673	1.3
60.25184	0.5
67.01900	4.6
69.03448	1.0
71.01378	12.7
71.05002	0.7
71.62891	0.8
72.99308	1.1
73.02941	1.8
75.05006	0.4
80.12965	0.5
81.03459	0.9
83.01389	1.4
83.05009	0.9
85.02943	4.5
87.00865	1.2
87.04500	6.2
89.02440	5.4
93.03452	26.9
94.03796	0.7
95.01341	0.7
96.96008	1.0
99.00893	1.4
99.04497	0.7
101.02437	8.7
101.06078	1.7
102.05589	1.1
109.02925	2.7
111.00865	1.0
111.04492	4.8
111.08196	0.5
113.02425	4.6
118.98048	0.6
119.03491	2.0
120.99686	1.2
125.03568	1.1
127.07629	1.0
128.03531	0.9
130.08714	3.8
131.03683	0.8
132.04526	1.7
135.04532	0.8
135.98357	1.2
137.02441	6.0
139.11197	0.5
143.11868	3.0
144.04529	1.6
146.04556	1.8
147.11798	0.8
152.04767	0.7
155.03525	5.2
161.02490	0.9
161.04474	0.9
167.07130	1.0
169.12309	2.7
171.13866	1.1
173.04530	100.0
173.69864	0.6
174.04866	4.5
186.28900	0.6
187.10728	0.7
191.05600	5.6
209.11852	1.4
215.12860	14.6
215.74988	0.6
216.12904	0.7
217.05093	1.2
256.13220	0.7
290.34235	0.6
295.36948	0.6
315.50958	0.6
327.08621	1.1
345.10681	0.8
347.16971	1.1
389.18124	34.9
390.18124	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	389.1632
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
54.36890	0.7
59.01380	5.8
61.98824	30.7
71.01372	0.9
71.63167	0.7
72.99307	2.5
73.64042	0.8
74.59451	0.7
78.95872	1.1
79.95734	100.0
80.96520	8.8
94.14281	0.9
96.96008	44.8
97.02941	3.6
100.24226	0.9
125.32023	0.9
131.10164	0.9
137.98732	0.9
150.73575	1.0
176.98633	1.0
187.07614	1.4
203.07170	1.8
229.08739	1.6
247.09621	1.1
291.19611	9.7
292.19977	1.5
309.20706	5.3
359.23990	0.9
389.16357	64.6
390.16595	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	389.1636
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
59.01375	1.6
61.98826	2.3
69.95744	0.8
71.03709	0.2
71.04970	0.3
79.95729	4.3
80.23733	0.2
80.96503	1.2
93.03506	0.4
96.96004	100.0
97.95930	0.3
109.06599	0.6
111.04505	0.4
121.06600	0.9
149.06027	0.3
162.71324	0.2
167.18282	0.2
245.19063	0.3
257.11560	0.3
265.06927	0.3
289.18027	3.4
309.20682	1.1
329.17151	2.4
389.16351	38.8
390.16696	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78248	0.8
56.14637	1.0
58.00580	1.8
58.32053	0.9
59.01374	100.0
60.01707	1.8
60.10965	0.8
61.98826	17.4
66.68313	0.8
71.01379	31.5
71.62212	1.3
72.99295	2.2
73.02941	2.3
82.95420	5.6
83.01387	1.4
85.02947	6.2
87.00880	2.1
89.02439	42.5
93.03457	3.3
95.01372	2.6
96.95999	1.4
101.02439	22.8
101.07585	1.0
104.02679	1.5
104.94085	0.9
113.02438	14.7
119.03490	18.2
123.04446	1.1
131.03482	1.9
134.03748	9.0
135.04492	4.0
141.29416	0.9
143.03462	3.3
148.01587	1.7
149.04541	2.1
149.06071	14.2
161.04521	3.6
167.07101	2.2
173.04553	8.1
174.06648	0.9
176.01134	16.6
179.03427	3.4
179.05551	6.5
191.03490	28.1
191.05545	4.7
210.05548	1.0
215.09227	3.6
218.15530	1.0
329.12372	17.1
353.08694	2.6
389.14102	2.2
389.18451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24961	0.5
59.01374	100.0
60.01721	1.2
62.83598	0.6
69.77270	0.9
69.77677	2.3
70.01490	0.6
71.01371	4.5
73.02947	1.7
85.02952	0.9
85.99373	0.5
99.00885	0.9
101.02422	2.7
113.02438	1.5
116.53797	0.6
121.02938	0.7
122.03767	1.5
125.02443	0.9
143.03496	0.5
152.04778	17.9
153.05151	1.1
159.03073	0.6
161.04547	5.6
167.07115	31.4
168.07477	1.7
230.15041	0.6
242.45740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.99318	1.0
61.98829	6.4
62.24549	0.9
62.39535	0.8
65.38909	0.7
66.68295	0.9
71.01385	6.2
71.62135	1.1
72.99311	1.4
73.02946	1.9
73.54224	0.8
75.00883	2.7
85.02941	2.0
88.98820	7.3
89.02441	2.3
93.03457	2.1
96.95989	1.8
96.96941	0.9
97.02952	2.5
101.02431	2.8
113.02438	2.0
116.07136	1.3
117.55489	0.9
123.00881	1.5
125.02444	16.8
125.29868	0.8
126.02778	1.0
135.04543	1.2
137.02470	1.9
141.01619	0.9
150.01466	1.8
151.00406	0.9
151.04015	0.8
152.01151	19.9
152.04773	5.9
153.01929	53.9
154.02278	2.3
161.04561	2.9
166.05080	2.1
167.03470	16.3
167.07115	10.6
168.04265	44.5
169.04677	1.1
173.04538	3.3
176.01149	3.5
183.06606	66.3
184.06929	4.3
191.03542	6.5
191.05377	5.2
209.02788	1.0
215.09166	1.0
215.91560	0.9
227.03807	5.2
237.06084	1.7
315.07211	6.9
316.07425	0.9
316.54883	0.9
330.09442	6.2
367.74875	1.0
389.10742	9.4
389.19540	1.2
390.20844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69536	1.0
59.01373	18.0
61.98829	15.0
67.42241	0.9
69.11488	0.9
69.78934	5.7
71.01362	4.7
73.02951	1.3
76.96712	1.0
83.40074	1.0
84.49000	1.0
85.02934	1.4
87.00871	1.1
89.02446	2.5
93.03439	1.1
95.01368	1.1
96.96021	1.4
98.20544	1.8
101.02422	2.4
101.74279	1.3
102.98566	1.1
104.02686	4.4
111.84010	0.9
119.03484	1.5
121.02971	1.0
126.56812	0.9
135.04501	4.2
148.01640	5.7
165.05504	1.0
167.07127	2.1
173.04530	5.0
176.01131	57.1
177.01538	4.5
179.03448	1.5
191.03485	100.0
191.05309	3.9
192.03787	6.6
210.05609	1.6
215.09286	2.1
215.12852	2.9
237.62621	0.9
353.08957	1.3
383.24545	1.3
385.54895	1.3
389.14172	2.5
389.18539	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	388.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.4
60.32851	0.6
61.98823	100.0
63.89150	0.7
66.72638	0.7
71.01363	0.7
72.99318	0.7
76.52631	0.6
78.35238	0.6
79.95726	3.7
80.96527	1.2
81.03442	0.6
89.01091	0.6
96.81566	0.7
96.95998	6.5
173.04594	0.9
236.22998	0.7
247.09528	0.7
263.38718	0.7
291.19818	0.8
373.52643	0.7
389.16193	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	388.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98825	100.0
69.30312	1.8
69.30726	1.2
101.45424	0.3
106.47770	0.4
124.87123	0.3
147.49504	0.3
147.56903	0.4
153.74348	0.3
177.17818	0.3
177.74364	0.3
200.81117	0.3
267.45871	0.4
299.70572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15297	0.4
53.77367	0.4
54.29688	0.4
57.47784	0.3
58.42554	0.4
58.57297	0.3
59.01376	1.4
61.40833	0.3
61.98824	100.0
62.09827	0.3
63.96221	0.4
71.63178	0.6
79.95747	1.2
83.58485	0.4
83.92257	0.4
89.40813	0.3
161.86217	0.4
217.88132	0.3
277.52921	0.4
278.17487	0.4
389.19998	0.6
406.25797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
61.98827	100.0
71.01385	1.2
74.85871	0.3
76.09181	0.3
76.72691	0.3
79.20132	0.3
85.02931	0.4
86.36375	0.3
87.69131	0.3
89.02449	0.5
91.58459	0.3
93.03464	0.8
98.19795	0.4
101.02459	0.5
113.02441	0.4
148.01680	1.1
165.05472	0.6
166.05911	0.7
173.04546	1.7
176.01134	5.6
191.03491	11.3
191.05350	0.7
297.42639	0.4
388.17313	1.0
389.14182	0.7
389.18546	0.5
395.00214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2901
Annotation	(2E,6S)- 6-[(1R,3aS,5Z,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-Decahydro-9-hydroxy-3a,6,10-trimethyl-1-cyclopentacycloundecenyl]-2-methyl-2-heptenoic acid
Peak:m/z	Relative Intensity
51.99675	0.4
59.01374	16.0
59.59289	0.3
69.69352	1.5
69.69767	0.7
72.91670	0.4
93.03403	0.5
96.96036	0.4
96.96712	0.4
98.19884	0.4
117.03453	22.4
119.05019	12.8
120.05387	0.7
121.02947	7.7
123.04510	2.4
133.03009	1.7
134.03687	0.9
141.01682	14.5
145.02936	36.9
146.03259	1.6
147.04523	0.4
162.03235	1.4
163.04005	4.6
164.04153	0.4
172.65688	0.4
194.21860	0.3
223.01941	1.2
387.28989	100.0
388.29321	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	387.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76038	1.2
59.01373	100.0
61.98829	9.2
70.76116	3.0
124.38338	1.2
132.20425	1.2
137.33397	1.1
253.21744	9.6
254.22243	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	387.29
Annotation	(2E,6S)- 6-[(1R,3aS,5Z,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-Decahydro-9-hydroxy-3a,6,10-trimethyl-1-cyclopentacycloundecenyl]-2-methyl-2-heptenoic acid
Peak:m/z	Relative Intensity
61.02991	0.3
69.53091	0.8
69.53500	1.7
72.36739	0.3
86.92323	0.3
89.91051	0.3
93.03432	0.3
105.03439	0.4
115.66678	0.3
117.03464	29.2
118.03660	0.4
118.04231	1.2
119.05022	16.6
120.05379	0.4
121.02950	8.9
121.03837	0.4
122.03312	0.4
123.04523	2.8
133.02928	1.8
134.03719	0.7
145.02942	47.7
146.03278	2.2
147.04517	0.4
162.03185	2.6
163.03993	5.6
346.59265	0.3
387.28992	100.0
388.29358	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	387.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
61.98827	76.5
65.39964	40.2
105.69630	43.5
242.09457	54.2
260.23749	50.6
270.70383	41.2
330.71417	46.3
345.41287	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	387.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01089	0.3
59.01378	5.7
60.99289	0.7
62.96315	0.2
64.75064	0.2
67.01890	4.4
69.03461	1.0
71.01379	3.8
73.02933	0.2
81.03446	0.8
83.01403	0.3
83.05003	0.9
85.02959	1.0
87.00870	0.2
89.02456	0.2
93.03452	28.3
94.03801	0.8
95.01365	0.3
97.06590	0.2
99.00860	0.2
99.04538	0.3
101.02435	0.5
104.71169	0.2
109.02941	0.9
111.00879	1.3
111.04513	5.2
113.02440	0.7
120.67107	0.2
127.04023	0.6
137.02432	5.2
138.02754	0.2
147.21045	0.2
151.00331	0.5
155.03491	4.6
156.03767	0.2
161.04533	0.3
173.04539	100.0
174.04890	4.5
183.13887	3.9
188.86438	0.2
190.99550	0.2
191.05531	0.3
195.13884	3.0
196.14264	0.3
213.14951	23.5
214.15286	1.9
260.46078	0.2
296.45441	0.2
298.01019	0.3
301.20139	0.4
345.19205	0.7
350.18164	0.2
355.04587	0.3
387.20203	12.8
388.20547	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	387.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29459	1.4
59.01386	7.6
61.98824	6.1
63.96235	76.6
64.96999	1.8
70.58442	3.8
71.01386	1.6
79.95731	100.0
80.96510	16.9
88.16870	1.4
116.40553	1.4
119.08644	1.5
132.99585	2.7
137.09671	5.2
141.01666	2.2
173.06409	4.3
177.05516	8.3
195.06606	3.8
277.11182	1.6
372.85089	1.5
387.18454	47.7
387.25491	1.9
388.18719	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	387.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79554	0.6
53.65649	0.7
55.01876	1.2
57.03434	2.1
58.00573	1.0
59.01377	24.6
60.01677	0.7
60.99297	0.7
61.98838	3.8
67.01869	0.8
69.03443	1.5
71.01379	28.6
71.05003	0.6
71.62643	1.0
72.01716	0.9
72.99300	1.6
73.02941	9.1
75.00912	0.7
77.42752	0.6
83.01391	3.2
84.23119	0.6
85.02947	12.4
86.03333	0.9
87.00871	1.8
87.04523	0.8
89.02444	6.5
93.03467	4.7
93.46857	0.7
95.01374	1.8
96.04533	0.6
96.96032	0.7
97.06605	0.7
99.00859	3.7
101.02442	16.3
103.13873	0.6
113.02438	9.9
118.98109	1.0
119.03481	2.0
119.05021	0.8
120.99667	0.9
125.02412	1.2
137.02437	0.7
137.09727	2.8
139.11288	9.9
143.03485	1.5
153.09209	0.8
155.03493	1.0
159.02937	1.9
161.04556	11.6
163.11273	2.2
173.04538	16.1
174.04877	1.0
179.03502	5.3
181.12289	1.4
183.10249	100.0
184.10579	5.1
189.12854	2.8
191.05623	2.9
194.05846	0.9
207.13985	3.3
213.11317	1.7
225.14937	5.8
281.09329	2.2
286.77518	0.7
314.62344	0.6
345.15582	0.8
357.09808	1.3
372.12103	2.2
387.11111	1.4
387.16412	3.5
387.20544	1.5
388.26898	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
58.00575	1.0
59.01377	66.1
60.01726	0.8
68.21365	0.5
69.61627	2.1
69.62029	1.0
71.01380	14.4
73.02951	0.7
80.43523	0.5
83.01369	0.8
85.02933	3.1
87.00885	0.8
89.02438	12.5
93.28204	0.5
95.01394	1.3
99.00849	0.6
101.02439	10.0
113.02439	5.7
119.03477	5.0
163.11272	5.0
173.04608	0.7
176.10258	0.5
179.05675	0.6
207.10246	11.2
208.10558	0.7
302.66550	0.4
387.16571	100.0
388.16974	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23273	0.5
54.40732	0.5
57.03449	1.3
58.00589	1.3
59.01376	87.8
60.01711	0.9
61.30087	0.5
63.65482	0.5
64.04095	0.5
71.01376	19.4
72.99307	1.1
73.02943	2.0
73.51263	0.6
83.01406	1.3
85.02933	4.8
87.00832	0.7
89.02438	16.1
90.49042	0.6
92.12849	0.5
93.03462	1.2
95.01366	0.9
98.20655	1.4
99.00864	0.7
101.02441	10.6
108.26996	0.5
111.16680	0.6
113.02442	6.9
119.03506	6.7
119.04958	0.7
137.06026	0.7
147.08138	1.0
147.68872	0.6
149.04433	0.6
161.04547	2.2
163.03983	0.6
163.11284	15.9
164.11646	1.0
167.03566	0.7
173.04526	2.2
179.05533	0.9
191.05597	0.6
202.05005	0.6
202.93117	0.7
207.10202	3.3
223.08173	0.9
225.11224	1.1
281.41452	0.5
306.70587	0.5
387.16565	100.0
388.16919	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67131	0.5
57.03436	0.9
58.00591	1.4
59.01376	83.8
60.01719	0.8
69.34576	0.6
70.37186	2.2
71.01379	17.5
72.99303	1.2
73.02962	0.7
81.47254	0.5
83.01390	0.9
85.02937	3.8
89.02439	17.1
95.01384	0.8
101.02431	9.6
113.02430	6.9
119.03477	4.8
142.55243	0.6
163.11263	4.5
171.13153	0.5
207.10248	12.6
208.10555	0.9
235.47328	0.5
238.10190	0.6
387.16562	100.0
388.16879	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	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07616	0.5
55.47598	0.5
57.03466	0.5
58.00579	0.8
59.01377	66.0
60.01720	0.9
61.23976	0.5
71.01379	12.8
71.39019	1.0
72.99273	0.6
73.02926	0.8
74.77760	0.5
75.41923	0.5
83.01399	1.0
83.18955	0.5
85.02955	3.3
87.00898	0.9
89.02438	13.0
95.01384	0.8
95.05052	0.6
96.96011	0.8
101.02437	8.2
101.03069	0.6
113.02451	6.0
114.82648	0.5
119.03503	4.4
143.03433	0.6
163.11275	38.9
164.11603	2.2
173.04536	0.8
173.06419	0.6
207.10187	1.1
209.11803	0.5
387.16586	100.0
388.16882	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	386.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67612	1.0
59.01376	10.6
61.98825	100.0
71.01351	1.2
71.10459	2.7
75.35861	1.1
80.71706	1.1
80.96553	1.3
82.03069	1.0
82.51042	1.1
101.02453	1.3
129.76361	1.1
146.03999	2.7
162.83887	7.3
183.01454	1.2
208.15089	1.2
223.13348	2.5
385.97113	2.7
387.14056	1.4
396.51822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82524	0.3
54.04562	0.2
55.76744	0.3
58.27656	0.2
59.01371	0.7
60.53900	0.3
61.98827	100.0
70.48740	0.3
70.67658	0.7
87.49347	0.3
93.03474	0.6
109.37894	0.2
116.07165	0.3
117.53909	0.3
120.93497	0.2
125.09749	0.4
137.02419	0.3
173.04604	0.4
191.05635	0.8
202.80377	0.3
225.11325	0.5
232.64142	0.3
242.66136	0.2
293.20877	0.3
305.17554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69047	1.6
56.26471	1.8
59.01374	10.4
61.98824	100.0
64.74101	1.7
71.19968	3.3
79.94215	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	386.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10550	0.4
59.01392	0.9
61.98827	100.0
67.90958	0.3
71.61533	0.5
74.12701	0.3
109.94260	0.4
161.02467	1.3
162.02818	1.3
163.03018	1.0
164.03276	0.4
194.88727	0.3
251.60834	0.4
323.13437	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	386.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63324	0.8
59.01367	3.4
59.39140	0.8
59.39410	0.9
61.98823	100.0
68.78440	0.9
70.67683	0.8
71.62911	1.3
79.95686	1.2
109.91450	0.7
119.67233	0.8
164.86809	0.8
173.04410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.9
61.98825	100.0
66.45436	0.7
68.88919	0.6
69.51443	1.7
69.51869	4.0
79.95734	3.5
80.96514	1.6
96.95993	4.6
117.76761	0.7
172.38695	0.7
206.57510	0.6
209.11623	0.7
381.45953	0.7
387.10202	1.1
387.14462	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2226
Annotation	Oleandolide
Peak:m/z	Relative Intensity
52.82338	0.9
59.01376	8.3
61.98519	1.0
61.98828	19.9
69.20131	0.7
69.26485	7.6
71.01365	1.7
75.08707	0.8
89.02430	1.7
91.03990	3.7
94.04190	0.8
96.95982	0.9
122.03713	1.6
125.02438	0.9
127.34115	0.8
135.64316	0.8
167.14452	4.7
191.05371	0.9
193.15938	2.2
207.17491	1.7
211.13281	1.5
223.20811	1.4
233.15508	0.9
249.18579	9.9
267.19614	100.0
268.19937	11.0
275.13779	1.3
275.16479	13.6
276.16754	1.5
293.12314	1.9
293.17557	72.6
294.17877	7.4
311.18594	14.2
367.21146	8.5
385.22244	75.9
386.22562	10.5
390.65955	0.8
409.48343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
57.33396	0.3
59.01093	0.6
59.01377	11.0
60.99302	0.5
67.01885	3.8
69.03444	1.2
70.28865	1.1
71.01375	2.9
80.12359	0.3
81.03440	0.8
83.05032	0.6
85.02946	0.5
93.03452	24.8
94.03790	0.5
101.02433	0.4
103.06599	0.3
108.78896	0.3
109.02935	0.9
109.91118	0.3
111.00864	0.9
111.04512	4.9
113.02483	0.5
115.20349	0.2
121.06570	2.1
137.02420	4.6
155.03494	4.5
168.54796	0.3
173.04530	100.0
174.04874	3.9
179.10748	0.4
179.71988	0.3
211.13370	8.9
212.13712	0.5
385.18628	9.6
386.19104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05154	0.3
51.21280	0.3
57.17722	0.3
59.01371	2.2
61.98826	100.0
64.47765	0.3
67.79778	0.3
71.62635	0.5
71.63039	0.4
72.98838	0.3
75.72162	0.3
88.25461	0.3
89.76736	0.4
104.68611	0.3
130.08731	4.4
164.15178	0.3
247.54564	0.3
322.20203	2.6
396.74969	0.3
401.60632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01705	1.5
62.33920	0.4
69.03460	0.5
69.38653	1.3
69.39082	2.5
71.01356	1.1
73.41786	0.4
85.02950	0.5
93.03431	0.9
96.95980	0.9
101.02482	0.9
102.98567	0.9
113.40843	0.5
124.86739	0.4
136.19449	0.4
137.02388	0.5
161.04581	0.7
169.15663	0.5
173.04564	3.4
179.10675	0.5
191.05579	1.0
255.14301	0.8
276.30917	0.4
326.07843	1.0
385.15125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86111	0.3
59.01376	100.0
60.01711	0.8
69.40547	1.2
69.40973	1.1
71.01383	0.7
73.02937	0.8
98.20631	0.5
101.02450	0.3
161.04694	0.3
173.04573	0.5
209.18069	0.3
225.51312	0.3
335.35016	0.3
366.95364	0.3
409.47473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45907	1.4
55.01857	1.4
57.03436	1.7
59.01375	100.0
61.98814	2.2
71.01380	14.8
71.62508	1.5
73.02943	2.3
75.00878	2.1
83.01399	1.5
85.02943	4.6
87.00884	2.6
89.02470	1.9
93.03441	10.3
95.01378	1.4
99.00887	1.7
101.02423	10.6
109.02924	1.3
111.04520	2.1
113.02446	2.7
121.10203	1.3
135.04561	1.6
135.11740	1.8
149.09706	2.3
155.60190	1.4
159.08130	1.4
161.04488	3.0
161.09708	4.4
173.04533	8.4
179.10760	9.2
191.05553	3.5
203.10802	8.8
204.11116	1.5
221.11755	3.2
223.09738	5.7
263.14944	13.6
299.18555	1.8
305.16061	3.3
309.99182	1.3
325.12936	3.5
326.32373	1.4
327.66910	1.6
385.18448	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80878	1.0
58.00610	1.6
59.01377	37.6
61.98813	5.7
70.74767	2.6
71.01379	19.5
71.85928	1.1
73.02941	16.7
83.01401	5.6
85.02946	6.3
87.00880	2.0
89.02440	6.3
93.03439	5.0
95.01357	1.6
99.00874	1.3
101.02439	18.8
106.06598	3.0
113.02434	6.3
119.03510	2.7
119.05009	3.9
121.02912	1.3
122.03725	7.6
125.02399	1.3
135.04431	1.9
137.02411	3.5
137.06050	3.8
143.03477	1.7
144.66626	1.2
146.04597	1.3
151.00362	1.5
153.09177	3.4
161.04584	5.3
163.07561	1.2
166.06326	2.0
171.10211	3.1
173.04575	7.2
181.08684	100.0
182.09087	6.7
191.05583	3.9
205.12280	2.0
211.09628	2.6
233.11659	1.2
285.48630	1.2
293.36322	1.1
308.46082	1.2
325.12799	5.3
341.12140	2.1
343.13745	4.2
382.49658	1.2
385.14880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98815	2.4
62.50665	1.5
71.62798	1.6
99.20627	2.0
215.12883	1.5
235.22034	1.6
293.45413	1.6
378.37839	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	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.4
61.98827	10.1
62.54041	0.9
71.01370	2.1
71.58054	1.6
75.00868	1.6
78.47420	0.9
85.02937	1.5
87.00869	65.4
88.01244	2.0
89.02428	1.7
93.03465	3.9
96.96011	2.6
108.02157	2.3
109.02944	100.0
110.03290	3.4
111.04542	0.8
121.02962	1.7
135.04515	30.0
136.01642	5.0
136.04897	1.0
151.00217	1.1
151.03978	10.0
153.01924	62.0
154.02284	1.8
161.02432	5.6
162.02731	1.1
173.04538	6.8
175.04019	0.9
179.03476	72.3
180.03799	4.1
191.05551	7.9
195.02954	2.1
205.01372	10.2
205.06099	1.3
211.06099	9.2
212.06450	0.9
223.02466	14.7
224.02776	1.0
243.58441	0.9
297.06174	4.6
315.07187	1.1
330.75455	0.8
383.04205	0.9
385.07452	2.3
385.11774	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	383.1377
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
57.36988	0.7
58.00583	1.3
59.01374	50.7
60.01691	0.6
60.02291	0.8
61.98817	2.9
71.00980	1.5
71.01378	27.7
72.99310	2.2
74.99090	0.8
77.18774	0.6
83.01357	1.1
85.02932	5.1
87.00867	7.2
89.02440	32.3
93.03472	1.0
95.01383	1.6
96.96033	0.9
101.02432	16.4
101.58823	0.7
113.02436	12.6
119.03490	14.6
131.03470	1.3
133.06908	1.3
135.04483	1.2
143.03465	1.9
148.70970	0.7
150.06871	1.6
160.04013	1.1
161.04445	1.1
173.04507	1.5
178.06357	1.9
179.03589	0.9
179.05573	1.8
180.14011	0.7
187.09560	0.9
191.05563	2.6
221.08315	1.2
261.13422	1.0
295.12271	5.5
383.13760	100.0
384.13965	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.4
69.75143	1.0
80.54471	0.3
86.29620	0.3
112.38566	0.2
117.03481	0.5
123.04530	0.5
133.02943	2.8
137.67152	0.3
161.02435	100.0
162.02779	5.7
165.69377	0.3
245.00754	0.3
285.02118	0.2
316.13757	0.3
375.94052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.73035	0.6
58.99598	1.6
59.01374	12.8
61.98823	27.5
71.01376	14.1
71.01783	0.8
71.02135	1.0
72.99310	1.0
73.02948	4.2
83.01385	2.2
85.02937	6.6
87.00868	38.3
87.02733	3.4
88.01216	0.9
89.02468	4.0
93.03455	4.4
95.01379	1.5
96.96019	1.5
99.00875	2.0
101.02435	8.1
113.02426	6.1
114.05444	0.7
115.05888	0.8
119.03506	1.2
123.04547	0.8
131.05350	2.4
133.06918	100.0
134.07294	3.5
135.04471	4.1
143.03436	1.0
150.03180	0.7
159.02960	1.5
161.04510	9.4
173.04544	5.4
177.01904	3.1
178.02316	1.3
179.02155	1.1
179.03476	3.1
191.05609	4.9
203.07423	4.1
221.08426	0.8
222.32002	0.8
235.11913	1.4
249.06110	28.9
250.06557	1.6
375.90775	0.7
383.09839	2.2
383.13745	50.3
384.14148	5.4
397.21652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01271	0.4
55.86459	0.4
58.24129	0.5
59.01373	1.9
65.38724	0.4
66.66570	0.4
71.01379	1.1
71.61909	0.7
83.05047	0.7
85.02945	8.3
86.03261	0.6
87.00863	2.3
87.44781	0.4
93.03453	3.4
101.02458	0.7
109.02944	0.5
111.04486	0.9
127.03038	0.5
127.03985	2.2
150.15361	0.5
168.99738	0.5
171.02950	0.7
173.04561	1.4
191.05594	100.0
192.05940	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	382.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01716	1.2
61.98844	0.9
72.49765	0.7
73.03002	0.6
84.84372	0.6
124.34432	0.6
131.23730	0.7
141.24942	0.6
322.27667	1.2
403.30927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0767
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01373	8.9
61.98801	2.9
70.59340	3.5
74.32333	1.3
90.98569	1.9
104.83889	1.3
121.02949	100.0
122.03268	5.8
126.52760	1.4
147.04523	2.9
149.02457	1.7
181.06587	4.5
189.11053	1.4
191.03525	12.1
225.05550	7.6
242.99663	1.8
251.07030	2.1
285.05670	2.9
291.19537	3.8
295.06046	13.7
309.20663	5.1
311.09277	11.7
313.07108	19.4
313.10495	2.7
314.07504	1.9
339.08707	18.5
340.08823	2.0
383.07727	34.9
383.12582	2.9
383.18091	2.4
384.07968	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	381.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.31889	1.1
66.51617	1.0
70.80020	1.2
70.83881	0.9
71.33276	2.2
78.95888	3.1
152.99574	7.9
157.01241	1.0
173.85779	0.9
174.99156	1.3
200.38474	1.0
217.00322	5.1
251.53354	1.1
291.19708	1.1
309.20639	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98827	0.8
67.30984	0.7
70.36915	0.7
70.77234	1.2
70.77596	1.4
72.96131	0.6
78.95900	2.1
81.46426	0.7
95.04266	0.7
135.21902	0.6
149.06010	0.9
151.07675	1.6
152.99593	4.0
170.05807	5.0
181.12366	0.7
192.11473	1.2
199.13391	1.8
217.00320	2.6
233.19188	1.9
235.20599	1.2
251.20166	3.1
277.18063	77.0
278.18436	7.7
279.19626	22.2
280.19897	1.6
283.00232	0.8
295.19110	100.0
296.19394	10.6
363.25363	17.8
364.25739	1.6
381.26425	6.5
382.27017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44036	0.5
53.68804	0.5
59.01371	4.7
61.98825	100.0
67.24035	0.6
71.00676	1.1
82.32233	0.5
93.03481	1.1
96.96004	0.9
101.02460	0.7
120.99684	1.7
129.10339	3.5
135.04527	0.6
147.04527	1.6
164.07210	2.2
171.11383	2.8
173.04610	1.7
191.05695	0.8
233.16637	1.6
258.20398	0.5
288.73135	0.6
319.16592	10.7
320.16840	1.3
362.63812	0.6
384.64383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01743	1.7
69.96554	5.5
69.96956	3.7
152.99539	3.0
160.54095	2.2
162.68781	1.7
200.24576	1.8
217.72617	2.1
233.05273	1.7
234.24805	1.6
320.45380	1.9
347.54773	1.9
403.58832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22906	0.5
57.44783	0.5
59.01373	100.0
60.01703	1.1
61.98829	4.9
71.01379	2.0
71.62694	0.9
78.95898	3.9
80.95008	0.5
87.00896	0.7
89.02454	0.9
96.96957	1.0
98.63970	0.6
101.02442	1.1
108.51015	0.7
145.44534	0.6
152.99573	7.0
173.04573	0.8
191.05588	0.7
230.92076	0.6
279.03433	0.5
279.14603	1.3
293.65036	0.6
378.36581	0.6
381.12860	0.9
397.68185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
59.96543	0.4
60.01712	1.5
61.98824	4.0
65.46803	0.3
67.01902	0.4
71.01379	2.8
71.20282	0.8
72.99323	0.8
73.02937	0.7
75.00864	1.1
79.95740	0.3
83.01382	0.4
85.02947	3.5
87.00877	1.4
89.02448	1.3
93.03437	2.1
95.01399	0.3
96.96014	0.5
101.02441	1.8
109.02942	0.6
113.02425	0.8
117.03499	0.4
119.03477	0.6
121.03017	0.4
127.04005	0.6
130.06555	0.3
132.04535	0.9
133.02997	0.4
135.04558	1.2
137.06091	0.9
145.02950	1.2
154.06203	0.5
155.03473	0.3
158.06100	3.7
161.02444	2.3
161.04559	0.7
163.03995	9.2
173.04529	2.3
177.01917	3.1
179.05624	0.4
181.05055	2.1
189.01892	4.4
191.05591	26.9
192.05949	1.1
197.41498	0.4
202.05060	1.6
207.03065	1.7
220.06163	1.3
251.92374	0.4
279.14642	0.7
292.22620	0.4
305.89670	0.3
321.15527	1.6
323.78223	0.4
343.10287	0.9
363.07321	1.5
381.08267	2.9
381.12695	0.9
381.18674	3.4
382.11447	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	379.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	79.5
54.31767	92.2
61.98814	98.5
71.62537	82.3
86.10509	82.1
94.45339	77.8
111.95762	79.3
115.88885	100.0
152.12881	92.2
152.74413	80.5
271.25296	85.8
286.64648	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.285
Annotation	Persin
Peak:m/z	Relative Intensity
69.24835	9.3
80.21144	0.9
80.88651	0.8
99.92578	1.8
112.65897	1.0
115.92091	1.2
116.92876	2.0
143.30623	1.1
197.34521	0.9
212.72272	0.9
216.32712	0.9
347.25882	6.6
379.28479	100.0
380.28775	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	380.1553
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
55.01871	1.0
58.00583	0.9
59.01087	1.9
59.01377	31.9
61.46543	1.0
61.98833	11.3
70.78228	1.0
71.01380	32.3
71.05023	5.1
71.62436	1.2
72.99293	2.7
73.02962	2.0
75.00877	1.4
79.81921	1.1
83.01369	1.7
85.02944	3.7
87.00832	2.5
88.04040	4.5
89.02441	11.6
93.03465	1.9
93.88934	1.1
95.01382	1.3
96.96007	5.4
96.96937	1.2
99.04514	2.5
101.02438	9.4
113.02450	4.7
119.03482	2.7
120.99652	2.3
128.03564	1.1
128.07195	1.9
135.04509	2.4
136.04791	3.0
137.02411	2.7
138.06451	1.2
146.08223	54.0
154.91856	1.9
161.02419	1.1
161.04559	2.6
163.03983	3.9
173.04521	2.1
176.90190	1.0
180.03557	5.1
181.05083	2.2
182.03050	1.5
183.06572	1.4
189.01942	1.0
191.05603	7.9
200.09329	1.4
204.42957	1.0
207.02867	1.2
219.12564	1.2
286.07260	3.0
289.69580	0.9
308.13498	4.0
321.15662	1.8
342.08594	1.8
343.10065	1.1
362.14380	2.1
363.07391	1.5
380.15567	100.0
381.08096	2.0
381.16019	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2253
Annotation	CHEBI:78135
Peak:m/z	Relative Intensity
59.01374	12.2
61.98822	2.9
69.55220	14.6
71.01380	2.0
78.95918	2.3
79.03107	2.0
87.00868	2.1
96.96001	100.0
98.19775	3.2
106.33401	1.8
108.93724	2.0
121.10229	3.9
135.04510	2.0
142.24475	1.8
152.99547	3.9
154.02588	1.9
171.10260	33.2
172.10580	2.9
191.05600	5.4
305.17462	3.8
313.48318	1.9
343.24832	95.3
344.25204	12.4
379.21555	53.0
380.21759	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	379.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.7
59.01373	18.1
61.98822	6.2
71.05016	6.6
71.10325	3.7
71.10643	4.6
95.05019	4.8
96.96006	78.4
152.99571	4.4
165.09235	3.7
171.10248	38.4
173.04587	3.5
191.05562	8.6
213.08980	4.3
249.14812	3.1
287.16376	12.9
305.17548	30.1
306.17877	4.2
343.24823	100.0
344.25201	10.9
379.21686	38.6
398.54861	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	379.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46962	0.3
58.00601	0.5
59.01377	100.0
60.01709	1.3
60.97282	0.4
61.98822	1.9
71.01378	10.8
72.22116	0.3
72.99309	0.8
73.02942	3.3
78.95905	0.5
83.01378	2.0
85.02950	3.2
87.00856	0.7
89.02442	7.4
93.03424	0.7
95.01404	0.5
96.96001	0.9
99.00893	1.1
101.02434	8.4
111.00915	0.5
113.02428	4.9
119.03543	1.9
131.03528	2.6
135.04520	1.0
140.15955	0.4
149.04539	4.0
152.99548	0.5
154.01469	1.9
155.10805	0.6
157.08730	0.7
158.93443	0.4
159.02995	0.7
161.04558	2.5
173.04608	0.9
174.03247	0.7
175.13411	1.4
179.05569	0.9
181.08621	1.8
191.05588	2.2
199.09778	0.9
217.10789	1.1
221.43353	0.4
277.12946	1.1
285.08847	0.4
303.09946	0.6
316.06693	0.4
319.13931	1.3
319.17682	5.0
337.18665	4.0
341.11044	1.0
360.66272	0.4
378.47421	0.4
379.07892	0.9
379.16483	2.1
379.23373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01715	1.5
65.86006	0.4
69.29008	1.0
69.29419	3.3
78.95900	0.4
80.79639	0.4
87.37255	0.4
100.77772	0.5
101.02467	0.5
108.55554	0.4
119.94774	0.4
225.90373	0.4
253.14543	0.7
287.16531	0.5
341.19812	1.0
379.21609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99559	0.4
59.01376	100.0
60.01717	1.1
68.82811	0.4
71.01388	0.7
77.47981	0.3
93.03461	0.7
96.96014	6.8
96.96973	0.4
99.75315	0.4
119.05049	0.7
135.04555	0.5
141.01915	0.4
142.79051	0.4
162.58356	0.4
173.04532	1.0
191.05708	0.5
199.07327	0.5
228.85268	0.4
229.34283	0.5
333.07700	0.6
343.21304	1.4
379.08450	1.4
396.52341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00555	0.4
54.10032	0.4
58.03918	0.4
59.01372	1.2
61.98826	100.0
71.63348	0.7
76.86916	0.4
82.69553	0.4
100.72829	0.4
134.79709	0.4
144.75195	0.4
177.74307	0.4
240.02522	0.4
283.97318	0.4
293.21500	0.4
307.22617	0.6
356.54666	0.5
359.97571	0.4
378.18900	7.4
379.19171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01376	37.1
61.98803	1.3
65.99829	1.4
69.03458	0.8
71.01375	6.5
73.01154	0.7
73.02943	1.4
75.00899	0.8
82.02979	7.9
83.01369	2.7
85.02915	1.4
87.00899	0.9
89.02430	5.0
90.38036	0.6
93.03439	1.8
94.02967	1.5
101.02402	3.8
105.90341	0.8
108.04544	0.9
110.02471	0.9
111.04543	0.7
111.98418	0.8
113.02448	1.8
119.03484	1.0
119.26779	0.7
122.06082	1.1
135.04543	0.8
136.04034	8.7
138.81374	0.7
141.11078	0.7
146.06119	1.0
149.04512	2.0
152.02603	0.7
152.03551	6.9
152.99622	1.1
155.10748	3.3
158.06075	1.6
161.04611	1.0
170.06067	1.1
171.10220	3.1
173.04500	1.0
174.05664	3.8
174.06903	0.7
176.03476	0.8
176.07059	1.5
179.03304	1.0
180.02870	0.8
186.04268	3.0
187.13428	4.7
191.05524	2.0
199.09686	0.8
200.07213	1.1
201.06642	9.0
202.05080	1.8
202.06870	0.8
211.05185	0.8
212.05588	5.6
214.05115	1.1
215.08249	1.3
217.10895	7.1
217.14479	1.3
225.06706	1.5
226.05151	0.8
226.07336	0.9
227.04482	1.3
228.05353	2.2
229.06102	4.0
241.06087	2.3
242.06570	0.6
242.08127	4.5
243.07701	9.4
247.07233	3.9
255.04019	2.5
257.05606	2.2
257.09216	3.3
259.11249	0.9
267.07724	2.6
269.05612	4.4
270.06436	18.6
271.06842	1.0
285.08774	100.0
286.09119	11.0
287.06702	8.8
288.06927	0.9
291.12589	0.9
301.08249	1.3
302.08981	1.1
307.09244	1.0
317.11368	33.3
318.11783	3.9
319.14243	0.8
319.17581	3.9
329.07703	1.5
334.68671	0.7
335.12302	1.9
361.10446	3.0
379.11368	8.1
379.15793	6.2
379.20068	5.5
380.11716	1.4
380.20151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	1.7
61.98814	0.7
71.01376	3.3
71.46841	0.5
73.02950	1.0
74.02500	0.8
76.96062	0.4
83.01396	1.0
85.02956	2.3
89.02433	0.8
93.03446	0.6
99.00896	0.4
101.02444	2.0
105.16974	0.4
111.00850	0.4
113.02465	1.2
120.99641	0.4
123.22362	0.4
129.10420	0.6
137.02521	0.5
143.03415	0.5
161.04594	0.7
171.10240	0.8
173.04527	1.7
178.67902	0.5
191.05669	1.1
209.11806	0.5
230.48341	0.4
335.20721	2.6
341.10861	1.7
377.08737	0.7
377.19351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76931	0.7
59.01089	1.4
59.01377	21.8
67.42879	0.7
68.82303	0.7
71.20492	1.3
73.51369	0.9
95.05050	1.1
99.08153	0.8
118.95268	0.9
121.10356	0.8
127.11275	1.2
131.80600	0.7
132.88451	0.8
141.12849	1.3
151.11266	1.8
159.01569	0.9
171.10248	36.8
172.10585	1.9
191.06932	1.2
193.08586	0.9
209.08081	1.3
249.22246	1.1
277.21695	41.4
278.22052	4.8
295.22742	100.0
296.23117	11.3
299.19846	1.3
317.20905	31.8
318.21301	2.5
333.22769	1.0
335.20813	1.7
357.43274	0.9
361.20126	4.4
362.20471	1.0
377.22858	30.9
378.22885	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	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	1.7
61.98814	0.7
71.01376	3.3
71.46841	0.5
73.02950	1.0
74.02500	0.8
76.96062	0.4
83.01396	1.0
85.02956	2.3
89.02433	0.8
93.03446	0.6
99.00896	0.4
101.02444	2.0
105.16974	0.4
111.00850	0.4
113.02465	1.2
120.99641	0.4
123.22362	0.4
129.10420	0.6
137.02521	0.5
143.03415	0.5
161.04594	0.7
171.10240	0.8
173.04527	1.7
178.67902	0.5
191.05669	1.1
209.11806	0.5
230.48341	0.4
335.20721	2.6
341.10861	1.7
377.08737	0.7
377.19351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39349	0.4
55.01888	0.5
55.02652	0.4
59.01376	100.0
60.01702	1.3
61.66868	0.3
68.30788	0.4
71.01377	4.7
71.39727	0.7
72.99330	0.3
73.02946	1.6
83.01385	1.5
84.37666	0.4
85.02935	2.3
89.02468	0.8
92.99641	0.5
99.00904	0.7
101.02425	3.9
113.02429	2.3
119.05047	0.4
144.34146	0.3
161.04578	1.5
267.55142	0.3
270.97168	0.4
302.03134	0.4
335.20734	5.2
336.21301	0.4
338.48190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57189	17.0
52.81552	15.1
59.01373	100.0
61.98817	57.5
64.85594	14.9
71.01384	26.4
71.63184	19.0
83.21125	18.1
95.86028	17.8
202.78654	17.4
219.97745	24.5
225.66824	17.5
261.00436	15.4
341.10666	28.3
377.08218	18.5
388.97473	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	377.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
61.98819	0.4
64.29496	0.3
67.29254	0.3
71.01380	0.9
71.32980	0.5
71.33311	0.5
85.02910	0.5
89.02431	0.6
93.03481	0.5
101.02485	0.4
107.05005	1.5
113.02424	0.7
121.02982	1.6
123.04477	0.6
129.11751	0.4
134.03725	1.5
134.64841	0.3
135.04515	100.0
136.04852	4.5
151.04008	5.2
173.04512	0.5
179.03484	27.5
180.03810	1.5
190.91965	0.3
191.05652	0.4
215.03264	0.7
221.98419	0.4
273.65555	0.3
297.09760	0.4
313.09320	1.2
341.08618	22.2
342.08960	2.1
377.05963	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	377.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99600	10.1
59.01377	100.0
61.98828	3.4
69.31052	13.4
69.31461	4.4
71.01392	10.0
73.02960	2.7
85.02950	4.6
87.04507	2.9
89.02450	3.0
96.95970	1.9
101.02429	5.1
102.98590	66.2
112.04705	1.9
113.02451	3.2
119.15156	1.5
120.99662	8.8
147.78891	2.1
161.04550	3.4
163.00639	7.6
173.04581	3.8
190.05794	1.7
191.05644	2.3
209.11739	2.3
220.68445	1.9
329.69867	1.8
335.20691	5.8
341.10858	7.0
359.14786	1.9
376.27808	6.7
377.08279	5.4
377.28012	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	375.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	3.6
59.01374	50.8
61.98827	2.1
69.26749	15.9
78.95865	2.0
95.05025	2.6
115.03838	1.8
119.79158	1.8
121.10239	34.2
122.10651	1.8
162.67545	2.0
171.10248	69.4
172.10645	5.1
176.20261	2.0
185.11784	2.8
207.10060	2.6
231.21103	5.3
275.20120	100.0
276.20447	13.0
278.11343	6.1
279.11697	2.2
293.21194	99.2
294.21527	7.8
315.19366	50.7
316.19681	6.8
329.17218	2.7
359.18362	9.4
375.21436	46.6
376.21658	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63647	0.4
59.01374	100.0
60.01706	1.3
60.36777	0.5
61.98840	0.4
62.15708	0.4
63.10851	0.4
69.26746	1.9
69.27171	2.8
71.01376	3.4
73.15322	0.5
85.02954	1.5
89.02438	0.9
95.05096	0.6
98.19891	1.0
101.02457	1.8
109.06625	0.8
113.02460	1.1
123.08158	0.7
125.09714	1.4
137.06000	0.6
140.60672	0.5
151.07706	0.7
161.04558	2.9
167.07167	1.4
171.02126	1.5
171.10216	0.7
201.11331	1.2
215.12910	1.6
217.00278	1.4
227.01846	0.5
285.15054	0.7
303.16046	1.6
315.18036	1.1
321.17062	2.4
324.36911	0.5
339.18112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37996	0.3
59.01376	100.0
60.01709	1.2
61.98832	0.4
62.33723	0.4
69.29498	0.9
69.29898	3.2
71.01389	2.5
72.99245	0.4
73.02954	0.6
85.02951	1.2
89.02439	0.8
93.34348	0.4
99.00901	0.4
101.02452	1.5
102.14839	0.4
111.52390	0.4
113.02468	1.2
161.04521	2.9
162.06898	0.5
174.99229	0.5
217.00362	1.5
268.57910	0.4
307.91687	0.4
315.18250	1.6
321.17184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65469	0.2
55.01885	0.7
57.03447	0.7
57.05120	0.3
58.00594	1.7
59.01378	44.6
62.26933	0.3
62.27274	0.3
70.37574	0.8
71.01380	22.8
72.01717	0.4
72.99309	1.7
73.02954	1.4
83.01384	2.1
84.29117	0.3
85.02946	5.8
87.00890	0.7
89.02440	19.7
95.01389	2.1
96.13911	0.2
99.00880	0.5
101.02435	13.3
102.02785	0.3
113.02441	8.3
119.03503	5.9
143.03447	0.3
154.20903	0.3
162.53432	0.3
173.72333	0.3
183.13826	0.6
195.13876	9.4
196.14235	0.7
213.14952	3.8
214.15492	0.4
259.33252	0.3
317.45599	0.3
357.19028	0.5
363.49149	0.3
375.20193	100.0
376.20541	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	375.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88257	0.6
70.52387	1.7
70.96106	0.6
74.99076	2.4
80.10775	0.6
81.95122	0.6
107.39732	0.6
143.05359	1.0
149.00926	0.8
159.08473	10.6
160.80176	0.7
161.06364	2.2
167.91734	0.8
209.01260	2.4
216.01230	0.7
217.07184	1.3
233.11090	0.7
234.91862	0.7
252.02252	0.6
275.05960	0.7
277.07541	2.1
289.07510	1.4
291.09076	100.0
292.09180	12.2
301.34583	0.6
305.82605	0.6
357.13699	2.0
359.15311	99.6
360.15457	18.3
375.18430	9.8
376.18634	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17710	0.3
55.01880	0.7
57.03432	0.4
59.01377	100.0
60.01699	1.7
60.88658	0.3
63.96249	0.4
64.54704	0.3
67.85072	0.3
71.01383	4.6
71.05020	0.4
71.63663	0.4
72.99297	0.5
73.02933	2.4
74.99103	0.9
83.01402	1.1
85.02944	3.3
87.00874	0.6
89.02445	1.1
93.03453	0.5
93.82468	0.3
95.01416	0.5
96.09471	0.3
99.00916	0.5
101.02434	4.0
113.02425	1.6
120.99657	1.2
126.99548	0.3
135.98416	0.4
136.99152	0.7
145.93810	0.4
155.00543	0.3
161.04582	1.5
173.04573	1.2
189.60973	0.3
191.05612	0.7
255.16083	1.1
315.18311	0.5
333.19135	5.2
333.22742	0.4
334.19656	0.6
375.14764	0.8
375.18869	1.9
375.24164	0.3
375.72098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97378	0.5
70.89895	1.4
74.99059	2.5
80.61352	0.7
93.00134	1.1
141.07474	0.5
159.08443	9.3
160.08617	0.6
161.06322	2.7
186.77208	0.5
209.01253	1.7
217.07253	0.7
252.00397	0.6
277.07443	2.9
289.07523	2.5
291.09070	98.9
292.09222	13.1
309.10333	1.0
357.13788	1.7
358.13644	0.6
359.15298	100.0
360.15466	16.4
375.18423	10.2
376.18521	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	375.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.5
61.98854	0.9
62.00546	0.5
62.32062	0.5
69.29836	5.3
71.01381	9.7
80.91663	2.7
98.20644	1.1
118.09369	0.6
121.39365	0.7
127.07644	1.2
129.13380	0.6
148.05296	0.6
151.07602	1.0
164.08409	1.0
174.99242	3.4
177.09186	3.1
190.09975	1.7
191.10541	0.7
192.11531	7.9
193.11909	0.7
205.12337	3.3
207.13843	1.1
217.00296	12.1
218.09412	1.7
220.14661	38.0
221.15433	100.0
222.15784	6.9
235.13313	1.2
235.29588	0.6
236.10501	86.8
237.10901	6.1
264.08542	0.9
275.16354	0.8
293.17557	47.6
294.17944	4.8
295.39069	0.6
318.09512	3.9
321.15308	1.4
335.13367	1.3
357.17181	0.7
374.98862	1.0
375.17941	12.7
376.17914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10453	0.8
53.31228	1.0
55.01865	2.4
57.03442	1.4
58.00587	4.1
59.01372	100.0
59.67978	0.9
60.01701	1.8
61.98823	1.9
66.36001	0.8
69.04456	1.0
69.71712	5.0
71.01374	57.6
72.99311	4.6
73.02944	7.3
74.99088	3.1
83.01363	5.8
85.02943	15.6
87.00849	4.8
89.02436	56.5
93.03447	4.7
95.01388	4.4
98.19840	1.0
99.00891	1.8
101.02433	45.3
102.02782	1.1
102.05631	0.9
111.04539	0.8
113.02428	20.1
114.02801	1.0
119.03493	28.2
125.02407	1.1
125.73738	0.8
131.03479	3.1
135.04543	1.5
136.99110	2.8
143.03491	3.8
146.04610	1.8
149.02472	4.0
149.04504	1.6
150.03127	2.6
151.11182	1.2
159.03094	1.0
161.04575	6.0
163.04012	1.1
164.04631	0.8
165.05489	2.1
173.04535	11.2
177.09186	1.5
179.05536	5.9
191.05597	3.1
195.10249	1.1
201.11267	2.6
213.11276	1.0
312.10046	1.3
315.14606	1.0
327.12543	2.1
331.17648	1.8
333.15701	1.1
357.15384	8.1
358.15753	1.4
375.16541	81.5
376.16934	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	374.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99924	1.4
59.01376	100.0
60.01721	1.6
61.98834	4.1
70.85335	1.9
70.85659	2.7
84.95119	1.7
86.34782	1.3
96.96027	1.8
133.95187	1.5
174.99202	5.0
217.00264	20.7
221.89896	1.6
314.27048	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	375.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
58.00576	0.8
59.01377	30.2
61.98809	0.5
64.01896	0.4
67.01879	0.6
69.03436	0.6
69.65867	2.7
71.01376	13.3
71.05023	0.5
72.01684	0.5
72.99290	1.4
73.02943	1.1
74.00370	0.8
74.99087	2.3
83.01379	1.1
85.02944	4.5
87.00861	1.2
89.02431	8.1
93.03446	2.7
95.01379	1.6
99.00904	0.5
101.02435	6.5
102.05608	4.1
102.98602	0.7
103.05920	1.2
108.02137	0.8
109.02940	1.6
111.04509	0.7
113.02427	4.3
119.03535	2.3
119.05109	0.4
120.99670	0.9
121.02931	0.6
123.00905	0.7
128.03545	2.8
128.84370	0.4
129.03845	0.5
132.02187	0.4
136.99149	2.9
137.02446	3.8
138.01976	0.7
139.07690	0.5
143.03508	0.4
146.04588	9.1
147.04910	2.9
149.02431	1.0
150.01985	0.7
150.03191	0.6
151.11234	0.7
153.00606	0.9
158.06219	0.4
161.04474	0.7
162.05588	1.0
166.01416	1.2
167.02196	2.4
173.04558	6.2
180.01704	2.0
182.00856	0.9
183.00424	1.9
191.05531	2.1
195.00504	1.4
195.06566	0.8
195.10281	1.1
196.01233	13.8
197.02022	23.0
198.02328	1.0
201.11302	1.4
210.99945	1.1
213.01517	24.0
214.01790	0.8
225.01529	0.7
226.12794	0.5
228.00183	5.4
233.63986	0.4
237.01480	0.9
255.02559	5.1
255.08797	1.0
259.07123	0.5
267.02606	1.6
285.03540	0.8
287.10431	0.7
300.08786	0.8
315.04626	2.0
327.12354	0.6
341.12161	0.6
375.06760	100.0
376.07007	10.2
376.11191	0.6
376.14755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.1
61.98825	100.0
71.20026	1.1
71.30306	0.8
77.26862	0.8
78.95908	1.0
93.89136	0.8
102.14158	0.7
104.81879	0.7
148.76607	0.8
217.00241	6.4
218.78658	0.7
235.17039	2.9
275.20212	2.6
293.21152	4.7
315.19189	4.3
375.20746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.1
61.98825	100.0
66.50429	0.7
69.40440	2.0
69.40845	5.0
77.98498	0.8
96.96010	2.1
104.81761	0.8
174.99202	1.7
217.00313	11.5
314.26767	1.0
321.01099	0.8
370.93735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13795	1.0
59.01369	15.5
61.98825	100.0
69.70107	2.6
69.70528	4.3
85.34643	0.9
174.99193	2.7
177.87354	1.2
217.00258	11.9
274.32971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.2
61.98825	100.0
71.62978	1.6
79.44634	0.9
100.20372	1.1
174.99297	1.5
182.00775	1.1
192.41560	1.0
217.00307	7.1
275.20242	1.1
293.21039	1.9
375.21356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	17.8
60.61898	1.9
61.98824	100.0
71.62880	1.8
75.10960	1.7
83.74567	1.7
85.33212	1.6
118.15367	1.9
174.99231	3.8
197.62424	1.9
205.98453	1.8
217.00255	10.9
274.26215	2.0
284.59683	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	374.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01376	6.3
60.88732	0.3
61.98820	0.9
63.74504	0.3
67.57807	0.3
71.01392	2.4
71.62664	0.3
71.63094	0.4
73.02930	0.6
74.99095	1.0
84.04556	0.5
85.02940	1.2
87.00864	0.5
89.02442	1.4
93.03440	1.9
101.02435	1.8
102.05600	31.8
102.98556	0.3
103.05948	0.7
111.04508	0.4
113.02419	0.9
119.03473	0.6
120.99650	0.4
127.42931	0.3
128.03529	27.8
129.03877	0.7
136.99115	1.0
137.02446	0.6
146.04582	100.0
147.04955	2.5
149.02423	0.4
155.03526	0.5
161.04530	0.4
165.02051	0.3
173.04514	3.8
174.04762	0.3
179.96405	0.3
191.05627	1.5
192.05988	0.3
195.06544	0.3
196.01227	1.1
197.02011	1.7
201.11285	0.4
209.11731	0.4
213.01482	1.6
228.00279	0.4
244.80573	0.3
255.02599	0.4
262.97134	0.3
309.07886	0.4
333.15991	0.3
356.17062	0.7
374.18155	1.9
375.06750	7.4
375.11230	0.6
375.16470	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	373.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01373	16.0
69.34291	3.6
69.34723	1.6
92.63462	0.5
93.03458	1.0
93.07072	2.0
97.06590	1.8
98.20626	1.2
119.08598	0.7
121.06524	0.6
121.10224	15.6
123.08156	1.0
125.09707	5.7
130.26173	0.6
141.12849	0.6
147.08101	1.7
163.11290	0.7
165.12741	0.7
185.11803	10.7
186.12157	0.8
197.11775	3.6
207.10014	4.0
209.11835	1.4
211.13371	1.7
217.15892	0.8
223.13403	1.1
245.19019	6.9
246.19475	0.8
291.19623	56.2
292.19965	5.6
295.16702	1.1
297.22272	1.1
311.16162	0.9
313.17810	100.0
314.14841	0.8
314.18173	9.6
332.50848	0.6
355.22830	0.9
362.28665	0.6
373.18988	1.2
373.23743	1.7
373.27655	1.1
386.35486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2743
Annotation	3b-Hydroxy-5-cholenoic acid
Peak:m/z	Relative Intensity
50.02844	0.2
61.47360	0.3
65.11363	0.3
65.51978	0.2
66.68120	0.3
69.95522	1.3
84.17397	0.3
98.65849	0.3
105.03431	0.5
116.08234	0.3
117.03458	28.6
118.04324	0.7
119.05019	16.3
120.05336	0.6
121.02946	8.3
123.04501	3.1
133.02960	2.0
134.03734	1.0
145.02939	48.4
146.03285	1.8
162.03191	2.6
163.03998	6.6
164.23759	0.3
174.41814	0.3
214.43106	0.3
220.59549	0.3
373.27432	100.0
374.27759	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	373.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27147	0.7
59.01093	0.7
59.01376	14.6
61.98832	0.4
68.07558	0.5
71.19644	0.9
75.40273	0.5
80.02672	0.6
93.03468	2.6
95.09778	0.6
110.12109	0.5
113.06054	0.7
117.92928	0.5
119.04948	0.5
125.06076	0.6
132.90309	0.5
148.08919	0.9
150.10501	1.4
163.11198	0.7
165.12823	24.1
166.13162	2.1
174.87306	0.5
175.11270	0.8
176.11998	0.9
177.12798	0.7
191.14449	1.2
217.16023	0.8
227.80943	0.5
244.10838	4.6
245.11064	0.5
247.20648	9.8
248.20903	1.1
273.18585	6.3
274.18872	0.7
291.19626	100.0
292.19962	11.3
313.17841	14.2
314.18137	1.5
373.19949	15.0
374.20227	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.31843	0.6
55.01874	0.9
57.59545	0.6
59.01376	100.0
60.01713	1.7
69.46156	5.8
71.01374	6.2
73.02943	2.8
83.01395	0.8
85.02956	3.4
89.02466	0.8
93.03478	0.8
96.96012	1.1
99.00876	1.1
101.02443	3.6
113.02423	3.2
161.04591	3.7
161.05730	0.7
173.04596	2.4
225.14949	2.6
259.38474	0.7
331.17633	3.5
373.18552	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	373.1863
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01880	0.4
59.01375	100.0
60.01715	1.2
65.77643	0.2
70.10539	0.3
70.13577	1.3
71.01379	5.4
72.99345	0.3
73.02946	1.8
83.01402	0.8
85.02936	1.9
89.02438	2.8
93.03433	0.5
95.01426	0.5
99.00877	0.6
101.02447	3.3
113.02435	2.3
119.03513	1.1
143.03453	0.4
151.00383	0.4
159.03011	0.4
161.04520	1.6
169.89737	0.3
173.04573	1.2
178.99933	0.6
245.12941	0.3
247.02657	0.4
249.81174	0.3
331.17618	0.8
345.85330	0.3
359.32248	0.3
373.18661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88631	0.4
54.72186	0.4
55.01869	0.4
58.00597	0.9
58.73196	0.4
59.01374	100.0
59.62837	0.4
60.01718	1.2
69.03451	0.5
69.44733	1.0
69.45144	2.1
71.01373	9.0
72.99319	0.5
73.02940	6.9
79.89969	0.5
83.01377	2.1
85.02954	2.2
87.00875	0.4
89.02437	4.6
89.49785	0.4
93.03470	1.7
95.01368	0.6
101.02429	6.9
113.02463	3.9
119.03505	1.4
120.99678	0.5
125.02455	0.5
149.04576	0.6
155.10854	0.5
161.04579	1.4
173.04579	1.6
179.05615	0.5
191.05577	2.2
282.06409	0.7
297.08881	0.5
300.81525	0.4
329.11627	0.8
373.14532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	63.3
59.43919	10.4
59.99363	11.1
61.98828	39.8
69.04276	11.8
69.89672	11.9
69.99175	39.5
69.99589	20.8
71.05028	26.1
75.18136	12.0
80.45798	10.7
87.40360	11.1
98.19964	23.5
124.64520	12.4
230.28735	12.6
291.19672	37.8
313.17828	100.0
314.18121	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	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01375	100.0
60.01702	1.0
67.01883	2.7
69.03451	1.0
69.42343	3.7
71.01389	8.4
73.02944	2.3
85.02953	1.9
89.02433	4.4
93.03452	18.7
101.02441	4.0
111.00889	0.9
111.04494	3.6
113.02473	2.2
119.03487	2.1
137.02432	3.1
137.09773	0.8
145.01019	0.5
155.03484	2.9
155.10765	13.2
156.11049	0.8
161.04506	0.5
173.04533	68.9
174.04868	2.7
179.05701	0.9
199.09740	9.8
199.11305	0.7
348.71277	0.7
373.14990	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	373.1136
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
57.15731	0.5
59.01374	3.2
59.21458	0.6
61.98794	1.4
62.38165	0.6
63.11596	0.6
71.01376	1.8
71.24334	1.1
71.24680	0.9
72.99300	21.3
73.02960	0.7
74.02464	0.9
75.00864	1.4
85.02949	1.3
89.02424	1.1
89.03946	0.6
93.03463	1.2
96.95984	0.9
98.00409	0.7
99.52180	0.6
101.02428	0.8
107.04991	1.9
108.02161	8.2
109.02921	2.1
111.08165	0.7
121.02934	1.4
122.03728	1.9
123.04523	7.8
128.03523	0.7
134.03726	34.7
135.04041	1.5
136.01659	0.8
137.02444	3.9
139.03992	1.1
149.02394	2.1
149.06068	9.1
150.03224	12.2
151.04030	3.5
152.04782	2.0
152.57484	0.6
165.05551	14.3
166.05881	0.7
173.04510	2.3
178.02698	9.3
191.05539	1.4
193.05029	33.2
194.05363	2.6
196.03801	1.0
211.06088	100.0
212.06436	6.7
216.34283	0.6
241.11765	0.7
255.07687	0.7
268.71249	0.6
355.16232	1.2
373.11340	55.8
374.11664	5.8
374.15656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.2
61.44851	0.4
67.01893	0.5
69.65316	3.1
71.01388	1.5
73.02950	2.2
78.95910	0.6
83.05030	1.6
85.02955	1.1
87.00886	0.6
87.28522	0.4
93.03452	4.9
98.19885	1.0
101.02421	0.6
106.59832	0.4
111.04514	3.5
123.02770	0.5
127.04016	0.8
135.08148	1.1
137.02426	1.2
137.09694	6.1
153.01944	0.7
155.03519	3.7
155.10767	100.0
156.11102	5.2
173.04530	15.1
181.08713	0.8
191.05589	2.0
199.09737	74.6
200.10094	4.4
203.28654	0.4
373.14966	24.0
374.15283	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.4
60.64873	2.8
61.98830	100.0
70.20640	10.6
117.51471	2.8
167.37784	2.8
215.12668	3.3
290.20670	3.1
359.71634	2.8
372.14981	4.2
385.55014	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	373.1135
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03402	1.1
59.01374	19.1
61.98812	1.7
70.05097	2.9
71.01384	6.2
73.00086	1.0
73.02903	0.9
83.01386	1.3
85.02972	1.8
87.00871	2.4
89.02434	3.0
93.03422	1.9
96.96010	1.0
101.02441	3.6
109.02950	1.2
113.02425	2.2
118.97998	0.9
119.03445	0.9
119.08672	1.5
123.00889	1.2
123.04516	3.1
124.01643	2.9
125.02427	2.0
136.01643	3.4
137.02409	6.8
137.09669	1.6
138.03189	3.3
139.04031	4.4
150.03149	2.3
150.05556	0.9
150.34747	0.8
151.03995	13.3
151.07590	1.6
152.04782	100.0
153.01872	2.2
153.05504	10.6
154.02693	1.9
155.03508	1.2
161.04585	0.9
163.00392	1.1
165.01883	2.2
165.05510	1.2
166.02740	1.4
167.03465	1.9
167.07108	15.7
173.04541	5.4
177.01886	3.3
178.02734	5.3
179.03392	2.1
179.05643	0.9
180.00645	12.2
180.04182	2.4
181.01407	3.4
181.05090	1.4
181.08603	1.1
182.02095	1.5
191.05592	2.4
193.05057	11.0
195.01195	0.9
195.02979	24.4
196.03732	26.7
197.04317	2.5
199.09706	4.8
211.06104	96.8
212.06494	6.3
225.03922	1.2
260.07578	0.9
314.10135	1.3
314.35638	1.0
358.09122	4.1
373.11319	87.8
374.07339	1.6
374.11572	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	372.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46919	1.1
61.98826	100.0
62.62630	1.2
67.42837	1.2
69.43589	9.7
74.46927	1.3
75.11771	1.2
92.77095	1.2
98.20691	1.9
124.18871	1.2
147.15176	1.2
180.64865	1.2
289.47092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27633	0.5
57.38631	0.4
59.01366	0.8
61.98824	100.0
66.43395	0.4
69.56425	3.4
83.01406	1.0
150.88771	0.5
152.97379	0.4
349.09576	0.5
372.15222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14078	1.0
54.40275	0.9
59.01380	4.3
59.01632	0.9
61.98825	100.0
69.55476	1.6
69.55882	5.1
76.71560	1.1
83.01402	1.1
93.93884	1.0
172.61389	1.1
185.76039	0.8
186.39732	0.9
203.07693	1.0
265.40231	1.0
269.62137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.4
61.98828	100.0
72.29282	1.2
83.01373	4.5
159.81564	1.3
195.06578	1.8
291.02765	1.3
365.68997	1.5
372.15164	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01720	0.7
60.06983	0.6
61.98834	1.8
65.44244	0.7
66.70479	0.7
67.01878	1.0
67.90216	0.7
69.67129	5.0
71.01387	3.5
72.99311	3.3
73.02937	1.1
75.00876	0.7
83.01382	5.5
85.02947	1.2
87.00867	1.4
89.02434	2.0
90.59814	0.7
93.03451	6.2
96.04523	0.7
96.96019	1.5
98.19890	1.7
103.05521	0.8
111.08145	1.4
113.02460	1.1
119.03445	0.9
121.02950	2.1
127.05141	0.8
128.03479	1.1
130.04245	10.3
131.05023	41.9
132.05357	2.3
136.01678	0.9
136.05334	1.5
137.02414	3.2
145.06187	1.1
149.06068	99.9
150.00160	1.0
150.03247	1.1
150.06430	4.7
151.03969	1.8
155.03517	0.9
155.07115	1.6
161.04561	0.9
164.08409	0.9
165.05547	1.5
168.04291	0.8
173.04527	16.9
174.04773	0.8
176.52742	0.7
179.05649	1.4
190.99883	1.3
191.05559	1.4
197.04468	0.9
311.07623	1.7
371.10211	0.8
371.14752	3.2
371.22815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03447	5.4
59.01377	54.9
64.27781	0.7
65.00330	1.4
67.01889	1.8
69.03441	1.0
71.01378	17.5
71.05021	1.6
71.63358	0.9
72.99321	1.5
73.02948	6.1
81.03448	1.4
83.01379	6.6
83.05032	2.0
85.02953	11.6
87.00883	4.4
89.02434	6.8
91.01888	28.6
92.02206	0.7
93.03449	9.3
95.01389	1.6
97.02977	0.8
99.00886	1.2
101.02449	8.7
108.02176	3.4
109.02941	2.3
111.00880	0.6
111.04517	2.4
113.02455	6.9
118.98069	1.7
119.03502	2.5
121.02950	0.9
123.00857	0.8
127.04007	1.9
134.06120	0.9
135.00877	33.5
136.01198	1.2
136.05275	1.6
137.02393	1.9
139.11281	14.4
140.11633	0.9
153.09210	0.7
153.12875	0.9
155.03476	1.6
159.02972	1.2
161.04536	3.3
163.11267	0.9
165.09250	0.9
167.03482	100.0
168.03848	4.9
173.04543	27.8
174.04814	1.2
181.12318	8.7
181.72603	0.6
183.10255	17.8
184.10582	1.3
191.05577	10.6
197.11856	3.7
197.13535	0.6
199.13400	7.0
209.15559	1.1
215.56218	0.8
225.11307	7.6
243.12346	78.4
244.12708	5.9
275.12793	2.1
309.08829	0.9
313.13028	0.9
315.62045	0.7
335.14655	1.7
353.16010	3.7
356.12549	0.8
371.09543	1.7
371.13104	1.1
371.17365	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	371.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
59.01371	29.1
60.99310	1.0
66.60903	0.8
67.01888	3.9
69.03474	1.0
69.83416	4.1
70.58597	0.7
71.01366	5.3
71.05011	1.0
73.02927	1.4
78.85332	0.8
81.03426	1.0
83.01361	2.6
83.05035	0.8
85.02914	4.0
87.00846	1.1
88.16159	0.7
89.02406	1.3
93.03448	28.3
94.03762	1.4
101.02389	1.6
108.02145	1.3
109.02894	1.8
111.00896	0.9
111.04519	5.1
113.02413	1.5
114.97518	0.7
121.02946	1.1
127.04013	1.3
128.36121	0.8
135.04439	1.2
135.95108	0.8
137.02428	3.7
139.11302	4.8
150.22873	0.8
153.09192	11.5
155.03488	4.5
167.03444	1.9
173.04520	100.0
174.04845	4.2
180.98515	0.7
181.12292	2.7
183.10228	7.9
191.05530	3.1
197.08156	4.4
197.11768	2.4
199.13367	2.6
225.11269	3.3
243.12325	32.1
244.12675	2.3
353.15961	1.8
371.13043	7.4
371.17126	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	371.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57586	1.7
55.01883	2.5
57.03439	3.3
58.00601	2.2
59.01374	100.0
61.98815	2.3
70.10452	8.4
71.01380	46.5
71.43663	1.5
72.01666	1.5
72.99320	4.9
73.02945	39.2
81.82631	1.7
82.62625	1.7
83.01376	16.3
85.02949	13.8
87.00866	2.4
88.03997	1.9
89.02430	24.7
91.62176	1.5
91.80998	1.6
93.03473	2.3
95.01358	3.3
99.00909	1.7
101.02444	31.6
105.74890	1.7
113.02436	26.6
119.03492	6.9
121.02905	2.5
125.02496	1.7
131.03462	1.8
134.03734	21.7
143.03537	2.2
146.04527	2.5
149.06058	26.8
153.09198	2.6
161.04568	4.5
173.04512	7.1
179.05627	3.2
191.05573	4.5
197.08102	2.3
246.27478	1.9
311.11340	15.3
312.11737	1.9
329.12344	4.0
371.23111	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	371.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
59.54577	0.4
62.05823	0.3
67.01873	0.4
69.03460	0.5
69.34395	0.5
69.34801	2.6
71.01379	0.8
73.02971	0.3
78.95918	0.4
80.13457	0.4
83.04993	0.4
85.02944	8.8
87.00874	2.1
93.03459	3.0
108.90187	3.2
109.02993	0.8
111.04509	1.0
118.62983	0.4
119.75343	0.3
127.04018	1.9
130.58052	0.3
141.90309	0.3
173.04474	0.8
185.52768	0.3
191.05589	100.0
192.05942	4.5
195.97961	0.4
297.08203	0.4
355.78925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18515	0.9
59.01376	100.0
60.01690	0.9
61.98838	0.9
69.45334	6.9
69.98779	0.9
71.93674	0.8
75.14243	0.8
83.01355	1.0
85.02921	0.9
95.92765	0.8
100.80341	0.8
111.35586	0.8
127.12995	0.8
130.08716	2.2
160.59245	0.8
167.03474	2.1
170.03278	0.8
173.04546	1.0
195.21867	1.0
198.45763	0.8
210.15825	1.0
311.11691	0.8
372.21439	1.7
388.13562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
61.98825	100.0
71.01390	0.6
71.63148	0.9
83.01370	2.9
87.00873	0.9
121.02943	5.2
136.05269	1.0
149.25154	0.8
168.04189	0.6
179.03392	0.7
274.08554	0.6
316.09399	0.6
322.78027	0.6
342.32077	0.6
371.15045	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	370.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
61.98824	100.0
67.09565	0.6
68.00684	0.6
71.01372	0.9
80.22733	0.6
83.01389	4.1
87.00895	1.2
100.00393	1.9
105.18193	0.6
115.65493	0.7
121.02965	1.8
123.27940	0.6
127.99184	0.7
135.25189	0.8
136.05287	1.4
168.04318	1.0
187.07669	1.4
193.02811	1.0
199.13432	0.8
201.05588	1.0
215.07178	0.9
223.13354	0.8
229.08531	0.9
230.09564	0.7
274.08530	1.6
296.11465	1.0
296.61868	2.8
369.64481	3.4
370.14709	1.0
371.15152	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
59.01369	13.6
60.44575	1.4
61.98825	10.1
68.99814	2.3
70.43501	1.0
70.51289	2.8
70.51692	2.1
71.01367	8.5
72.17171	1.2
72.99324	1.6
73.02945	4.0
76.26559	1.0
78.95916	1.6
83.01365	6.9
85.02959	8.2
87.00870	51.4
88.01215	1.4
89.02444	3.4
93.03437	4.6
95.01374	1.3
96.96024	3.0
97.02945	1.9
99.00838	1.4
101.02427	5.1
105.01931	1.2
108.02173	3.1
111.00838	2.6
113.02440	2.6
121.02940	4.6
123.00877	4.3
123.04516	2.9
124.01611	2.3
131.04959	1.9
134.03722	8.2
135.04471	4.5
136.01627	9.2
136.05211	2.2
137.02420	2.5
146.03720	12.8
147.04518	2.7
148.05295	25.0
149.06078	28.4
150.03168	1.3
150.06473	1.8
151.03986	12.3
152.01115	4.0
155.07169	1.6
158.03702	2.2
159.04457	1.4
160.01770	1.4
161.02429	8.1
161.06081	10.3
162.03195	3.3
163.04007	4.7
163.07669	3.5
164.04793	8.8
165.05670	1.3
172.05266	2.9
173.04558	10.8
174.03210	2.1
175.03993	14.3
176.04738	12.1
177.05608	5.7
178.06279	3.4
179.07126	5.8
187.04059	1.5
188.04736	6.1
189.05486	1.9
191.03464	2.2
191.05551	3.0
191.07169	7.0
192.04265	1.9
197.04510	2.5
197.23592	1.2
203.03491	1.6
203.07210	1.6
204.04271	5.5
205.05028	4.0
206.05867	2.7
207.06573	4.8
208.00198	2.7
209.02916	2.7
215.03442	2.5
217.04987	4.6
219.06615	6.9
220.03761	2.0
221.08223	3.1
230.64928	1.8
232.03676	9.7
235.06091	54.2
236.06366	3.8
247.06075	24.9
248.06433	2.9
249.07800	1.6
265.07156	57.8
266.07501	4.7
279.08810	1.9
295.08142	2.3
297.23178	1.1
307.08383	2.9
325.09271	18.6
326.09665	2.1
335.13531	5.3
353.08685	10.0
371.06198	5.1
371.09842	100.0
371.14496	4.2
372.10217	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	369.168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50707	6.4
56.70184	6.2
59.01376	100.0
59.10067	7.7
61.98827	5.6
66.26366	6.6
69.50932	14.1
69.51328	41.8
71.01360	15.4
74.02493	6.6
75.90937	6.3
78.95873	9.2
87.00875	14.0
96.95995	27.5
99.31506	6.1
101.02407	8.2
101.65471	6.5
107.05049	11.9
113.02419	10.0
113.27360	6.8
120.99654	10.1
135.04480	14.7
161.09631	11.4
173.04517	19.4
187.11244	20.4
189.09172	11.1
191.05704	12.1
199.26099	7.9
205.12265	7.6
205.26666	6.8
223.13382	55.8
229.12260	6.8
267.12384	29.2
291.12247	6.9
309.13434	6.8
369.15189	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	370.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67570	0.6
55.01873	0.8
57.03444	1.4
59.01374	9.3
59.08741	0.6
61.98826	1.3
67.01892	4.0
69.03437	0.7
71.01376	7.2
73.02945	1.1
74.01452	0.6
81.03457	0.8
81.26252	0.6
83.01380	2.7
85.02940	1.7
87.00880	0.9
89.02444	2.1
93.03456	22.7
94.03773	1.2
98.19757	1.1
99.00867	0.9
101.02445	2.5
108.08187	82.0
109.08536	3.4
111.00870	1.1
111.04527	4.1
113.02424	2.1
137.02440	5.6
147.14247	0.6
152.07159	44.8
153.07491	1.9
155.03482	4.1
161.04544	1.5
173.04536	95.9
174.04909	4.5
191.05550	1.8
196.06131	100.0
197.06471	5.9
229.17818	0.8
298.20648	0.5
370.11267	1.7
371.16141	1.1
371.20685	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	370.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67724	1.5
59.01379	9.0
61.83723	1.4
61.98824	100.0
69.73903	1.5
83.01400	10.3
84.26199	1.5
121.02938	11.8
136.05252	3.0
167.44325	1.5
168.04211	2.9
226.83452	1.8
229.23225	1.9
371.14932	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	369.0822
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
56.81675	0.9
59.01377	8.0
61.98835	5.1
69.24745	3.6
69.25182	4.3
71.01375	2.4
71.37756	0.8
73.02927	1.9
78.95894	1.6
85.02944	1.4
87.00887	1.0
89.02428	1.3
93.03463	3.8
96.96003	5.4
101.02423	1.3
107.01352	2.3
120.02152	1.4
120.99640	1.6
121.03003	0.9
123.00902	1.2
134.03712	1.3
135.00862	4.1
142.06587	2.5
147.04521	8.5
148.41064	0.8
163.00362	12.9
164.01137	1.8
173.04454	3.9
175.02492	1.0
190.99843	42.5
191.05536	5.3
192.00626	90.9
192.74829	0.7
193.00998	5.2
193.06071	1.9
205.01427	1.1
206.02184	22.7
207.02963	100.0
208.03320	5.9
222.02258	1.6
354.05872	1.7
369.08212	66.9
370.08487	6.1
370.15421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1653
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
51.47086	2.0
52.35665	1.5
59.01374	8.9
69.03445	2.1
69.85393	1.4
70.85365	4.2
74.82673	1.4
87.35413	1.6
97.02934	13.8
109.06521	1.8
111.04460	1.6
117.98891	2.0
123.04503	1.7
123.08129	1.9
151.11246	4.4
185.11752	2.8
191.05592	2.0
193.12215	1.8
195.13875	3.6
221.11816	3.0
233.11540	2.5
239.12871	3.8
240.13667	1.8
247.20656	4.4
248.21037	1.5
261.11002	3.1
261.25040	2.0
262.11835	70.9
263.12183	5.7
273.18875	3.0
273.46133	1.5
291.19635	71.4
292.20047	7.5
298.08231	3.7
309.20673	57.0
310.21088	5.2
313.17865	1.6
318.78705	1.4
331.02350	1.6
331.18857	56.3
332.19061	5.7
356.12653	1.5
366.99701	2.5
367.16498	100.0
368.16876	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.7
61.98831	100.0
70.83163	9.4
70.83505	6.3
86.83990	4.3
97.02972	6.6
97.54530	4.4
103.78043	5.2
118.65968	4.2
121.02837	6.6
135.07231	4.7
137.09705	6.1
137.99762	4.6
171.10220	6.9
177.05386	4.9
209.15474	5.3
247.20889	4.8
289.18185	5.3
291.19525	8.0
307.19177	9.5
309.20569	7.2
367.11899	9.4
367.16449	73.9
379.93097	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	367.2275
Annotation	Neurymenolide A
Peak:m/z	Relative Intensity
52.97398	0.8
66.86025	0.8
71.57943	0.7
77.03949	0.8
82.07446	0.7
87.40337	0.7
92.91603	0.6
93.03459	2.0
95.01378	1.1
105.03474	0.8
117.03461	81.2
118.03591	1.0
118.04247	3.7
119.05020	3.2
121.02950	68.9
122.03257	2.0
123.04514	21.0
123.33096	0.7
132.02184	1.3
133.02956	13.6
134.03745	6.3
145.02924	2.9
149.02396	2.0
160.26122	0.7
162.03212	29.0
163.03854	3.2
242.83337	0.7
242.90146	0.9
298.43488	0.7
367.22736	100.0
368.23065	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	368.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59071	1.5
59.01363	4.7
60.77742	1.7
61.98824	100.0
69.68049	1.4
93.20997	1.7
112.30350	1.6
113.78593	1.5
128.87256	1.6
264.34290	1.5
286.23944	2.6
343.93182	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	368.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27332	0.3
58.02961	0.6
59.01377	1.9
68.31144	0.4
69.47820	0.4
69.48149	3.2
71.01369	1.1
78.95868	0.5
85.02949	0.9
85.44119	0.3
87.00876	1.1
89.02448	0.9
101.02437	1.9
111.00869	0.4
113.02473	0.5
118.03305	0.9
122.06139	1.1
130.08723	100.0
131.01985	0.6
131.08163	0.4
131.09076	3.4
136.07646	0.7
143.01878	0.5
147.52707	0.4
150.05557	4.4
152.07242	0.4
168.99966	0.5
176.07228	0.4
184.97624	0.4
212.98912	0.5
228.36481	0.5
249.06210	0.5
309.11993	0.7
312.10864	1.5
330.11920	4.1
332.12479	0.5
347.14175	0.4
368.10269	0.5
392.15274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01376	100.0
60.01716	1.0
60.99305	0.7
61.98830	3.3
66.91042	0.4
67.01894	2.0
69.03453	0.9
69.54256	2.9
71.01381	5.1
73.02948	1.8
81.46436	0.4
83.01366	0.7
85.02947	4.6
87.00866	2.8
89.02454	0.8
93.03449	14.1
96.96030	0.5
99.00899	0.6
101.02430	3.7
111.04485	2.0
113.02484	2.0
117.03474	1.2
119.03467	0.4
127.04086	0.5
134.03737	14.9
135.04134	0.9
137.02492	0.5
149.06102	1.0
155.03508	0.8
161.04543	3.0
163.04051	0.5
167.03568	1.6
169.19357	0.5
173.04539	13.4
173.05998	0.7
191.05592	33.3
192.05983	1.8
193.05046	14.7
193.06738	0.8
194.05370	1.0
208.99184	0.5
235.11946	0.8
247.11977	1.3
265.12903	10.1
265.15509	0.8
266.13208	0.8
277.84015	0.4
307.13962	3.4
337.64493	0.4
367.10580	3.3
367.15460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69555	0.2
54.23579	0.3
59.01374	1.7
61.98829	0.3
62.85300	0.3
67.01887	0.9
69.03452	0.3
70.93287	0.4
70.93635	0.6
71.01373	0.8
85.02945	7.2
86.03284	0.3
87.00875	1.9
93.03450	5.0
102.17191	0.2
109.02946	0.6
111.03850	0.2
111.04473	1.4
113.01302	0.2
120.32363	0.3
127.04005	1.7
134.03732	2.6
137.02478	0.4
150.05566	0.4
152.99557	0.3
160.01663	0.4
171.03020	0.5
173.04541	3.2
174.04738	0.3
191.05588	100.0
192.05931	4.0
193.05067	1.2
229.54970	0.3
367.10245	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	367.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30155	0.6
57.03448	1.4
59.01375	100.0
60.01706	2.3
61.98821	11.6
67.01889	2.0
68.66313	0.6
69.03477	1.0
70.62876	1.9
71.01380	5.5
73.02946	2.2
81.03439	0.8
83.05022	1.6
85.02952	6.5
87.00856	4.0
87.04493	1.4
89.02446	1.6
89.03957	1.8
93.03456	14.4
93.05874	0.7
94.03726	0.7
95.84475	0.6
96.96013	1.6
99.00888	1.5
101.02475	5.2
106.04270	0.8
109.02972	0.8
110.54333	0.8
111.04519	4.2
113.02454	1.0
117.03449	6.1
119.04977	0.8
127.04018	1.0
129.01918	0.7
134.03734	78.3
135.04079	3.1
137.02426	1.9
144.04552	1.8
149.06076	5.0
151.15485	0.8
155.03506	3.0
158.06126	1.0
161.04529	3.3
167.03481	1.1
173.04523	15.3
176.01108	1.0
191.05597	46.0
192.05930	1.4
193.05042	79.0
194.05322	4.6
204.06676	0.9
208.99129	1.1
218.89418	0.7
235.11899	1.8
247.11864	1.4
265.12894	11.4
296.11462	2.7
307.14001	3.3
349.14124	1.0
367.10477	6.2
367.15283	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65340	0.6
56.83105	0.7
56.97707	0.7
59.01387	2.1
60.99301	1.8
61.98835	0.8
67.01889	7.3
69.03478	2.0
70.21508	1.6
71.01381	3.9
80.70670	0.6
81.03452	1.3
83.05049	1.9
83.22365	0.6
85.02933	3.6
87.00864	6.9
87.01254	0.6
89.03975	0.7
90.05984	0.7
93.03449	44.3
94.03803	1.6
102.65253	0.8
109.02957	1.1
111.00874	1.0
111.04515	7.1
117.03504	2.2
127.04021	1.3
134.03720	25.2
135.04115	1.7
137.02409	4.7
149.06104	1.4
155.03455	5.4
158.06985	0.8
173.04527	100.0
174.04939	4.3
191.05585	88.2
192.05901	4.5
193.05022	19.3
194.05331	0.9
301.43442	0.7
312.24042	0.7
367.10269	7.8
368.10358	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	366.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
61.98822	100.0
69.34422	4.4
71.01395	0.7
72.99293	0.7
89.02425	0.7
93.03483	0.6
117.01949	1.0
142.99806	1.0
167.06990	0.4
173.00822	0.7
173.04474	0.6
174.01659	1.0
191.05605	1.2
225.07678	0.9
271.08466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.3
59.01374	8.2
67.01884	12.0
69.98367	1.1
71.01389	1.4
71.31865	1.9
73.33202	1.1
73.58837	1.3
81.03447	1.7
85.02950	1.2
87.00877	2.2
94.45358	1.1
99.04507	4.9
111.00873	100.0
112.01202	2.5
115.04046	1.3
126.43830	1.2
142.99834	2.7
143.03485	45.4
144.03830	2.0
161.00856	1.4
161.04469	1.5
167.03476	2.1
173.04547	2.5
187.02461	1.2
188.39201	1.0
191.05565	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	367.1031
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
57.03415	0.4
57.73426	0.4
59.01376	15.5
59.92771	0.4
61.98815	1.7
69.03455	0.4
69.49978	1.4
69.50404	1.1
71.01384	1.4
72.46142	0.4
73.02965	0.5
81.03465	0.4
83.05016	1.0
85.02950	1.2
87.00857	0.9
87.04534	0.8
89.03967	2.0
89.95968	0.3
90.31062	0.3
91.51040	0.3
92.15054	0.3
93.03447	4.4
96.95989	0.8
101.02429	1.1
106.04229	0.6
111.04510	2.9
113.02461	0.5
116.52660	0.3
117.03453	8.9
118.03768	0.6
129.01927	0.5
134.03731	84.8
135.04068	4.0
137.02412	0.9
144.04468	0.4
149.06053	6.1
155.03493	2.7
161.04518	0.6
173.04547	6.6
191.05591	8.9
192.06023	0.5
193.05037	100.0
194.05374	6.2
235.11852	0.8
248.73347	0.5
265.12933	1.2
307.14053	0.6
320.23798	0.4
367.10306	7.7
367.15070	0.9
368.10471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32043	0.2
59.01373	0.4
61.90245	0.2
69.66924	1.2
75.64092	0.2
107.70190	0.2
113.79758	0.2
116.05048	3.0
132.04546	0.3
134.03726	0.3
159.03239	0.6
160.04033	100.0
161.04382	5.8
204.03014	4.7
366.08249	22.1
367.08603	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	366.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09723	1.1
56.67156	1.1
59.01375	17.0
61.98809	4.1
71.01373	9.1
71.62116	2.1
72.99283	2.1
73.02937	2.1
85.02946	3.2
86.00117	2.7
87.00869	16.3
89.02434	4.0
92.03825	1.2
94.06609	1.4
99.00887	1.6
101.02429	4.9
111.00851	1.8
113.02457	2.9
119.03481	1.4
121.05308	2.1
121.32726	1.1
122.06113	27.8
129.01884	1.5
134.06090	4.2
135.03217	2.0
136.04033	2.5
136.07671	14.5
138.05588	1.8
146.06064	1.5
148.07536	1.6
148.98514	1.2
149.02406	1.8
150.05591	88.1
151.05965	2.9
152.07167	7.1
152.93587	1.4
160.04039	11.3
161.04570	1.7
162.05559	3.2
164.07156	2.4
173.04585	1.3
174.05554	1.6
175.06328	3.3
176.07164	8.8
192.06615	1.9
194.08214	3.3
204.06616	4.5
222.07639	2.2
224.01085	1.7
252.08606	2.0
296.96814	1.3
307.13708	1.5
312.07321	2.4
312.10864	35.7
313.11066	3.2
330.11908	100.0
331.08853	2.3
331.12357	10.9
366.08246	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	365.2692
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
59.01379	2.3
61.98812	0.7
71.05001	0.7
71.63350	0.4
71.63770	0.6
83.05019	0.7
87.00822	0.6
100.45937	0.4
105.01919	1.4
110.07182	0.5
121.05890	0.5
137.06010	0.6
144.84320	0.5
153.12823	0.6
155.14346	0.8
163.11218	0.6
165.12799	1.8
181.12288	1.6
199.13373	31.1
200.13708	2.0
209.11716	0.8
219.70964	0.5
250.34636	0.5
277.21677	1.3
347.25888	4.4
348.26270	0.9
363.25418	0.9
365.26901	100.0
366.27258	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
57.57751	0.4
59.01360	0.8
64.53605	0.4
68.43376	0.3
69.65881	2.7
78.97435	0.3
85.06583	2.5
94.09812	0.4
141.55737	0.4
152.14883	0.4
187.38931	0.4
199.13388	2.8
261.18588	1.2
261.30090	0.4
279.19626	16.6
280.19983	1.7
347.25851	5.3
348.26318	0.7
363.25305	0.9
365.26913	100.0
366.27255	16.1
366.31882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38570	1.7
59.01376	18.2
65.88296	1.8
69.31877	16.8
121.10233	23.4
126.78423	1.7
141.19427	2.2
143.92146	1.9
163.42502	2.1
171.10260	58.0
172.10645	3.2
201.02475	5.5
209.21495	2.1
231.21173	3.8
266.96564	2.4
267.27786	1.9
275.20123	100.0
276.20538	10.3
291.19656	4.0
293.21198	83.0
294.21387	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	365.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31992	64.6
59.01378	67.8
71.61283	100.0
78.15554	71.8
106.83458	67.3
145.57343	81.2
156.80875	82.8
187.36668	61.2
225.79787	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03448	0.7
58.00605	0.5
59.01377	17.8
60.78044	0.3
66.80954	0.3
71.01377	11.0
71.05014	0.5
71.19232	0.4
72.97522	0.7
72.99297	1.1
73.02946	3.6
83.01373	2.2
85.02946	4.7
87.00885	1.4
89.02436	6.8
95.01378	1.0
96.96005	2.0
97.02919	0.4
99.00876	1.1
101.01769	0.6
101.02437	11.0
111.00860	0.5
113.02443	4.9
119.03513	2.1
127.11277	1.5
129.01880	0.4
138.55580	0.3
139.11276	0.8
149.04578	0.4
155.10820	0.8
157.12332	6.9
158.12701	0.4
161.04538	1.1
171.13933	0.4
173.04584	0.8
179.05611	0.3
185.11852	1.9
185.13289	0.3
187.13383	0.4
191.05606	0.6
199.13345	0.8
203.12862	18.3
204.13271	1.0
227.12831	0.4
228.87202	0.3
229.14606	0.5
245.13902	0.8
298.95950	0.3
321.09967	0.4
347.17163	1.0
365.18118	100.0
366.18454	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49547	1.0
55.01866	2.5
57.03436	1.4
58.63706	1.3
59.01374	68.3
60.01690	1.3
69.20795	1.0
70.24332	2.8
70.24711	2.2
71.01376	17.1
72.99291	1.7
73.02929	6.8
79.99522	0.9
81.91805	1.1
83.01375	4.4
85.02951	9.0
86.52397	1.3
87.00873	2.7
89.02428	8.8
95.01373	2.3
96.96004	1.6
99.00849	2.3
101.02436	19.9
106.27490	1.1
111.00861	1.6
113.02433	8.3
119.03499	2.5
122.06010	1.1
159.03094	1.6
161.04530	4.3
184.24727	1.0
185.11809	1.9
189.42155	1.1
191.05490	1.6
203.12825	6.8
256.03690	1.3
271.07062	1.3
289.09091	1.9
297.94852	1.1
305.16006	7.7
347.17108	12.9
348.17413	1.6
365.18097	100.0
366.18591	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	365.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39568	3.0
51.43976	2.3
58.00576	2.9
58.33033	2.4
59.01375	100.0
61.98818	6.0
64.93438	2.4
69.95884	7.3
71.01376	23.1
72.99304	3.2
73.02957	5.6
85.02937	4.9
89.02440	26.5
96.96008	4.2
101.02438	17.0
113.02426	13.9
115.48148	2.7
119.03506	11.4
133.02888	14.0
143.07130	5.8
160.04008	21.1
161.04526	9.0
173.04515	3.2
177.01938	8.6
179.05603	5.8
180.03571	2.6
203.03285	3.0
203.12941	4.1
204.03062	9.6
216.28152	2.8
236.89111	2.6
305.12296	2.7
348.07275	4.4
365.14038	3.9
365.18179	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01702	1.8
61.98820	0.7
63.92690	0.4
69.24403	1.9
69.24841	3.0
71.01362	0.6
85.02947	0.5
93.03440	0.5
99.92564	0.6
101.02397	0.6
115.92107	1.0
116.92771	0.6
139.15614	0.5
153.96869	0.5
364.99713	0.6
365.15863	0.6
365.19745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66125	0.4
59.01374	100.0
60.01710	1.8
61.98824	2.0
82.68641	0.4
84.10326	0.5
90.33167	0.4
110.82993	0.6
112.83491	0.4
119.52434	0.5
135.51903	0.5
176.17349	0.4
184.64778	0.4
227.83179	0.4
231.95258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
59.01375	100.0
60.01711	1.3
69.56652	0.8
69.57072	0.4
71.01376	2.8
73.02940	1.3
75.19881	0.2
83.01384	0.9
83.05053	0.2
85.02946	1.5
89.02447	0.5
93.03471	0.4
95.01381	0.3
96.95972	0.3
99.00920	0.4
101.02429	2.1
101.02980	0.2
108.08248	0.2
113.02444	1.2
122.06138	0.3
135.04512	0.3
137.02469	0.2
143.03545	0.3
146.45778	0.2
161.04614	0.6
162.88640	0.2
173.04572	0.4
182.21472	0.2
209.11839	1.7
225.20036	0.2
227.12877	0.8
233.01202	0.2
301.11884	0.2
303.18320	0.3
321.19144	2.5
322.12851	0.3
322.19412	0.2
363.15363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78817	28.2
59.01376	100.0
61.98831	44.7
73.87532	27.5
82.25942	26.8
89.41839	29.1
92.72681	30.2
99.60822	30.7
139.30870	25.8
196.51970	29.4
292.78732	31.0
352.87231	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98504	0.4
59.01378	2.8
61.98826	16.1
69.36784	1.1
69.37202	2.8
78.95900	50.9
79.95692	0.6
89.02449	0.5
96.96033	17.3
96.96954	100.0
98.02453	1.0
108.27736	0.5
122.73734	0.5
134.04689	0.8
167.03481	0.5
364.15384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38290	0.7
59.01373	18.0
60.01701	0.9
61.34978	0.7
61.98824	100.0
69.38703	2.1
69.39124	3.7
71.01365	1.3
73.02930	0.6
73.09019	0.7
98.06078	0.7
101.41251	0.8
388.81036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
69.79093	0.3
70.36874	1.0
78.73978	0.3
79.95732	6.5
80.96526	0.4
83.81649	0.3
88.17821	0.3
93.03444	0.5
96.96008	0.6
107.05016	0.9
119.05014	100.0
120.05355	5.4
121.02937	0.7
126.64965	0.4
129.16188	0.3
135.04515	14.8
136.04829	0.9
163.03984	6.2
164.04483	0.4
199.00682	42.0
200.01009	2.4
215.00172	20.9
216.00481	1.2
217.03323	0.3
222.81932	0.3
223.30339	0.3
225.67915	0.3
242.99654	4.9
361.89124	0.4
365.03302	20.6
366.03595	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67440	0.3
59.01376	100.0
60.01706	1.6
71.01387	0.7
73.02947	0.4
84.59177	0.3
89.02429	0.4
98.19742	0.5
101.02444	0.4
209.11935	0.4
227.12970	0.3
229.24501	0.4
322.13086	0.3
378.57916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
59.01375	100.0
60.01711	1.3
69.56652	0.8
69.57072	0.4
71.01376	2.8
73.02940	1.3
75.19881	0.2
83.01384	0.9
83.05053	0.2
85.02946	1.5
89.02447	0.5
93.03471	0.4
95.01381	0.3
96.95972	0.3
99.00920	0.4
101.02429	2.1
101.02980	0.2
108.08248	0.2
113.02444	1.2
122.06138	0.3
135.04512	0.3
137.02469	0.2
143.03545	0.3
146.45778	0.2
161.04614	0.6
162.88640	0.2
173.04572	0.4
182.21472	0.2
209.11839	1.7
225.20036	0.2
227.12877	0.8
233.01202	0.2
301.11884	0.2
303.18320	0.3
321.19144	2.5
322.12851	0.3
322.19412	0.2
363.15363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87877	0.5
57.03491	0.6
59.01113	0.7
59.01430	10.5
61.98860	0.6
64.34278	0.5
65.32136	0.5
69.49217	2.0
69.49641	2.1
71.01382	4.7
72.99354	0.9
73.02994	1.3
80.96632	0.6
83.01427	0.7
85.03023	1.9
85.06598	3.6
89.02456	3.7
93.03506	1.7
95.05045	0.9
101.02436	3.2
108.04545	6.6
113.02501	2.1
113.06158	0.7
119.03548	0.9
121.05325	2.6
122.06184	0.9
122.99303	0.7
123.03257	9.7
135.04594	0.6
136.07672	17.0
137.08086	0.9
137.09796	0.6
138.05603	41.5
139.06013	1.7
173.04558	8.7
182.04593	2.7
183.10254	8.1
184.07712	1.3
184.10600	1.0
185.85127	0.6
191.05556	0.9
195.90771	0.6
199.10117	1.3
200.05951	1.4
201.11386	2.4
212.05864	3.7
213.10226	0.6
214.12419	4.1
227.08232	17.4
228.08705	1.8
241.09776	0.9
242.10583	16.7
243.10910	1.1
257.12924	100.0
258.13266	8.9
287.10489	0.7
288.08502	0.7
301.11887	1.3
345.10880	15.7
346.11035	1.9
363.11935	4.0
363.16476	29.5
364.16995	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49669	2.3
59.01376	100.0
60.01712	2.9
61.98819	6.7
67.01901	5.0
67.50461	2.1
69.03468	3.0
69.19216	1.7
71.01380	22.2
71.05002	2.0
71.62508	3.9
72.99283	4.3
73.02937	8.2
74.02450	2.3
79.30219	1.8
83.01418	2.6
83.05026	2.2
85.02950	8.4
87.00884	4.8
89.02448	13.0
93.03457	20.7
95.01357	3.7
96.96008	19.2
98.95592	30.8
98.96317	3.6
99.00903	3.5
99.04550	2.6
101.02435	15.2
108.04514	2.4
111.04505	6.4
112.98809	5.0
113.02467	9.0
115.00375	4.8
117.01953	3.9
118.98064	2.1
119.03497	2.6
119.05018	43.1
120.05311	2.2
122.06076	2.0
123.08158	4.3
129.02007	1.7
134.03719	6.5
136.99139	2.6
137.02399	2.4
137.06076	2.1
137.09715	4.5
139.07640	2.5
144.59662	1.7
147.04509	38.3
150.05629	2.2
153.05582	6.3
154.05063	2.2
155.03502	3.0
156.06578	3.5
161.04543	5.4
162.05621	2.1
163.04002	63.0
164.04425	2.1
164.07137	2.1
165.05577	2.9
165.09174	6.4
167.07141	6.8
173.00888	8.5
173.04533	58.8
173.06006	3.7
174.01685	62.6
175.02419	10.9
176.03566	2.6
178.05092	8.8
179.05606	2.5
183.10286	2.6
189.01659	3.7
189.11295	21.8
191.03592	2.1
191.05582	4.4
201.01666	15.8
201.11394	12.3
211.06178	11.7
257.09122	2.9
257.13037	3.1
271.08182	10.4
325.09271	5.1
327.10690	7.2
363.09628	31.4
363.16522	47.0
364.10312	3.0
364.16284	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	363.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
59.01091	1.8
59.01379	28.7
61.98832	2.2
65.99834	2.3
70.47244	3.5
71.01375	11.6
71.41216	0.9
72.99305	1.7
73.02930	2.8
73.72191	0.9
75.00869	0.8
82.02977	37.0
83.01377	5.1
83.37209	0.8
85.02946	4.0
89.02436	6.9
89.24882	0.8
92.05048	1.3
93.03459	1.4
94.02971	2.3
95.04982	1.1
96.95995	3.1
99.00864	1.6
101.02442	5.4
108.04561	5.4
108.57823	1.0
109.02996	1.2
109.56292	1.2
110.02453	1.7
111.00909	1.6
113.02434	4.1
116.05034	4.0
118.98017	1.1
119.03478	2.2
120.04551	1.8
120.99567	0.9
121.05363	2.1
122.02467	1.4
122.06145	5.0
123.03259	5.7
135.03009	3.2
136.04042	26.4
136.07671	15.6
137.02455	0.9
137.07913	1.2
138.05602	33.4
148.03975	1.4
150.05527	1.2
152.03540	1.7
160.07674	3.3
161.04599	2.2
161.07196	2.1
164.03519	43.8
165.03773	2.8
172.07729	1.2
173.04570	1.9
176.07210	2.2
180.02979	1.5
182.04576	2.3
183.10257	2.8
184.07672	1.7
188.07025	1.3
194.04561	24.9
195.05339	8.1
196.06131	23.8
197.06476	1.7
201.11218	1.7
202.08783	7.8
203.08246	1.1
204.06633	2.7
210.76462	0.9
212.05827	2.0
212.23500	0.9
214.12445	1.4
215.05898	1.0
216.06755	1.0
216.10323	1.2
219.11295	1.0
227.08244	10.6
229.05974	1.0
231.07771	2.1
231.11336	3.2
234.35732	0.9
241.09741	1.2
242.08304	1.7
242.10582	11.8
243.07872	1.7
243.11073	1.4
244.09836	4.9
245.09311	2.6
246.07726	3.4
257.12921	66.4
258.06326	2.7
258.13275	5.7
259.07211	2.7
259.10876	2.4
269.09122	1.8
270.07626	4.8
271.07343	3.2
272.07886	1.2
287.10349	100.0
288.08517	6.8
288.10794	7.2
291.09793	2.4
313.08362	2.2
319.12860	3.2
323.87823	1.1
331.09320	48.4
332.07703	3.7
332.10083	2.5
345.10895	11.4
345.15036	1.8
363.11810	13.9
363.16510	42.5
364.12619	1.1
364.17004	4.1
364.26892	2.0
389.69061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33773	0.7
59.01375	7.0
61.98833	1.0
62.88567	0.7
65.99838	1.8
68.45890	0.8
71.01378	1.8
71.62561	0.9
81.03422	0.8
82.02979	38.2
83.01385	3.6
83.03339	0.8
92.05051	0.9
94.02959	3.0
101.02402	0.9
105.02171	0.9
120.00926	1.5
120.04529	1.5
120.76647	0.7
121.01667	0.9
122.02503	1.8
122.06123	6.1
136.04033	29.5
136.07689	2.1
137.04347	1.0
138.05533	1.5
146.02397	0.8
149.79440	0.8
150.05656	1.1
152.03569	1.1
160.07634	2.0
162.05626	1.0
164.03520	43.3
165.03851	1.5
173.04716	1.1
176.07115	1.3
177.16978	0.8
178.08755	1.8
180.02975	1.5
182.04535	2.2
188.07185	1.3
191.05621	1.0
194.04561	23.1
195.05283	6.2
196.04335	1.3
196.06140	26.4
197.06508	1.9
202.08739	3.0
204.06613	2.1
214.04994	0.7
216.10135	1.0
217.06155	1.1
219.11394	0.9
220.39023	0.8
228.06735	1.4
229.06133	2.1
231.07715	3.2
242.08383	1.2
244.09808	5.7
245.09360	3.1
257.05609	1.1
257.22632	0.8
258.06366	4.4
259.07123	2.8
259.10794	1.8
269.09412	1.6
270.07657	6.3
271.07306	4.0
272.07941	2.1
275.13931	1.0
283.12277	0.7
285.08887	1.0
287.10352	100.0
288.10666	10.2
291.09787	2.6
313.08295	2.7
319.12985	2.2
321.15216	0.9
331.09329	50.0
332.09650	5.5
363.11884	6.7
363.16504	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18005	3.0
53.09310	2.8
58.16157	2.9
59.01377	100.0
63.95930	2.8
83.11488	2.8
94.74564	2.7
96.33791	2.6
98.20618	9.4
136.55383	3.0
149.92035	3.1
173.54785	2.9
180.01747	3.6
184.48920	2.8
264.38800	3.4
376.66013	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	362.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
61.98826	100.0
66.98669	0.6
70.52068	2.1
71.01356	1.3
83.32513	0.6
85.02949	1.0
89.02448	0.8
96.96003	4.5
98.95611	0.8
101.02417	0.8
118.60070	0.7
119.05052	3.0
119.20099	0.6
120.05362	0.6
134.03717	0.7
137.02493	0.9
137.06068	1.1
161.04552	0.8
163.03951	4.4
164.04343	1.8
165.41862	0.8
191.05641	1.5
201.01775	2.4
221.39671	0.6
224.05740	0.6
238.15465	1.0
268.39963	0.6
282.14258	1.2
329.93628	0.6
362.09985	5.7
363.09396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80228	0.7
52.79402	0.7
59.01374	23.6
61.98821	1.1
65.99840	2.0
69.03460	0.7
69.83237	4.3
71.01377	1.9
73.02926	1.0
82.02977	35.8
83.01373	3.7
83.03327	1.1
85.02988	1.0
88.18623	0.7
92.05071	1.2
93.03440	1.5
94.02969	2.0
96.96011	1.7
98.20618	0.8
98.90611	0.7
99.00858	0.9
101.02472	0.8
120.04543	1.1
120.99663	2.6
121.01693	0.9
122.02484	1.5
122.06130	4.9
124.04089	0.8
135.03291	0.7
135.04497	1.2
136.04033	27.6
136.07671	2.0
137.04417	1.2
152.03487	1.3
160.07613	1.6
164.03517	39.9
165.03810	1.8
173.04655	1.0
173.06047	0.7
176.03731	0.9
176.07095	2.0
178.08696	0.9
180.02971	1.9
182.04590	1.8
188.07104	1.4
191.05606	3.5
194.04564	23.8
195.05339	6.8
196.06125	25.1
196.19386	0.7
197.06519	2.0
202.04965	0.8
202.08749	2.1
204.06706	1.9
217.06148	1.2
219.11403	1.1
227.08208	1.1
231.07718	2.7
243.11259	1.0
244.09822	6.7
245.09401	3.6
250.18843	0.8
257.05698	1.4
258.06354	3.5
259.07193	2.0
259.10794	1.8
269.09293	1.9
270.07623	4.8
271.07272	4.1
287.10339	100.0
288.10855	8.3
291.09814	1.6
313.08246	2.1
319.12988	2.2
331.09314	47.9
332.09641	5.3
363.11768	8.5
363.16275	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	361.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33042	2.0
51.91923	1.7
59.01369	6.0
61.98813	2.8
69.68250	7.3
69.68661	4.0
75.92987	1.9
84.02178	2.7
88.52303	2.0
97.06584	5.3
97.45422	2.3
125.09707	47.3
126.09995	2.3
137.09706	26.1
153.09164	3.7
155.10742	4.9
171.10197	5.5
209.11768	5.3
221.38181	2.3
238.79115	1.8
289.18115	4.7
307.19113	100.0
308.19473	10.8
325.20172	40.8
326.20496	4.1
338.41162	2.2
361.20346	2.7
374.91837	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	361.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33042	2.0
51.91923	1.7
59.01369	6.0
61.98813	2.8
69.68250	7.3
69.68661	4.0
75.92987	1.9
84.02178	2.7
88.52303	2.0
97.06584	5.3
97.45422	2.3
125.09707	47.3
126.09995	2.3
137.09706	26.1
153.09164	3.7
155.10742	4.9
171.10197	5.5
209.11768	5.3
221.38181	2.3
238.79115	1.8
289.18115	4.7
307.19113	100.0
308.19473	10.8
325.20172	40.8
326.20496	4.1
338.41162	2.2
361.20346	2.7
374.91837	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01700	2.2
69.38519	1.4
71.01385	2.7
75.82820	1.2
80.46061	1.1
83.05010	1.9
91.04016	1.3
93.03448	2.2
98.20668	1.6
107.31165	1.0
163.11273	1.9
165.12836	1.2
173.04555	3.3
185.57460	1.1
187.13341	2.8
209.11807	95.0
210.12128	8.3
222.76338	1.2
227.12825	6.0
234.75624	1.7
257.07135	1.2
333.58130	1.2
361.18427	2.2
361.22299	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14212	1.7
58.73961	1.7
59.01377	50.7
60.80449	1.6
61.98827	36.7
62.10289	1.7
65.06058	2.0
70.58994	1.7
71.01376	15.2
71.61493	1.7
71.62147	2.4
72.97536	6.3
73.02946	5.7
78.95906	8.9
79.95729	1.9
83.05013	2.5
85.02953	6.9
87.00880	2.2
89.02451	1.9
93.03442	3.3
95.01404	4.2
96.96008	62.6
96.96960	13.1
99.00853	2.2
101.02424	11.3
109.02981	2.1
111.00887	3.6
113.02461	6.0
121.02962	6.9
123.00878	100.0
124.01659	8.1
125.02409	1.8
133.96870	2.2
134.04695	3.0
137.02448	5.8
137.06079	2.0
138.03226	76.0
139.04025	24.4
140.04298	1.8
149.02478	3.5
151.04033	3.4
159.03055	2.2
161.04546	23.1
166.02713	4.2
173.04572	4.7
178.02832	2.4
181.05060	7.6
191.05661	3.3
193.05202	2.6
220.63907	1.7
237.14708	2.3
281.13919	3.6
301.09247	42.7
302.09460	2.9
326.76712	2.0
361.09604	35.0
362.09863	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	359.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93903	1.8
59.01376	26.0
61.85523	1.2
66.87547	1.6
71.01398	1.7
71.62121	1.6
85.17051	1.5
89.02450	1.3
94.42403	1.5
277.21686	100.0
278.22006	12.7
359.21997	23.5
360.22424	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	361.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59646	0.5
51.88651	0.5
57.03441	3.8
59.01360	1.5
65.03934	0.8
70.89659	1.2
79.95744	1.0
83.05010	4.1
87.00867	3.7
95.05019	1.1
96.96004	47.6
109.06529	0.6
111.04507	2.0
111.08156	1.0
115.34300	0.5
119.08638	1.0
121.06591	1.9
123.08154	10.6
124.05338	0.7
124.08489	0.7
131.08742	0.5
135.08168	0.8
137.09726	1.1
138.10071	0.5
139.07660	1.8
145.10210	1.5
151.07686	1.5
153.09198	1.7
169.10220	1.0
171.11783	12.7
172.12140	1.2
189.12862	5.2
201.12866	4.3
202.13109	0.5
207.13902	3.2
219.13902	1.8
237.14926	13.2
238.15225	1.1
240.68076	0.5
280.61169	0.6
281.13925	18.2
282.14182	2.4
317.10641	0.7
352.90460	0.5
361.09583	100.0
362.09863	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	361.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.41634	0.5
57.03440	3.7
59.01369	3.3
61.83448	0.6
65.03938	1.2
69.03461	0.6
71.01354	0.9
71.13579	1.2
73.90964	0.5
82.06104	0.6
83.05018	4.0
85.02943	0.9
87.00872	4.4
93.03448	0.7
95.05022	0.9
96.02173	0.6
96.96004	50.0
101.96687	0.5
109.06609	0.7
111.04526	2.6
111.08158	1.2
115.82130	0.5
119.08640	1.1
121.06570	1.5
122.74573	0.5
123.07322	1.0
123.08154	11.6
125.09663	0.7
137.09692	2.0
138.01938	3.9
139.02298	1.7
139.07664	2.2
145.10258	1.5
151.07603	0.9
153.09186	1.5
169.08727	1.2
169.10147	1.3
171.11790	13.8
172.12190	1.0
173.04498	1.5
175.11252	0.5
185.06129	0.6
189.12827	4.6
190.13147	0.8
191.05647	0.6
201.12828	5.3
202.13028	0.7
207.13809	2.6
219.13820	2.0
237.14906	12.4
238.15306	0.9
281.13910	20.5
282.14212	2.3
317.10690	1.1
361.09583	100.0
362.05734	1.0
362.09897	10.8
362.14081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60789	1.4
53.94484	1.4
57.03450	2.3
59.01089	2.6
59.01373	36.7
61.98821	1.5
67.01907	1.5
69.11040	1.3
71.01379	24.4
71.05008	15.4
71.62679	1.5
73.02930	3.0
78.95860	1.5
81.03414	1.7
82.79558	1.6
84.02165	1.8
85.02945	6.6
85.06557	1.6
87.00865	2.7
89.02427	2.9
93.03440	8.0
93.07089	18.2
94.52060	1.5
95.05020	2.2
97.06045	1.5
97.06580	11.3
99.04504	4.2
101.02395	4.0
101.97252	1.4
105.07076	2.0
111.04534	2.6
111.08121	1.8
113.02405	2.0
113.06062	6.9
119.03527	1.8
121.02950	2.3
121.06583	3.7
122.06110	3.6
123.08137	4.6
124.07656	2.6
125.06059	6.7
125.09705	5.8
127.11298	7.1
132.04517	6.0
133.06534	4.5
135.04539	2.0
135.08176	2.4
137.09711	1.7
139.11223	2.8
143.07091	4.8
146.06149	7.6
148.07686	4.6
149.06085	1.6
150.09227	5.1
151.07632	25.2
155.03430	1.5
155.10789	2.5
158.02451	5.0
161.04495	1.5
162.05536	2.3
165.09129	2.5
169.08665	10.6
171.10257	100.0
172.10597	5.7
173.04514	15.1
176.03484	6.7
185.11792	3.6
190.05104	20.3
191.05608	14.1
192.05992	1.4
199.09747	3.6
201.11298	99.6
202.11609	5.3
208.05243	1.4
211.07866	2.4
213.11359	7.3
215.11882	4.4
220.02473	3.2
228.13766	1.6
234.04033	3.8
235.04730	2.0
236.19316	1.6
241.09776	2.8
243.11369	15.3
243.15044	1.8
243.17249	2.0
261.14932	7.1
271.14487	6.0
279.16031	4.4
287.13968	2.4
287.16507	12.1
305.17554	60.7
306.17920	8.6
315.13474	44.9
315.33908	1.5
316.14014	3.0
317.19543	2.3
323.18622	15.5
341.19653	14.0
342.20013	1.9
359.12463	35.3
359.16876	3.0
359.20731	24.1
360.12689	3.2
360.21127	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	359.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60789	1.4
53.94484	1.4
57.03450	2.3
59.01089	2.6
59.01373	36.7
61.98821	1.5
67.01907	1.5
69.11040	1.3
71.01379	24.4
71.05008	15.4
71.62679	1.5
73.02930	3.0
78.95860	1.5
81.03414	1.7
82.79558	1.6
84.02165	1.8
85.02945	6.6
85.06557	1.6
87.00865	2.7
89.02427	2.9
93.03440	8.0
93.07089	18.2
94.52060	1.5
95.05020	2.2
97.06045	1.5
97.06580	11.3
99.04504	4.2
101.02395	4.0
101.97252	1.4
105.07076	2.0
111.04534	2.6
111.08121	1.8
113.02405	2.0
113.06062	6.9
119.03527	1.8
121.02950	2.3
121.06583	3.7
122.06110	3.6
123.08137	4.6
124.07656	2.6
125.06059	6.7
125.09705	5.8
127.11298	7.1
132.04517	6.0
133.06534	4.5
135.04539	2.0
135.08176	2.4
137.09711	1.7
139.11223	2.8
143.07091	4.8
146.06149	7.6
148.07686	4.6
149.06085	1.6
150.09227	5.1
151.07632	25.2
155.03430	1.5
155.10789	2.5
158.02451	5.0
161.04495	1.5
162.05536	2.3
165.09129	2.5
169.08665	10.6
171.10257	100.0
172.10597	5.7
173.04514	15.1
176.03484	6.7
185.11792	3.6
190.05104	20.3
191.05608	14.1
192.05992	1.4
199.09747	3.6
201.11298	99.6
202.11609	5.3
208.05243	1.4
211.07866	2.4
213.11359	7.3
215.11882	4.4
220.02473	3.2
228.13766	1.6
234.04033	3.8
235.04730	2.0
236.19316	1.6
241.09776	2.8
243.11369	15.3
243.15044	1.8
243.17249	2.0
261.14932	7.1
271.14487	6.0
279.16031	4.4
287.13968	2.4
287.16507	12.1
305.17554	60.7
306.17920	8.6
315.13474	44.9
315.33908	1.5
316.14014	3.0
317.19543	2.3
323.18622	15.5
341.19653	14.0
342.20013	1.9
359.12463	35.3
359.16876	3.0
359.20731	24.1
360.12689	3.2
360.21127	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	359.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80806	1.1
54.22143	0.9
59.01376	100.0
61.98813	2.8
64.53680	1.0
71.01377	2.7
71.05003	1.6
71.59082	1.1
78.95893	2.0
83.75972	0.8
86.65997	0.9
93.03455	5.0
99.00866	1.6
109.06542	1.3
118.49840	0.8
151.07607	1.3
152.99547	1.7
155.03395	1.1
171.10246	3.3
172.10536	1.6
173.04517	17.7
176.57617	0.9
177.97580	1.0
181.12402	1.6
185.11768	2.4
195.10162	1.0
201.05536	1.1
201.11295	2.0
207.10255	5.0
225.11266	15.9
226.11708	1.2
294.57040	1.4
299.14984	7.3
305.17688	1.4
323.18472	1.2
346.37762	1.0
359.08365	1.0
359.20627	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	359.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.55476	10.7
61.98794	10.1
66.84864	9.3
69.28298	94.9
74.00465	9.4
75.21342	9.1
81.35962	9.6
89.02425	17.3
101.02439	10.8
187.03961	12.9
217.00290	25.3
299.11032	11.1
310.54214	10.0
315.16220	11.6
323.22314	17.9
359.18414	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48091	0.7
57.01138	0.6
59.01376	100.0
60.01708	1.6
70.97062	1.2
71.01376	7.2
73.02933	1.2
81.03420	0.9
85.02966	1.8
93.03452	0.8
99.00892	1.1
101.02429	4.4
106.04221	1.2
113.02467	2.9
119.05029	5.0
123.00982	0.7
137.06073	56.9
138.06421	2.5
159.02991	0.8
159.89967	0.8
161.04530	10.5
191.05531	0.9
197.04478	1.3
214.86989	0.7
291.65201	1.0
299.11487	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	359.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	98.4
61.98833	7.8
68.35480	8.0
70.15474	43.3
71.01375	29.5
71.05010	38.4
81.03466	10.5
89.02434	10.4
95.05019	31.3
101.02428	14.8
109.06580	44.8
113.02383	9.2
123.08234	9.6
127.68069	8.7
135.08162	19.5
154.09961	18.4
161.06100	16.1
165.09230	27.0
171.10275	48.0
177.52492	9.1
189.12801	28.6
194.92786	18.4
199.09718	20.8
201.02472	16.4
205.15962	14.0
207.10187	24.2
211.13441	10.4
217.00276	64.9
233.11728	14.7
237.14876	9.5
243.17555	26.6
249.14900	18.4
263.16479	11.9
276.93042	10.9
287.16495	100.0
288.16943	9.4
299.11237	8.5
305.17493	54.2
359.22470	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10394	0.2
59.01374	2.7
61.98822	1.2
65.67034	0.2
71.01382	1.2
72.99308	0.5
76.38578	0.2
78.95914	0.4
85.02957	0.5
87.00870	0.6
88.04039	0.2
89.02438	0.7
93.03461	0.5
96.95994	0.3
98.19833	0.5
99.00842	1.2
101.02457	0.3
104.16453	0.2
107.05035	0.3
108.17825	0.2
109.02954	2.6
111.04511	0.3
113.02454	0.4
119.03484	0.4
119.05021	0.4
121.02949	0.3
123.00869	0.4
130.08701	0.5
134.03749	1.3
135.04515	100.0
136.04851	5.0
136.24625	0.2
137.02435	3.4
137.06090	0.8
143.12074	0.2
153.01935	0.6
157.00104	0.2
157.40543	0.3
161.04518	0.3
170.25804	0.2
172.97612	0.4
173.04543	0.9
174.15224	0.2
174.99120	0.2
182.02136	0.3
186.07762	1.1
190.95105	0.2
191.05551	1.7
197.04521	1.2
198.99191	0.3
217.00316	1.1
247.63615	0.2
258.97815	0.3
297.09875	0.3
297.74261	0.2
315.16779	0.3
323.12482	0.4
359.06226	0.2
359.09738	5.5
359.14679	0.3
360.09958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01092	1.0
59.01375	17.6
71.01374	4.2
71.63063	0.7
72.79449	0.6
72.99297	0.7
73.02930	0.8
80.35843	0.7
83.01341	1.0
83.04990	0.8
85.02950	2.5
87.00866	1.1
89.02429	0.9
93.03453	4.4
96.96028	0.7
101.02419	2.5
108.08183	100.0
109.08511	4.0
109.85903	0.7
113.02443	2.5
120.08192	2.1
122.27403	0.6
130.08772	0.8
132.08189	1.3
133.02991	0.7
133.78366	0.6
134.03717	0.7
135.04546	0.9
136.01685	1.2
137.02075	1.2
147.03232	1.0
148.07675	1.9
151.03990	2.3
152.07155	70.5
153.07483	2.8
155.03447	1.0
164.07132	1.0
166.08716	16.5
167.09070	0.8
173.04533	9.8
174.04910	0.7
176.07162	0.9
178.06035	0.7
178.78928	0.6
185.11778	1.1
191.05576	4.4
194.08188	8.2
196.06126	65.3
197.06430	3.9
204.07402	0.8
209.11740	1.0
222.08569	0.7
227.12976	0.7
228.05507	0.9
238.07150	9.7
243.07675	2.0
255.07614	0.8
287.11795	0.6
298.09268	6.2
299.09744	0.6
310.04205	0.7
317.16068	3.6
317.19827	2.5
358.11087	8.5
359.08542	3.2
359.16846	1.3
359.20877	2.0
373.52524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0981
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
56.09587	0.6
59.01410	2.3
67.07677	0.6
69.80791	0.6
71.01402	0.7
71.60921	0.6
72.44600	0.6
72.99302	57.3
73.99687	0.9
96.96040	1.1
107.05076	2.1
109.02989	1.3
123.04521	24.8
124.04902	1.3
134.03763	1.2
135.04518	38.0
136.04910	2.0
137.06044	0.8
151.04034	1.7
179.03485	37.8
180.03818	2.5
185.06480	0.9
191.05588	1.7
197.04530	100.0
198.04854	6.6
198.68147	0.7
223.07646	0.7
225.09299	0.7
237.09111	1.1
299.98587	0.9
341.11224	1.8
359.09583	31.4
360.10077	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	358.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84980	1.9
58.00573	2.6
58.02944	2.3
59.01376	100.0
60.01721	4.1
60.20292	1.7
61.98818	3.8
67.01913	2.7
71.01377	61.6
72.97526	6.0
72.99318	4.7
74.02470	65.2
82.06604	2.3
83.01357	2.5
85.02950	17.1
85.12731	2.6
89.02436	45.0
93.03441	6.0
95.01386	6.4
96.96014	2.4
98.02467	53.3
99.00893	2.8
101.02440	45.3
106.06602	9.0
108.04577	2.6
109.02895	2.8
111.04488	2.5
113.02429	21.0
114.02693	2.2
118.05150	6.0
119.03504	23.1
125.02437	2.1
125.03545	3.6
128.05681	1.8
134.06110	94.1
134.97560	2.6
135.04477	6.6
135.06509	3.3
136.04057	6.2
139.08778	4.7
140.07176	3.4
140.10851	2.1
141.10368	2.0
143.04625	3.5
149.04645	2.1
150.09235	2.1
151.03970	5.0
152.07138	4.4
153.01907	2.7
161.02437	18.5
168.10326	6.1
169.09717	2.8
173.04550	10.9
179.05644	3.0
189.29414	2.2
191.05588	18.0
192.17120	2.2
194.08220	10.7
195.06610	3.0
196.06932	2.2
197.00876	2.0
207.05122	1.8
207.11357	10.8
225.12450	6.9
243.17186	2.1
257.11365	4.0
269.11411	41.4
270.11707	3.2
271.09763	2.9
277.12271	2.5
299.11304	3.4
313.13971	14.0
314.13455	17.4
315.13858	2.1
351.05142	3.2
358.11407	85.7
358.16116	36.2
358.19855	2.2
359.11765	8.4
359.16339	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	357.2278
Annotation	oscr#21
Peak:m/z	Relative Intensity
55.01873	0.6
57.03440	1.8
59.01369	5.0
61.98822	1.0
65.03944	0.7
69.03439	2.7
69.40203	4.4
69.40606	1.2
71.01360	1.7
71.05016	1.5
74.34348	0.6
81.03446	1.5
83.01369	1.9
83.05027	3.2
84.02155	5.5
85.02965	1.1
85.06586	1.8
87.04510	3.6
95.05018	7.6
97.03001	0.6
97.06583	1.7
99.04480	0.7
102.07438	0.7
102.53262	0.6
103.47626	0.7
106.04207	0.7
109.06532	0.8
111.04509	1.3
111.08127	1.1
112.64513	0.5
113.06075	2.2
120.99625	2.5
121.02916	1.3
121.06612	1.2
123.04514	1.5
123.08163	1.2
125.06081	0.9
125.09705	5.4
127.11274	2.0
134.06091	0.8
134.75072	0.6
135.04504	0.9
135.08179	1.4
136.01579	0.6
137.09677	1.7
139.11478	0.7
149.13272	0.6
151.46046	0.7
153.09201	0.8
163.11128	0.7
167.07117	1.0
167.10725	1.0
170.09529	0.8
171.10254	20.0
172.10545	1.7
173.04543	0.8
177.12756	0.7
185.08241	0.6
185.11742	1.0
193.12299	15.7
194.12636	1.3
197.89679	0.7
201.11267	5.4
209.11769	1.5
211.09576	0.8
211.13321	3.8
219.13864	1.6
221.11761	1.0
225.14925	20.7
225.17065	1.3
226.15245	1.3
229.10822	2.5
237.14876	1.2
243.15974	12.8
244.16280	1.2
249.14908	0.8
250.49097	0.7
251.16512	3.0
269.17520	5.4
281.17432	1.2
283.09207	0.6
289.18097	2.5
313.11621	0.7
321.20679	0.9
325.20078	0.7
339.21765	1.7
357.13617	2.0
357.22772	100.0
358.23129	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	357.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
57.31984	0.9
58.00575	1.1
59.01371	4.5
69.74712	5.6
69.75082	1.7
71.01365	1.9
71.05017	1.6
71.94621	0.8
78.95901	3.6
79.95726	1.4
81.03476	1.7
83.01350	1.2
83.05012	1.8
84.02165	1.2
93.03442	1.4
93.07071	1.2
95.05043	1.5
96.96951	6.0
97.06589	3.6
107.05024	2.1
109.06564	7.7
111.04479	1.2
111.08132	1.1
113.80836	1.0
119.05020	19.6
120.05339	1.0
120.99623	1.7
121.02988	1.2
121.06573	4.9
123.04596	1.2
123.08156	3.1
125.06074	2.6
125.09711	22.9
126.10069	1.0
127.11276	7.2
133.06534	2.1
135.04512	3.9
136.05194	1.1
137.06073	2.6
137.09727	2.1
139.07661	2.2
139.11185	1.0
149.06042	2.7
155.10762	3.0
157.12289	1.2
159.59897	1.0
165.09157	2.9
167.07121	9.4
167.10759	4.4
171.10246	15.9
173.04507	2.1
183.10278	1.7
185.08138	1.9
185.11749	2.3
187.09695	3.3
191.05472	1.3
197.11671	1.2
199.00690	7.3
199.09703	4.4
201.11293	100.0
202.11650	6.2
209.11780	3.3
211.09715	7.6
213.11272	5.0
215.00223	4.5
215.12801	2.0
229.10770	59.5
230.11066	4.1
265.07681	1.3
285.15002	6.7
285.20605	1.5
289.17938	2.1
303.15979	13.8
304.16165	1.7
307.19318	1.3
321.16992	16.4
322.17410	2.8
339.18137	8.1
339.21585	1.5
340.18561	1.8
357.06354	5.8
357.13525	1.2
357.18677	1.0
357.22617	3.9
357.26352	1.3
358.26251	1.6
366.68118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87292	0.4
55.01875	0.6
57.03434	0.4
59.01376	100.0
60.01709	0.9
69.34526	1.0
69.34940	3.1
71.01374	7.3
73.02945	2.3
76.53103	0.4
82.29536	0.4
83.01392	1.2
85.02950	3.9
89.02459	1.3
95.01384	1.3
97.02968	0.6
99.00894	0.6
101.02419	3.9
102.34534	0.4
113.02437	2.3
119.03559	0.6
151.03874	0.5
161.04553	3.5
170.91487	0.4
176.91016	0.4
201.11429	0.6
315.18198	2.1
357.22998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
58.00603	0.9
59.01373	3.4
71.00587	1.6
71.01383	0.8
71.05010	1.1
75.42980	0.9
83.01385	1.6
85.02940	1.4
93.03454	1.1
95.05015	1.9
96.90179	0.8
97.06573	2.5
98.03751	1.0
106.07844	0.8
107.05022	1.7
109.06577	7.1
111.04534	1.2
111.08180	1.0
114.74049	0.9
119.05019	2.2
120.99647	2.2
121.06603	4.0
123.04472	1.1
123.08163	1.6
125.09702	19.2
127.11267	6.9
133.06612	1.3
135.04503	2.1
135.08171	1.1
137.06081	2.6
137.09697	1.7
139.07587	1.2
147.04451	1.0
149.06075	2.2
151.07535	1.0
155.10745	3.8
165.09193	1.9
167.07133	9.7
167.10788	4.3
171.10251	18.5
172.10539	0.9
174.06876	1.6
178.60910	0.8
183.10234	1.5
185.08206	2.3
185.11804	2.1
187.09721	1.2
197.11807	2.0
199.09718	3.3
201.11295	100.0
202.11617	5.8
211.09755	9.2
213.11308	3.3
225.11299	1.4
229.10764	53.7
230.11089	4.2
239.09929	2.6
243.12459	0.9
285.14877	6.5
303.15894	10.0
304.16306	2.2
321.17041	10.3
339.18085	8.8
339.21579	1.4
340.18439	1.8
357.13550	1.6
357.22995	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	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01375	100.0
60.01708	1.6
61.98815	1.0
70.13503	2.7
71.94754	0.8
81.03465	1.0
83.01399	1.0
83.05022	1.4
99.04521	0.8
102.98576	0.7
107.81118	0.7
109.02950	2.5
109.06633	0.8
112.78060	0.7
116.62718	0.6
121.02940	6.0
147.03050	1.0
147.90610	0.6
171.10300	1.0
175.00093	0.7
193.12375	0.9
201.11256	1.0
209.11801	1.7
221.48747	0.6
223.13474	3.7
315.12872	0.8
357.06052	2.4
357.13525	2.4
357.23175	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	357.1917
Annotation	19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Peak:m/z	Relative Intensity
51.82005	0.9
57.03421	2.5
58.00606	2.0
59.01368	5.2
67.72995	1.1
69.03458	1.3
70.62903	3.1
71.01382	4.5
71.05018	1.9
78.51255	1.0
78.95872	1.3
80.02676	3.1
81.03464	4.0
85.06599	1.0
87.04536	2.1
91.37099	1.2
93.03456	6.1
97.02957	2.8
97.06577	3.6
99.04520	1.0
103.17735	1.0
108.02171	4.0
108.28602	1.1
109.06585	26.6
111.04485	1.6
113.06090	2.3
121.02953	1.1
121.06600	9.0
122.03735	1.3
123.04514	2.2
123.08163	27.3
124.08438	1.3
125.06078	4.1
125.09717	19.3
127.11288	6.0
133.06708	1.1
137.06087	21.0
137.09711	1.7
138.03226	5.6
139.07628	8.1
139.11292	3.2
140.26309	0.9
141.05608	5.2
149.06055	4.2
151.07666	5.9
151.08733	1.0
152.99538	1.5
155.07146	3.7
155.10748	2.6
155.85255	1.2
164.45949	1.0
165.09232	2.4
167.07129	82.9
168.07422	5.0
171.10255	38.6
172.10596	2.9
173.04546	1.2
177.05580	1.8
178.06296	1.3
183.10274	2.2
185.08194	6.2
187.09755	2.2
188.04684	1.2
189.80034	0.9
199.09795	3.0
201.11311	100.0
202.11647	6.4
203.07074	2.0
211.09645	2.0
213.11284	6.7
215.12746	2.0
217.10812	3.5
224.25241	1.4
229.10783	12.7
251.12822	5.4
275.16034	1.2
277.18063	2.8
285.14841	3.5
302.89008	1.0
303.15967	15.6
304.16333	2.5
321.17050	64.7
322.17255	7.1
339.18042	9.6
340.18759	1.1
357.13519	3.1
357.19150	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	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
57.66167	1.1
57.82151	0.8
58.00602	1.2
59.01376	9.7
62.85361	0.9
65.38503	0.8
65.70619	0.8
66.20794	0.9
69.03442	1.5
69.41569	2.7
69.41997	4.6
71.01378	4.8
71.05013	2.9
73.02940	0.8
78.95882	1.5
80.02672	2.6
81.03439	1.4
83.01385	1.8
83.04977	0.8
85.06587	3.0
87.04501	1.5
93.03445	3.2
94.92958	0.9
95.04974	0.9
96.96037	1.1
97.02946	3.1
97.06574	3.1
98.19845	1.6
98.31165	0.9
99.04527	0.9
104.39777	0.9
108.02161	3.5
108.15706	0.9
109.06580	23.7
110.03738	1.0
111.08135	1.9
113.06043	3.4
121.02972	0.9
121.06578	8.7
123.04527	1.4
123.08147	25.4
125.06064	3.0
125.09717	15.4
127.11272	5.7
133.06587	1.9
136.01653	1.3
137.06062	17.3
137.09686	1.7
138.03183	5.4
138.45633	0.9
139.07664	6.1
139.11258	3.2
141.05550	6.0
149.06050	2.0
151.07628	5.4
155.07089	3.6
155.10774	2.9
165.09128	2.1
167.07118	94.9
168.07440	4.2
171.10242	38.2
172.10548	2.4
173.04527	2.7
183.10201	2.4
185.08221	6.6
187.09750	4.8
199.09726	4.0
201.11298	100.0
202.11632	5.8
211.09694	2.0
213.11314	8.5
217.10773	2.1
229.08635	1.5
229.10782	15.6
236.49875	0.9
251.12930	1.1
251.16232	1.1
259.16891	1.5
277.18021	2.1
285.14880	2.5
293.17587	3.2
303.16016	9.5
321.17032	57.5
322.17419	7.3
339.18066	11.0
356.73260	1.0
357.14273	1.7
357.19098	13.0
358.19449	1.9
376.31326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46272	0.5
55.50264	0.5
57.03439	0.9
59.01367	1.7
60.99299	0.8
67.01880	3.5
69.03450	1.3
69.54707	3.4
71.01363	2.9
81.03468	1.0
83.01376	0.5
83.05029	1.1
87.00866	0.6
93.03451	25.4
94.03798	1.0
111.04515	5.3
112.79335	0.5
121.10229	0.9
137.02449	4.3
139.11304	1.0
155.03471	4.3
171.67349	0.6
173.04533	100.0
174.04861	4.9
183.10246	9.5
221.15308	0.5
235.27101	0.5
357.15530	8.1
358.15903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	22.3
60.24372	9.4
81.89134	9.1
83.01389	20.9
98.20654	20.1
110.94367	9.1
121.02932	26.5
136.56151	10.2
171.10312	67.5
192.95901	18.7
200.32588	11.2
257.14185	10.4
305.48148	10.3
318.26996	11.3
357.13406	33.6
357.26492	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	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46995	0.8
57.03431	1.6
59.01376	5.7
60.05118	0.8
61.98833	0.8
69.03452	2.0
71.01378	5.1
71.04996	1.1
71.63300	1.3
78.89591	0.7
80.02666	1.7
83.01359	1.2
83.05004	1.5
85.02945	1.7
85.06590	1.9
87.04514	1.9
93.03438	4.6
93.07081	1.1
97.02956	1.8
97.06587	2.3
99.04518	2.0
108.02142	1.8
109.06578	26.4
111.04514	1.8
113.06077	3.1
117.54507	0.7
121.02932	2.1
121.06586	8.3
122.03774	1.3
123.04533	1.2
123.08157	16.6
125.06070	2.3
125.09710	13.4
127.11304	5.7
133.06583	1.4
136.01640	11.1
137.02461	1.5
137.06088	13.3
137.09724	1.5
138.03191	5.1
139.07597	6.3
139.11241	1.9
141.05563	7.0
149.06038	3.0
150.56984	0.8
151.03984	11.3
151.07590	3.0
152.07797	0.9
153.09155	1.4
155.07111	3.2
155.10739	2.3
165.09187	1.2
167.07117	100.0
168.07451	5.9
171.10251	41.9
172.10587	1.8
173.04538	4.9
183.10205	2.6
185.08125	6.6
187.09734	1.6
199.09729	2.7
201.11304	57.9
202.11613	3.8
211.09723	2.2
213.11288	2.3
217.10770	3.7
229.10776	14.0
230.11261	1.0
251.12607	1.0
277.18036	1.6
285.14990	2.6
293.17654	1.3
303.15973	10.3
306.48138	0.8
321.17029	40.4
322.17270	6.4
339.18082	9.8
340.18579	1.3
342.11057	1.7
357.13522	9.2
357.19217	5.3
358.13541	1.2
380.40427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01374	9.7
60.99298	3.1
65.23490	0.7
67.01881	10.2
69.03447	2.7
69.30589	3.5
69.31018	2.7
71.01381	5.9
72.89053	0.6
72.99313	0.7
73.02943	1.3
81.03451	2.2
83.05019	2.0
85.02969	1.3
87.00874	10.4
93.03450	70.0
94.03792	2.6
96.96016	1.0
99.04528	1.0
101.02402	1.1
106.06605	10.8
107.06963	8.0
109.02922	1.6
111.00893	0.9
111.04510	10.5
112.04883	0.8
113.02467	1.8
121.10222	2.1
123.04474	0.9
127.04007	0.6
129.01923	1.5
137.01543	0.6
137.02402	3.8
150.05580	4.8
151.05937	4.3
155.03485	5.4
165.07542	0.8
173.04527	100.0
174.04852	5.1
183.10246	14.4
184.10643	0.9
191.05563	4.0
193.07072	1.0
194.04578	1.9
195.04906	3.0
203.07140	0.8
237.06084	0.7
253.78334	0.8
297.07953	0.8
315.14285	0.8
357.15506	57.1
358.15668	6.3
361.50089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
59.01376	11.5
67.01878	0.6
69.03443	0.8
71.01370	2.1
71.58107	0.8
73.02932	1.2
75.88795	0.5
79.26755	0.5
81.03472	0.8
83.05026	2.2
85.02925	0.9
85.06606	0.8
87.00864	0.7
89.02444	1.4
93.03458	5.0
96.95982	2.4
101.02424	0.6
102.98537	0.6
111.04497	3.9
113.02430	0.5
121.10241	5.4
129.01918	0.6
137.02396	0.6
139.07686	0.6
139.11287	7.2
140.11607	0.6
149.02336	0.6
155.03471	4.4
163.11328	0.5
165.09215	0.8
173.04523	14.0
173.47610	0.5
174.04768	0.6
183.10243	100.0
184.10574	5.8
191.05611	3.3
207.10222	1.3
321.15533	1.8
357.06421	0.9
357.15530	22.9
358.15784	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	357.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02927	2.0
58.00571	2.3
59.01373	59.6
60.01739	2.0
61.98825	2.8
62.08734	2.1
68.99571	48.8
70.92085	2.4
70.92431	4.1
71.01370	43.2
73.02943	3.2
73.46112	2.2
75.00877	2.5
83.01393	2.6
85.02945	7.5
87.00851	2.4
89.02438	53.4
95.01399	2.6
101.02448	24.0
108.02134	3.4
112.98557	59.0
113.02432	19.5
119.03486	17.3
123.04520	5.8
129.67584	2.0
131.03481	2.5
135.06601	10.6
143.03397	3.6
149.04556	2.3
152.91138	2.0
159.03026	2.5
161.04482	10.3
179.05586	17.8
209.95422	2.1
226.45892	1.9
297.11880	100.0
298.12192	9.4
357.08664	2.0
373.08261	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60360	0.8
56.94639	0.8
57.03442	8.9
59.01376	63.6
61.98824	2.6
65.67889	0.7
67.01877	2.0
69.03457	10.2
71.01376	25.8
71.05009	2.0
71.62502	0.8
72.99303	1.8
73.02950	6.5
83.01371	3.0
83.05029	1.1
85.02943	9.7
87.00877	1.5
89.02435	19.3
93.03458	19.3
94.03785	0.8
95.01352	1.5
96.95984	3.6
98.02463	1.5
99.00882	2.1
101.01781	0.9
101.02438	16.8
102.02763	0.9
109.02922	1.0
111.04494	5.9
111.08146	2.4
113.02452	10.2
113.06065	1.3
114.33552	0.8
119.03507	7.0
121.02940	1.2
123.08192	1.7
125.06207	0.8
127.03964	1.1
129.01987	0.7
130.08734	4.7
136.01637	7.0
137.02451	13.7
138.01920	2.1
139.07628	2.6
139.11279	15.9
140.11574	1.1
143.03462	1.7
151.03981	7.7
155.03516	5.8
159.03035	1.3
161.04539	6.7
173.04536	31.8
174.04874	1.8
175.07423	0.9
177.09192	6.0
179.03465	2.4
179.05580	2.3
183.10242	100.0
184.10544	7.0
191.05586	4.1
195.10117	1.6
226.11948	0.9
269.11453	2.5
314.13403	2.7
327.08716	1.6
342.11084	4.4
357.11844	17.7
357.15488	17.4
358.12097	2.1
358.15875	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	357.1341
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01365	7.5
62.65736	2.1
67.01888	2.1
69.34868	17.8
71.01358	2.4
71.55868	1.9
93.03453	13.9
102.83033	2.1
108.02161	18.7
108.08179	59.5
121.02934	2.3
123.04523	32.3
130.08670	1.9
143.04980	2.2
145.02859	2.3
147.04430	5.6
148.05307	12.0
149.02402	2.9
149.06047	7.7
150.03195	10.6
152.07156	35.9
158.03711	7.5
159.04489	16.5
160.05301	24.3
161.05992	4.1
162.03183	7.3
164.04790	2.5
165.05511	3.1
166.08739	8.9
173.04568	27.4
173.06070	3.6
174.03195	7.5
175.03836	2.2
175.07642	7.7
176.04787	3.4
176.58803	2.0
177.05547	98.7
178.06317	27.7
180.04199	1.8
183.10182	3.7
187.03999	17.1
188.04762	24.7
190.06343	2.3
191.05478	3.3
191.07103	27.1
192.04237	4.4
192.07849	16.2
193.08661	2.5
194.08157	2.8
196.06108	35.5
203.07117	100.0
204.07397	7.5
206.05817	22.0
210.05342	12.0
216.94798	2.1
218.96402	2.0
219.06580	2.0
220.07402	5.1
221.08165	76.8
222.08499	4.5
223.20407	2.1
224.06897	15.8
238.07176	6.8
242.57619	2.2
251.07068	3.3
263.07132	2.5
280.07458	3.1
281.08014	4.4
291.03638	1.9
291.06665	6.4
296.10373	2.6
297.07565	5.1
298.09024	4.0
306.08875	2.3
309.07663	9.1
311.13052	3.9
312.10150	2.4
313.10788	6.8
321.11688	2.3
324.10065	6.8
327.12283	16.9
328.13031	2.6
339.12320	40.4
340.12637	8.6
357.13269	44.4
358.11020	3.2
358.14301	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	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01376	6.9
60.99292	0.3
61.98840	0.4
62.72142	0.3
67.01885	4.5
69.03445	1.1
69.41310	2.7
71.01374	4.1
73.02950	0.6
73.57716	0.4
75.20797	0.3
81.03432	0.9
83.01357	0.6
83.05016	1.2
85.02949	1.6
87.00851	0.5
89.02431	0.8
93.03449	26.1
94.03780	1.0
95.01459	0.5
96.96012	2.3
99.00860	0.5
101.02427	0.8
109.02937	1.0
111.00871	1.0
111.04514	4.6
112.42645	0.3
113.02434	1.1
120.99685	0.8
127.04017	0.6
129.10312	0.4
130.08742	0.9
135.08240	0.4
137.02429	5.1
139.07639	12.9
140.07965	0.6
147.00404	0.3
153.05545	1.5
155.03493	4.1
161.04544	1.1
165.09126	0.4
173.04527	100.0
174.04886	4.4
177.17441	0.4
183.06642	3.7
183.10225	1.8
187.48135	0.4
191.05630	2.6
207.10170	0.5
250.83046	0.4
276.63293	0.4
291.43896	0.3
357.07010	0.4
357.11850	10.6
357.15598	2.7
358.12106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.3
60.01666	0.8
61.98832	0.9
70.82970	1.2
71.01382	8.8
83.01402	0.7
85.02958	1.5
89.02431	6.6
92.84022	0.7
93.03459	1.3
101.02439	4.2
113.02441	2.5
119.03481	2.7
119.05009	2.1
121.02946	2.2
123.04517	1.8
124.01627	2.1
125.02515	0.6
130.08736	0.9
134.03746	2.1
135.04524	10.4
136.01591	0.8
136.05301	10.2
139.07637	1.7
150.03128	0.7
151.04002	3.2
151.07626	2.2
153.05592	1.3
155.15526	0.7
162.03226	20.9
163.03685	0.8
173.04549	2.4
174.04869	0.8
177.05560	34.8
178.05823	2.5
185.16600	0.7
191.05684	1.4
193.04987	0.7
195.06604	100.0
196.06938	6.9
357.11566	1.9
357.21432	2.8
358.19492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
59.01375	23.6
61.98822	0.5
64.48114	0.4
69.83760	0.5
70.47194	0.9
70.47591	1.1
71.01368	1.0
93.03457	4.7
108.02152	1.6
109.02990	0.5
121.02914	0.5
123.04523	0.6
134.06102	0.5
135.04515	100.0
136.04810	5.0
137.02438	3.5
149.02423	0.7
150.03220	4.9
150.06859	4.7
151.03975	3.8
153.01923	0.9
161.04556	0.6
162.03209	0.5
165.05551	5.9
173.04524	0.4
177.05557	1.1
179.03474	1.5
180.04245	1.4
195.06609	7.4
215.22169	0.5
357.08304	0.8
357.12094	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	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.1
62.93217	0.4
70.04003	1.5
71.01359	1.0
72.55109	0.3
81.37653	0.3
82.66417	0.3
85.02956	0.5
108.02158	2.0
113.02430	0.5
119.05013	2.1
121.02966	1.8
123.04527	2.7
124.01646	0.9
130.08673	0.6
134.03711	1.0
135.04512	8.4
136.01582	0.3
136.05292	12.0
137.05618	0.5
149.06030	0.3
150.03165	0.9
151.03983	1.9
151.07602	3.0
173.04536	0.8
177.05603	0.7
187.20418	0.3
191.05624	0.5
195.06612	100.0
196.06953	6.1
244.62355	0.3
357.11758	1.9
357.21225	0.6
358.12213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98824	100.0
71.19912	0.8
72.17169	0.4
114.78522	0.4
121.02962	1.3
221.15448	0.5
236.10625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	4.9
61.98826	100.0
69.49083	27.1
69.49491	9.6
79.62746	4.3
102.34226	4.5
121.02963	12.3
212.67360	5.1
235.84718	4.2
241.97784	4.5
268.18130	15.3
330.08908	4.2
356.19821	11.4
357.13586	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	356.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87497	16.1
59.01372	24.0
61.98826	74.8
62.88994	17.0
63.15314	18.2
63.82825	18.6
69.75045	100.0
76.56430	18.7
83.01395	35.7
84.19521	17.8
110.98911	16.4
116.00536	18.4
214.82962	17.2
229.92575	17.5
357.13321	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	357.0611
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.31558	0.3
53.27628	0.3
55.69217	0.3
58.91389	0.3
59.01372	1.3
60.30584	0.2
64.20064	0.2
71.58880	0.5
77.03981	0.4
93.03459	0.5
108.03861	0.3
118.05434	0.3
121.02945	100.0
122.03271	4.4
143.53557	0.3
165.01878	1.0
180.05786	1.8
181.06580	6.8
182.06859	0.8
199.07555	0.3
210.36215	0.2
213.78853	0.3
225.05539	6.0
242.30971	0.3
269.07999	0.3
271.07208	0.5
313.07178	9.1
313.10843	0.5
314.07422	1.2
335.33746	0.3
357.06119	39.7
358.06424	5.2
374.56744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2275
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.44573	1.4
59.01360	2.2
61.98822	3.0
65.33006	1.2
71.19991	1.6
72.12752	1.4
81.07154	1.8
85.02928	3.2
87.16710	1.3
92.13210	1.4
96.84107	1.3
122.03734	9.0
127.07612	1.7
135.04495	25.7
147.08138	3.5
149.06018	1.5
149.09688	6.9
151.07649	3.6
154.02710	2.9
161.09718	11.9
162.10037	1.4
163.07585	4.5
163.11263	54.4
164.08437	16.6
164.11589	4.8
165.09201	9.3
177.07620	3.4
177.09184	78.0
178.09929	21.1
179.10745	80.1
180.11096	5.1
183.10419	2.0
191.10773	13.6
193.08665	10.0
221.07233	1.4
280.14597	3.1
280.20401	1.5
298.15689	54.4
299.16013	5.8
307.16708	2.0
337.17535	2.6
337.21680	56.1
338.22183	8.2
340.20367	96.5
341.20731	12.7
355.22745	100.0
356.23151	13.4
368.99985	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	356.0985
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
52.36689	0.4
57.03447	0.7
59.01088	0.5
59.01371	6.3
59.49087	0.3
60.99297	0.9
61.98808	0.6
67.01887	2.3
69.03473	0.5
69.30886	2.4
69.31298	0.7
71.01380	2.8
73.02949	0.5
75.73756	0.4
81.03446	0.9
83.05003	0.6
85.02940	1.0
87.00868	2.7
93.03449	17.3
96.38686	0.4
98.20607	0.9
99.00880	0.4
99.04488	0.7
106.06619	100.0
107.06945	4.0
108.08203	6.0
111.04521	2.1
113.02429	2.1
119.05033	0.6
120.08189	0.9
128.03500	0.7
129.01923	0.6
130.06587	0.4
130.08727	0.6
131.03770	1.3
136.07631	0.7
137.02411	0.7
146.06114	0.5
150.05594	51.5
151.05933	2.3
155.03490	1.4
161.04472	0.3
164.07149	9.3
171.10257	0.7
173.04535	16.5
174.05560	0.6
183.10194	1.4
191.05588	1.2
192.06631	7.1
193.06969	0.6
194.04561	28.0
195.04910	1.8
236.05582	4.2
237.06012	0.4
279.94846	0.4
296.07721	4.0
297.07916	0.6
356.09787	9.7
356.20767	0.5
357.10757	0.5
357.15524	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	355.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72649	2.3
57.03444	6.8
59.01374	18.1
64.81480	2.2
67.01894	3.8
69.03439	4.3
71.01373	10.1
71.05009	3.8
73.02927	3.3
79.06152	2.5
79.74199	2.4
81.03430	3.8
83.05025	5.3
85.02947	4.5
85.06559	5.1
85.14684	2.3
87.00854	5.1
88.44757	2.6
91.05531	3.7
92.43707	3.1
93.03465	13.1
95.01403	2.9
95.05017	4.1
97.02929	5.7
97.06566	15.9
107.04995	3.4
108.02123	5.2
109.02936	6.2
109.06596	14.2
111.00855	3.7
111.04508	6.9
111.08160	9.3
113.06062	4.7
120.99630	3.0
121.06561	5.3
123.04455	4.0
123.08141	16.3
125.06090	13.3
125.09718	85.8
126.10031	2.7
127.07626	4.4
127.11283	6.1
129.01913	2.9
129.10323	10.0
135.03729	2.3
135.04533	22.7
137.06041	9.8
137.09691	4.6
139.07608	11.9
143.07124	19.0
147.04474	6.5
149.06059	4.5
153.05556	8.4
153.09183	9.4
154.02686	7.6
154.08727	2.6
155.10747	7.2
164.07124	11.3
165.05550	6.9
167.07129	20.7
169.08714	4.5
171.10150	12.7
171.11412	9.3
176.04007	84.2
176.54182	20.6
179.03494	25.3
183.06642	14.9
183.10223	8.1
187.09738	59.8
188.10144	4.1
191.05569	6.0
199.09738	11.1
201.11292	100.0
202.11694	6.7
211.09581	3.7
213.14917	4.9
218.72739	2.9
223.09743	5.6
227.12863	3.3
229.10770	3.3
233.16481	6.9
265.17953	6.0
291.16028	5.0
301.14270	6.1
309.16953	5.3
319.16605	55.1
320.16861	6.2
327.18109	6.5
337.16476	46.8
338.16739	4.0
355.17493	41.2
356.17676	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
67.43445	0.5
70.62373	0.9
70.62779	0.9
79.30950	0.4
82.46648	0.4
86.74178	0.4
93.03462	3.0
121.02941	1.1
131.81557	0.5
133.02942	1.5
134.03734	59.9
135.03999	2.5
137.02429	7.6
138.08499	0.4
139.04013	1.9
149.04874	1.0
149.06073	17.8
150.03226	0.8
150.06393	0.8
151.04016	0.9
173.04578	3.4
175.04021	0.8
178.02702	33.0
178.36179	0.5
179.03023	2.9
191.05585	1.7
192.05928	0.6
193.05038	100.0
194.05399	6.5
231.33929	0.5
345.44391	0.5
355.10355	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	355.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78154	1.2
54.16918	1.3
54.30891	1.1
54.61773	1.2
59.01376	100.0
65.03962	2.0
69.39066	2.2
69.39465	8.7
71.01382	10.7
73.02950	3.3
80.62425	1.4
83.01389	1.8
85.02958	5.9
85.89535	1.2
87.00864	3.1
89.02406	1.5
91.01905	1.7
93.03448	13.1
96.96014	11.1
99.00890	2.0
101.02428	9.3
107.05055	2.1
109.02942	4.6
111.04556	1.8
113.02451	4.7
118.95204	1.2
119.05020	1.4
135.00890	2.3
137.02446	1.5
137.09776	1.3
150.03203	5.2
151.03998	56.7
151.49190	1.2
152.04405	2.8
161.04515	6.9
167.01611	1.2
173.04546	11.9
191.05655	4.7
192.99632	1.8
220.99739	1.2
242.75479	1.3
257.07941	1.4
258.09412	1.2
269.10309	13.3
278.98157	1.3
355.05133	2.7
355.10233	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	353.1999
Annotation	Hexamidine
Peak:m/z	Relative Intensity
54.32493	0.5
59.01358	1.6
68.82586	0.5
70.77640	1.7
79.95730	8.7
80.96499	1.6
81.65165	0.6
83.86224	0.6
94.98092	1.1
95.95219	2.0
96.96000	69.8
105.82346	0.6
114.27985	0.7
122.97578	3.9
139.07941	0.5
163.11269	11.4
177.09183	9.6
178.09616	0.5
182.99654	0.5
191.05562	1.1
247.79788	0.6
300.87946	0.8
353.20004	100.0
354.20398	11.1
363.00797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14417	6.0
57.17639	5.5
59.01373	8.3
61.98829	100.0
67.24098	5.5
70.95832	12.0
95.55372	5.0
103.22708	5.6
129.92226	5.4
150.58696	5.3
157.29156	5.9
250.39854	5.4
265.91089	5.6
282.53098	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62840	0.5
69.81015	2.1
69.81426	1.0
75.93946	0.5
76.67620	0.6
93.03468	1.1
98.20567	1.1
106.04198	0.7
121.02970	1.8
129.47501	0.6
133.02950	1.5
134.03734	59.2
135.04063	3.3
137.02414	6.9
139.04028	2.0
143.81836	0.5
149.06073	17.4
149.99342	0.5
150.06371	0.9
160.01733	0.5
173.04567	1.3
175.04016	1.2
178.02695	31.7
179.03008	2.8
193.05038	100.0
194.05373	6.3
355.10367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1862
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
55.29053	1.5
55.81447	1.5
59.01389	7.1
61.98835	1.7
69.25804	7.1
69.26228	7.4
76.60207	1.3
96.95993	1.7
98.20646	2.8
166.99605	1.3
171.10265	15.4
191.05615	3.9
261.82510	1.5
277.21722	13.8
278.21945	1.9
295.22745	24.0
296.23080	2.4
353.18591	100.0
354.18900	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	353.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	47.7
59.14314	3.3
68.96549	3.5
69.50287	24.1
71.01381	35.0
71.20300	3.4
73.02945	29.9
85.02961	8.7
89.02437	42.5
99.00876	100.0
101.02417	7.6
105.81203	3.8
113.02438	12.0
114.01942	3.6
131.03468	12.6
149.04535	23.7
161.04605	4.1
173.04526	6.2
179.03523	4.0
191.05605	41.4
194.52682	3.6
203.05650	9.3
212.60495	3.4
261.61899	4.1
374.83652	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	353.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10131	3.4
59.01374	62.9
62.19419	2.9
69.26206	12.5
69.26644	17.8
69.82813	2.9
71.01384	40.3
73.02938	34.2
85.02930	11.8
89.02431	45.9
99.00875	100.0
101.02415	12.2
110.11463	3.2
113.02425	10.3
125.02451	5.3
131.03508	16.0
135.04526	7.6
149.04546	27.0
173.04518	8.8
178.02731	3.4
179.03543	7.5
191.05560	59.3
203.05557	10.0
210.80952	3.4
267.45059	3.1
298.92563	3.1
353.08777	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	353.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	5.0
59.01373	74.5
61.98829	4.4
69.80498	15.5
71.01369	38.9
73.02934	35.4
75.17191	3.7
77.53359	2.9
78.95907	3.4
80.29591	3.1
83.01395	3.6
83.75423	3.7
85.02952	8.5
89.02435	53.2
91.61112	3.8
93.03424	4.7
98.19946	5.5
99.00871	100.0
101.02442	7.5
103.04839	3.8
113.02412	10.5
116.68348	3.4
131.03494	20.0
135.04497	3.7
143.03415	4.5
149.04553	31.4
152.99570	5.8
155.03465	4.6
173.04533	7.2
179.03384	5.7
191.05598	67.1
203.05560	6.9
223.47240	3.7
248.68315	4.0
269.91098	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	353.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68537	0.3
59.01375	62.6
60.01709	0.6
61.98825	2.1
67.01902	0.7
71.01385	1.3
71.61836	0.6
73.02971	0.5
75.00864	0.5
81.03463	0.4
83.05055	0.4
85.02944	8.4
87.00892	2.4
89.02454	0.8
91.86317	0.4
93.03443	5.8
96.95994	0.8
101.02436	0.6
106.76911	0.5
109.02943	1.2
111.04516	1.5
124.78158	0.4
127.04000	1.7
131.07138	0.4
133.02904	0.8
133.76477	0.4
134.03772	0.5
135.04494	6.0
137.02422	0.7
146.06091	0.6
152.91772	0.6
155.03479	1.0
161.02417	1.8
163.00394	0.6
167.16956	0.4
171.02957	0.7
172.07410	0.4
173.04533	8.8
173.86220	0.4
174.05618	0.9
179.03476	5.0
191.05586	100.0
192.05916	5.2
225.83925	0.4
234.04002	0.5
254.96960	0.4
260.30707	0.4
268.46664	0.4
339.05130	0.9
353.08719	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	351.1702
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
50.48438	0.9
52.71673	0.9
55.37067	1.0
59.01387	6.4
63.08477	0.8
65.51511	0.9
66.15362	1.0
66.75397	1.0
71.63389	1.7
74.96178	1.3
84.42286	0.9
84.42786	1.0
121.10223	6.2
122.03480	0.9
148.39503	1.0
171.10265	15.4
172.10619	1.2
189.60306	1.0
231.21132	2.1
264.36813	1.0
275.20145	18.7
276.20377	1.5
279.39828	0.9
293.21234	9.6
310.59790	0.9
315.19351	1.4
328.37939	1.0
351.17041	100.0
352.17349	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54131	0.5
59.01377	100.0
60.01710	1.4
63.85922	0.4
67.01897	1.5
69.57634	0.4
69.57977	3.4
71.01382	1.1
75.04553	0.5
83.05029	0.5
85.02944	1.6
87.00893	1.8
93.03457	6.6
94.69260	0.5
96.96046	1.1
101.02455	0.9
105.03507	0.7
109.02972	1.0
111.04571	1.4
113.02468	0.7
121.02923	0.6
133.02953	5.5
134.03746	0.5
135.04507	4.0
137.02448	1.0
151.03967	0.6
152.03540	1.4
159.08527	0.6
161.02457	2.3
173.04532	10.0
173.05984	0.6
176.04034	1.0
177.01962	1.9
179.03549	1.6
191.05595	15.1
215.05658	1.2
240.04311	1.0
249.13425	0.6
339.05231	1.8
351.07019	1.3
351.14825	1.3
352.08011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	1.3
61.98840	1.5
70.76138	0.6
70.76472	1.2
71.01368	4.7
73.02957	1.5
85.02954	2.1
87.00875	0.8
89.02428	3.8
93.03480	1.9
99.08191	0.7
101.02445	3.6
105.03474	0.7
113.02472	2.3
119.03502	2.0
122.06142	0.9
133.02945	3.9
135.04533	1.0
143.03506	0.7
161.02431	0.6
161.04530	2.1
166.05090	0.6
173.04503	4.8
177.01967	1.7
179.05730	0.8
191.05638	3.5
215.05971	0.5
235.08459	0.7
279.87509	0.6
291.14651	2.3
307.13055	2.6
351.08203	0.8
351.12122	2.9
351.16693	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	351.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	47.9
61.98846	2.8
71.01389	9.8
71.26300	1.3
71.61331	1.2
71.61712	2.1
73.02914	2.2
78.95885	4.1
82.95408	2.8
84.95085	1.7
85.02917	4.9
87.00859	3.0
89.02450	7.2
93.03451	5.8
96.96006	4.6
96.96947	6.2
100.55386	1.5
101.02433	5.3
105.03442	1.5
108.02147	4.8
109.02944	50.9
111.04489	1.9
113.02427	3.9
117.20254	1.3
119.03496	2.9
129.05597	2.4
133.02934	8.5
135.04521	4.4
144.04527	23.1
145.04881	30.8
151.03967	5.7
152.01195	3.7
153.01921	100.0
154.02286	2.6
161.04501	2.3
173.04529	8.8
177.01958	2.6
189.05652	1.5
191.05582	9.1
215.05484	2.1
216.90610	1.6
291.10764	7.4
310.23035	1.5
315.07175	27.1
316.07364	2.5
316.33539	1.4
351.07190	2.9
351.12247	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	351.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59330	1.2
57.03436	1.7
59.01374	35.2
61.98830	2.5
67.01869	3.7
69.03476	1.6
70.09120	5.5
71.01378	14.8
72.22660	1.2
73.02939	3.6
75.00880	2.2
80.05054	10.4
80.35936	1.1
81.03469	1.8
83.01408	1.9
83.05010	1.7
85.02943	13.6
87.00873	5.8
88.95671	1.2
89.02425	5.6
92.05051	24.4
93.03449	19.7
94.02957	1.8
94.06617	5.5
95.01409	1.5
96.95994	2.3
99.00887	1.9
101.02428	9.5
101.06093	5.8
102.02782	1.5
105.03452	3.3
106.06644	2.2
108.04559	10.0
109.02957	3.5
110.06110	8.0
111.04497	4.7
113.02433	7.0
119.03480	1.8
120.04552	10.4
122.02483	3.7
122.06107	42.3
122.96805	1.2
127.03985	2.5
132.04497	2.2
133.02942	20.2
135.04489	8.0
136.04024	7.9
137.02408	1.9
138.05600	41.1
140.07204	2.2
148.04005	1.4
150.03096	1.4
150.05583	25.9
152.03510	2.2
155.03429	1.9
161.04588	1.6
166.05075	19.2
167.05846	5.7
168.06642	28.2
173.04523	28.6
176.03967	2.0
177.01988	8.0
179.03494	3.9
182.04562	2.9
189.11220	1.4
191.05591	74.2
194.04555	4.0
202.08704	1.5
202.12234	1.7
204.06587	3.0
210.04056	15.5
212.05614	100.0
213.05933	5.8
215.05533	3.8
229.09807	1.3
235.08603	2.8
243.05608	2.1
246.30171	1.3
249.10081	2.4
251.07056	2.1
264.04257	1.7
264.12396	2.0
265.05157	2.7
267.06540	3.7
287.37125	1.3
289.11884	5.4
290.12659	1.3
293.04510	2.5
295.06128	4.2
307.12988	19.3
308.13281	2.1
311.05603	1.8
321.04294	2.4
333.10861	1.4
337.03387	6.4
338.03793	1.4
339.05063	13.8
351.07181	4.2
351.12006	29.4
351.16391	4.5
351.20102	8.5
352.07977	1.7
352.12277	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	349.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20937	10.3
59.01374	52.7
61.98823	13.9
71.63052	12.5
92.48526	12.6
96.96001	27.4
99.00948	12.0
142.79332	11.1
143.93810	10.8
267.19635	18.7
277.35010	11.6
311.22247	100.0
313.23492	21.5
349.16840	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	350.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
71.61147	0.3
71.61492	0.3
83.85242	0.2
91.71339	0.2
96.96967	0.7
106.89764	0.2
109.02956	0.8
144.04539	100.0
145.03821	0.4
145.04887	5.8
148.02876	0.2
153.01920	2.4
211.20903	0.3
228.06644	0.3
306.09888	1.2
315.07120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	3.1
59.01374	39.9
61.98826	85.5
71.01373	2.3
71.84039	1.4
93.03457	3.1
96.96001	2.3
99.60009	1.5
127.76299	1.5
133.02971	1.8
173.04562	5.9
177.01999	1.6
191.05659	2.1
209.11731	2.2
225.14888	3.4
227.12871	20.7
228.13144	2.2
269.05634	1.7
269.13879	4.7
287.14975	100.0
288.15317	10.3
303.33051	1.6
350.19199	3.4
351.14713	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	350.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19730	3.1
56.07583	3.1
57.98870	3.2
59.01377	21.8
61.98827	100.0
69.02982	2.9
70.35434	2.7
71.00522	7.2
144.73830	2.9
168.13940	8.7
186.95540	5.4
192.95793	15.4
195.13914	4.5
197.80399	2.9
231.10161	3.4
272.96033	2.9
278.80508	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	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01874	2.1
57.03442	3.0
58.00592	3.4
59.01375	100.0
60.01716	1.0
61.98822	1.1
69.03449	0.8
71.01378	71.2
71.05014	0.5
71.07796	0.9
71.58678	0.4
72.01732	1.4
72.99298	4.4
73.02940	6.8
81.04975	0.4
83.01380	4.9
85.02945	17.5
87.00874	3.9
87.04534	1.0
89.02438	65.9
90.02771	1.3
95.01379	5.2
96.47681	0.4
97.02967	0.7
97.06533	0.4
99.00884	2.7
99.04523	0.7
101.02437	46.7
101.34380	0.4
102.02760	1.1
107.55022	0.4
113.02438	29.2
114.02782	0.5
115.03969	0.5
119.03491	30.0
120.03864	0.6
125.02436	1.5
131.03490	3.5
143.03485	6.1
147.34848	0.4
149.04539	2.0
150.27031	0.4
159.02945	2.0
161.03201	0.8
161.04541	15.7
162.04906	0.6
179.05597	11.8
179.07173	0.7
180.06001	0.7
185.11740	0.5
187.13374	9.9
188.13652	0.5
260.46240	0.4
287.10312	0.6
349.18616	22.7
350.19064	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	349.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47097	18.4
59.01376	100.0
69.05478	16.7
69.50716	93.0
69.51138	49.1
96.96021	24.0
110.87284	17.1
136.26450	18.5
139.11284	22.0
145.11232	18.2
165.41655	19.7
218.58368	18.1
292.81149	18.0
293.21103	18.8
311.22205	76.1
332.74234	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	348.9857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64141	0.3
59.01369	0.6
61.98823	100.0
62.98521	0.4
63.99262	0.6
71.61599	0.3
121.51102	0.2
162.98479	1.3
201.65825	0.2
203.99983	0.6
205.00055	1.6
205.99736	2.7
206.97420	67.8
207.97520	6.0
314.15836	0.3
348.98456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58297	0.5
56.19201	0.5
58.99597	0.7
59.01375	100.0
60.01715	1.3
61.98811	0.9
64.33154	0.5
71.01382	10.8
71.58894	1.1
85.02961	0.9
85.03928	0.7
89.02435	1.6
101.02457	2.3
102.98619	1.5
103.04009	3.0
113.02461	1.4
137.02475	0.8
147.62776	0.6
157.05077	2.2
173.04582	1.3
177.05960	1.2
191.05591	0.8
207.74309	0.6
217.13397	0.7
247.08250	3.1
349.13986	1.9
349.18863	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	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42149	0.6
56.84136	0.5
59.01376	100.0
60.01717	0.8
61.98829	1.1
66.21011	0.5
71.01378	2.5
72.97320	0.5
73.02975	1.2
73.07771	0.5
85.02921	0.6
89.02436	1.3
96.96014	0.7
101.02417	2.6
113.02457	1.2
119.03532	0.9
129.31552	0.5
138.62694	0.6
165.60965	0.5
165.79811	0.6
206.52068	0.5
261.11728	1.2
268.27066	0.5
314.79727	0.5
339.39728	0.6
349.09756	0.7
349.13104	2.9
349.18796	1.3
350.13547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94984	0.4
58.88811	0.3
59.01375	6.2
61.98517	0.7
61.98826	10.6
70.16610	1.3
71.01390	3.0
73.02942	3.4
75.00889	0.6
83.01385	0.9
85.02962	0.8
95.77760	0.4
98.20564	0.5
101.02438	1.3
113.02444	1.0
128.89645	0.4
133.46361	0.4
139.08862	0.4
143.10765	100.0
144.11102	4.8
157.12309	1.9
185.11852	0.9
197.11772	1.0
215.12833	0.7
250.60214	0.4
286.15549	0.7
289.97757	0.4
303.06589	0.4
304.16812	0.6
347.18927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01698	1.0
70.20824	3.5
86.65162	0.7
96.96035	0.9
103.74129	0.9
160.49579	0.9
173.04523	1.1
200.00148	0.8
269.04388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0554
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
59.01373	0.9
61.98816	1.1
62.96394	0.6
64.61034	0.3
71.01392	0.7
71.31529	0.9
78.95895	62.8
92.35307	0.4
96.96952	13.9
97.03654	0.4
97.76138	0.3
107.03643	2.6
112.92184	0.4
120.01105	0.4
120.96944	5.6
128.36781	0.4
134.04715	37.7
135.05081	1.1
141.01778	1.2
142.99750	0.4
148.06293	2.3
150.98022	0.7
152.01259	0.4
162.98038	0.5
173.04485	1.0
184.13075	0.4
192.99075	0.5
211.00107	100.0
212.00529	2.6
304.07928	1.4
310.11420	0.6
313.07745	0.4
338.54715	0.4
346.05487	14.9
346.08905	1.0
347.05811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.1
59.01369	52.1
61.98831	46.4
67.01886	6.2
70.66570	12.7
71.01382	26.5
84.59848	4.2
85.02930	15.2
85.06589	4.8
87.00858	8.9
89.02419	10.2
93.03465	52.0
96.95985	9.8
101.02457	14.9
111.04501	9.9
113.02447	9.1
119.03513	8.4
119.05032	12.8
123.04536	11.3
129.05571	20.8
131.05038	5.9
133.65039	4.6
135.04466	6.3
137.02444	11.9
149.06055	4.2
160.03941	25.1
161.04631	5.6
173.04517	100.0
173.08139	9.7
185.02217	19.9
191.05609	39.4
204.02971	11.5
227.89996	5.3
243.36990	4.5
253.07254	5.3
265.07117	22.6
271.64276	4.8
347.09503	5.1
347.13321	27.3
347.17111	9.7
369.62033	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01694	1.2
61.98822	4.1
71.01369	8.9
71.62232	2.5
73.02950	3.0
74.02457	8.1
78.75381	1.2
78.95898	4.5
79.74185	1.3
85.02944	3.7
89.02410	2.1
89.64259	1.2
93.03455	3.0
96.96004	2.5
97.02946	1.6
101.02417	6.8
111.04529	1.7
111.64945	1.3
113.02435	5.5
115.55961	1.3
119.04979	2.3
125.02412	6.4
129.05573	4.0
147.06572	2.9
155.03522	1.6
161.04529	11.4
173.04495	11.2
173.08167	5.2
174.10938	1.5
191.05571	3.4
201.16214	1.2
207.00029	1.2
214.79555	1.4
231.73235	1.3
311.07404	1.5
347.13336	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	347.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31753	0.4
56.57874	0.5
57.03393	1.9
59.01375	14.8
61.98790	0.7
62.71286	0.4
67.01887	4.2
69.03419	0.8
69.95663	2.1
71.01382	5.9
73.02922	0.9
75.44001	0.4
77.45815	0.5
81.03413	1.1
83.01360	0.5
83.05025	3.9
85.02908	1.6
87.00832	1.1
89.02388	1.9
93.03452	25.2
94.03749	0.8
96.95998	2.1
101.02397	1.6
108.02123	0.5
109.02910	1.6
109.06539	0.9
111.00796	0.6
111.04512	6.3
111.08150	20.9
112.08438	1.0
113.02417	1.7
114.05551	0.5
115.00298	0.4
119.03395	0.5
123.08084	0.4
125.51781	0.5
127.03988	0.9
129.09184	1.3
133.02931	0.7
133.06891	0.5
135.04509	2.1
137.02441	5.1
155.03474	4.8
161.04553	0.7
167.07117	1.0
168.05484	0.4
173.04530	100.0
173.08153	26.8
174.04869	4.7
174.08437	1.0
176.04085	0.4
179.03503	0.8
184.02458	0.4
191.05602	1.9
196.02507	0.7
199.87967	0.5
216.90828	0.4
225.11211	0.5
229.04404	0.6
229.54431	2.0
231.11444	0.6
243.06075	0.5
243.56160	1.2
258.35724	0.4
259.10797	0.9
259.13504	0.8
286.04489	0.5
287.18674	0.5
305.16174	0.9
312.01413	0.4
347.13556	15.4
347.17148	1.1
348.14035	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42560	3.5
55.23403	3.4
59.01367	12.2
61.98839	4.8
63.86734	4.0
69.32753	36.4
98.20633	7.7
117.98148	3.8
123.04502	8.5
247.20673	5.8
264.34314	4.1
290.97073	6.9
291.19635	100.0
292.19980	11.5
309.20724	90.9
310.21027	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28458	100.0
70.35492	11.2
71.29765	11.0
83.05025	12.0
109.06509	11.6
137.09735	12.5
171.10254	17.4
176.73932	11.9
251.26228	12.4
291.19577	24.9
309.20633	86.6
310.20911	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78548	0.3
59.01374	19.8
60.01711	1.6
61.01810	0.6
61.98824	100.0
69.85065	1.8
87.79865	0.3
156.10452	0.4
157.03554	0.5
158.03661	0.6
159.03366	1.0
160.03667	0.4
189.14552	0.4
201.02539	2.4
202.02698	8.2
203.02266	9.5
203.99977	41.0
204.02589	2.7
205.00121	3.8
205.02988	0.5
255.36046	0.4
341.83026	0.3
344.34912	0.4
346.00827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96265	1.6
59.01371	19.8
61.98819	6.7
71.01382	9.2
71.16488	1.5
71.61892	2.3
74.02457	3.0
77.64110	1.5
78.95896	100.0
83.75027	1.5
83.92992	1.6
85.02942	5.5
87.00861	3.0
89.02435	7.9
93.03467	4.8
95.01398	2.3
96.96961	25.6
99.00867	3.2
101.02434	5.7
107.03615	2.9
111.00900	2.8
111.01955	2.5
112.98778	4.0
113.02451	4.1
119.03487	4.2
120.96957	5.8
121.02947	4.1
123.00858	2.0
123.04494	3.7
124.01637	2.3
127.07626	2.1
129.05511	1.9
134.03717	2.4
134.04726	36.5
135.04497	2.9
139.00311	1.8
139.03972	3.8
140.07121	1.9
141.01814	2.2
142.99817	3.5
148.06305	14.1
165.01883	2.3
171.06567	8.3
173.00897	6.6
173.04494	12.6
181.05017	2.1
183.03035	2.3
183.06645	2.6
186.12328	2.2
191.05577	2.5
201.02582	3.7
203.02177	2.9
211.00105	91.4
213.05063	2.6
304.07874	5.3
309.08493	2.8
309.11844	20.4
310.11566	6.7
345.09143	13.1
345.17801	7.2
346.05502	31.3
346.09171	4.0
346.16086	4.8
356.54169	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	345.1087
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.32685	0.6
59.01378	3.2
60.70714	0.5
66.69169	0.6
71.01370	0.8
71.62721	0.6
82.03054	0.6
84.04545	0.8
93.03449	1.3
94.06609	0.8
95.03764	1.9
96.08170	0.7
96.95984	1.3
104.05077	1.2
106.06616	4.3
118.98029	0.7
120.99625	1.6
122.06101	3.1
123.03263	1.1
124.07659	5.4
132.04543	33.8
133.05345	18.5
134.06140	4.9
138.05557	0.9
148.04042	1.1
150.05562	1.3
165.04300	21.6
165.28365	0.6
166.04620	1.3
173.04555	2.2
176.03532	1.0
177.04285	2.8
178.05067	1.0
181.94214	0.6
184.07671	0.8
185.08568	1.1
186.09192	3.5
191.05573	0.7
198.09279	0.7
200.67892	0.5
209.03328	3.8
209.11777	0.7
213.06673	2.6
214.12396	6.4
215.11852	4.9
226.07297	0.8
227.08206	1.0
229.09813	3.5
239.71445	0.6
240.10460	0.8
241.09816	3.4
255.11383	1.2
257.12912	21.1
258.13223	2.2
283.10867	8.0
301.11890	16.0
302.12137	1.4
327.09744	2.0
345.10864	100.0
346.11240	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	345.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.8
71.01373	6.7
71.04982	1.0
73.08141	0.8
74.64590	0.8
79.95728	0.9
84.04522	1.6
85.01157	1.0
85.02938	1.5
89.02440	5.8
93.03444	6.2
94.02974	1.3
95.03749	3.4
96.04507	1.2
96.08144	1.2
96.96002	8.6
97.06590	1.6
101.02429	4.2
104.05033	2.1
106.06606	7.1
111.04536	1.0
112.04055	0.9
113.02429	2.9
115.65845	0.8
118.98078	1.0
119.03481	2.2
120.99651	3.4
122.02501	1.0
122.06100	2.5
124.07645	7.9
132.04539	47.6
133.02919	2.9
133.05342	24.8
134.03749	1.1
134.06123	7.8
135.04495	12.0
138.05615	1.2
143.57484	0.8
148.03992	3.1
150.05582	2.1
160.01672	2.0
165.04283	25.6
166.04588	1.9
170.06256	0.8
173.04536	5.0
175.03989	3.3
176.03911	3.8
177.04305	5.1
178.05063	1.9
179.03455	8.5
183.04886	1.1
184.07802	1.1
185.08476	1.3
186.09224	4.4
191.05573	7.3
198.09261	1.2
209.03235	7.6
213.06631	5.1
214.12361	7.8
215.11833	9.0
221.95377	0.9
227.08177	1.4
229.09727	5.0
240.10275	2.2
241.09865	4.5
243.12241	1.6
251.11720	2.4
257.12909	32.2
258.06696	0.9
258.13251	3.3
265.14413	6.7
269.12878	1.4
276.72336	1.0
283.10803	8.7
285.13306	1.4
301.11890	27.7
302.12122	2.2
313.12070	1.5
327.09885	2.3
337.09436	1.3
341.08759	1.1
345.10767	100.0
345.14963	3.8
346.11218	12.5
360.32318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93727	0.3
69.57416	0.3
71.08380	0.7
79.95732	6.5
80.96504	0.5
90.65807	0.3
93.03464	0.6
96.96003	0.5
107.05045	0.6
113.98911	0.3
119.05018	100.0
120.05366	4.7
122.65604	0.4
131.12311	0.4
135.04515	13.5
136.04842	0.7
163.02687	0.6
163.03990	7.3
164.04349	0.4
199.00682	35.5
200.00999	1.9
215.00179	20.1
216.00526	0.9
227.76385	0.3
242.99670	3.2
345.06433	29.2
345.22498	0.5
346.06879	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96265	1.6
59.01371	19.8
61.98819	6.7
71.01382	9.2
71.16488	1.5
71.61892	2.3
74.02457	3.0
77.64110	1.5
78.95896	100.0
83.75027	1.5
83.92992	1.6
85.02942	5.5
87.00861	3.0
89.02435	7.9
93.03467	4.8
95.01398	2.3
96.96961	25.6
99.00867	3.2
101.02434	5.7
107.03615	2.9
111.00900	2.8
111.01955	2.5
112.98778	4.0
113.02451	4.1
119.03487	4.2
120.96957	5.8
121.02947	4.1
123.00858	2.0
123.04494	3.7
124.01637	2.3
127.07626	2.1
129.05511	1.9
134.03717	2.4
134.04726	36.5
135.04497	2.9
139.00311	1.8
139.03972	3.8
140.07121	1.9
141.01814	2.2
142.99817	3.5
148.06305	14.1
165.01883	2.3
171.06567	8.3
173.00897	6.6
173.04494	12.6
181.05017	2.1
183.03035	2.3
183.06645	2.6
186.12328	2.2
191.05577	2.5
201.02582	3.7
203.02177	2.9
211.00105	91.4
213.05063	2.6
304.07874	5.3
309.08493	2.8
309.11844	20.4
310.11566	6.7
345.09143	13.1
345.17801	7.2
346.05502	31.3
346.09171	4.0
346.16086	4.8
356.54169	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01380	0.9
60.05608	0.5
71.62766	0.5
71.63112	0.7
75.72302	0.5
121.10228	10.9
122.10507	0.6
125.09711	0.8
127.11277	2.5
137.09727	1.7
139.11287	1.9
152.53902	0.4
153.09201	0.6
171.10255	63.5
172.10562	4.1
190.57671	0.4
201.02357	0.7
236.90054	0.5
282.76663	0.6
293.21289	1.0
305.17508	0.8
314.98743	0.5
343.24847	100.0
344.25214	11.8
365.91159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.171
Annotation	Europine N-oxide
Peak:m/z	Relative Intensity
50.90920	0.6
57.03466	0.6
59.01374	17.7
65.28112	0.6
67.01851	0.6
71.01380	3.4
71.05045	0.6
72.04542	3.6
74.02467	100.0
75.02801	1.0
85.02946	2.7
87.00860	0.8
89.02431	4.9
93.03455	3.6
96.95983	0.7
97.06566	0.6
98.20648	1.3
101.02437	2.7
108.04556	0.8
111.04528	1.0
113.02443	1.7
116.03530	44.3
118.70386	0.6
119.03498	1.6
120.99654	2.5
121.10236	1.7
128.84096	0.5
161.02402	0.6
165.04301	0.6
165.09235	0.8
173.04521	2.7
191.05582	17.7
209.11870	1.1
225.14944	2.2
227.12819	5.4
228.13278	0.7
257.12912	0.6
264.16101	1.3
266.14050	1.9
282.17041	1.3
284.14972	6.1
301.11713	0.9
313.11948	0.7
314.85272	0.6
326.16144	4.7
344.17084	72.4
345.10559	1.6
345.15640	6.3
345.22028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2485
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03465	0.6
59.01365	1.3
60.56109	0.5
62.58600	0.5
64.66811	0.5
68.72579	0.5
69.28359	5.2
80.23180	0.5
83.05006	0.9
93.44842	0.5
97.06627	0.8
98.19888	0.9
99.08164	4.5
104.08765	0.6
121.10220	5.1
125.09696	2.2
125.85369	0.5
127.11273	1.2
128.12691	0.5
137.09741	1.3
139.11259	1.1
145.37804	0.5
151.11295	0.7
165.12778	0.9
171.10252	34.7
172.10596	2.8
182.84613	0.5
193.12318	8.0
201.11270	0.8
211.13390	1.4
225.14928	10.2
226.15114	0.8
243.15999	3.4
275.56097	0.6
293.21164	1.8
307.22684	0.6
325.23569	0.6
343.24847	100.0
344.25174	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	343.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
57.32695	0.3
59.01372	1.3
69.03446	1.2
69.55087	2.1
81.03404	0.4
81.09678	0.3
83.05020	0.8
87.26382	0.3
94.82281	0.3
97.06611	0.6
98.57455	0.5
98.97073	0.4
99.08146	6.2
109.06567	1.2
113.09719	0.5
121.10222	3.3
123.08178	0.4
124.89407	0.4
125.09712	1.9
127.11261	0.7
137.09698	1.3
139.11281	1.3
149.13315	0.4
149.51022	0.3
151.11292	0.4
153.09254	0.4
165.12805	1.0
167.10733	0.4
171.10252	22.5
172.10571	1.5
175.11253	0.9
185.11778	0.4
193.12321	12.6
193.14075	0.6
194.12651	0.8
197.15471	0.5
211.13419	2.2
211.15071	0.4
225.14935	15.3
226.15260	0.8
243.15970	5.9
259.16672	0.3
289.18069	11.4
290.18484	0.8
293.21240	2.5
307.19131	1.1
325.24014	0.6
343.24844	100.0
344.25162	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	67.2
70.16930	8.6
81.03471	10.1
83.05016	27.7
98.20614	24.4
102.99389	7.7
109.93964	7.4
127.11253	13.6
139.11295	11.7
169.24060	8.3
171.10229	30.6
178.94995	8.9
201.02678	13.0
201.11348	59.2
215.16672	8.6
289.17975	12.1
297.97339	14.3
307.19058	17.9
312.99811	25.4
328.02103	26.6
343.04633	19.3
343.21185	19.1
343.24835	100.0
344.25436	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08389	6.0
55.80058	6.1
59.01373	71.9
67.43451	6.1
71.10007	8.1
71.10326	9.8
78.95887	8.8
121.60903	6.3
125.09735	9.1
132.96185	6.4
143.18732	6.4
171.10196	8.9
199.09676	9.4
201.02538	18.5
247.81392	7.0
287.16583	9.0
289.18018	17.4
297.97571	10.8
305.17471	11.5
307.19110	100.0
312.99841	23.5
328.02045	18.0
343.04626	11.1
351.25690	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	343.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03374	3.2
59.01315	34.9
59.01644	2.8
61.98777	0.7
63.06855	0.6
69.03403	1.3
69.54752	4.5
71.01323	1.4
71.04954	2.3
72.99274	0.7
73.02882	0.9
83.04949	0.9
84.02117	0.8
85.02892	1.9
85.06583	6.0
87.04469	1.0
88.16552	0.6
89.70676	0.7
93.03418	0.6
95.74364	0.7
96.95940	1.0
97.02927	0.7
97.06509	2.6
99.08045	0.7
104.20261	0.7
111.08121	0.7
115.07642	17.6
116.07117	0.8
116.07939	0.9
117.01840	0.8
129.09135	1.9
139.11320	4.1
169.12361	0.7
171.10225	1.6
181.12122	0.9
191.48029	0.6
197.11772	1.0
201.11241	1.1
211.13316	1.1
213.09503	1.9
229.14259	0.8
255.19466	1.0
270.09253	0.7
283.19162	18.9
284.19415	1.4
301.20178	100.0
302.20520	9.7
313.00061	1.5
313.03555	1.9
325.19925	1.2
328.05740	1.3
343.04703	1.0
343.08246	2.7
343.12064	1.4
343.21237	40.4
344.21463	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	343.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19826	0.5
56.47613	0.6
59.01375	100.0
59.98080	0.5
60.01707	0.7
71.01379	3.5
73.36216	0.5
78.95910	1.1
85.02938	1.3
89.02440	5.5
89.27644	0.5
96.96031	0.8
96.96952	3.3
98.19847	1.3
101.02449	1.8
106.21030	0.5
113.02458	1.4
117.69004	0.6
119.03500	2.9
120.99657	1.7
154.98044	0.7
173.04567	1.4
179.05496	1.0
182.97589	0.6
191.05539	0.9
247.88792	0.6
302.00043	0.7
343.13937	0.9
343.21317	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	343.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01372	2.7
60.99286	0.5
61.98808	0.4
62.84591	0.4
65.03966	0.4
67.01883	4.2
69.03435	0.9
70.99520	0.8
71.01372	2.8
71.05020	0.5
81.03453	0.6
83.05013	0.8
85.02957	1.1
93.03450	27.4
94.03792	0.8
99.00915	0.5
104.58505	0.4
109.02920	0.8
111.00861	1.0
111.04510	4.5
118.98073	1.3
123.08151	0.5
125.09733	4.1
127.04003	0.8
135.04457	0.4
137.02422	5.4
155.03488	4.4
169.08690	6.7
170.09036	0.5
173.04527	100.0
174.04881	4.6
191.05594	3.7
245.97896	0.4
343.13971	9.3
343.20795	0.5
344.14169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08723	0.6
55.82743	0.6
57.80742	0.6
59.01377	100.0
60.01711	1.0
60.18600	0.7
71.01382	4.3
71.63266	1.1
72.99288	0.8
81.03443	0.7
85.02950	1.3
89.02438	4.6
93.03456	1.4
96.96007	1.9
99.02764	1.5
101.02480	1.8
113.02460	1.9
119.03484	1.5
120.99654	7.4
134.09363	0.7
167.08977	4.5
173.04610	1.3
178.48927	0.7
179.05640	0.9
191.05630	1.4
211.08063	3.4
255.07037	2.8
343.08170	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	343.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20148	0.5
57.03429	1.1
59.01374	3.0
65.07476	0.5
67.01888	4.8
69.03447	1.0
69.35498	0.4
69.50042	3.6
71.01363	3.2
81.03447	1.1
83.05029	1.6
85.02952	0.6
90.87595	0.6
93.03451	28.9
94.03783	0.9
106.28827	0.5
106.57375	0.5
109.02947	1.2
111.00873	1.1
111.04519	4.6
121.02874	0.5
137.02434	4.2
155.03496	5.0
169.08702	16.3
169.74442	0.6
173.04543	100.0
174.04875	4.9
259.10843	0.7
272.65622	0.6
325.16144	0.5
343.13995	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	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14787	0.4
57.01909	0.4
57.03441	0.9
58.00568	0.5
59.01371	6.4
60.99296	0.8
61.98820	0.6
67.01887	5.0
69.03458	0.5
71.01379	3.8
71.62569	0.5
71.62972	0.5
72.99291	0.6
73.02929	0.4
81.03447	0.8
83.05011	1.3
85.02934	1.3
87.00877	0.6
93.03448	26.8
94.03819	0.5
101.02442	0.5
102.74144	0.4
109.02928	1.1
111.00883	1.2
111.04511	4.1
113.02468	0.6
115.22187	0.5
118.98055	1.7
119.05019	0.9
120.99718	0.5
121.02952	0.8
122.03729	1.8
125.09701	0.5
127.03964	0.7
130.08736	1.1
135.04549	2.1
136.05295	3.3
137.02426	4.9
137.06064	1.5
155.03473	4.8
169.08687	23.7
170.09030	1.5
173.04527	100.0
174.04884	4.0
179.03531	0.5
179.07094	0.6
180.04225	4.0
181.04979	1.5
181.08684	19.7
182.09023	1.0
191.05597	1.6
269.44040	0.4
295.09604	0.5
299.10071	0.7
309.14563	1.3
326.17096	1.0
343.10162	2.8
343.13992	8.5
344.14059	1.2
344.18085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01864	2.7
57.03447	1.5
58.00575	0.8
58.79387	0.7
59.01091	1.3
59.01376	17.0
60.97538	0.8
61.98810	0.9
63.72137	0.7
67.01877	0.9
70.08652	1.9
71.00983	1.3
71.01377	19.3
72.99313	1.0
73.02939	7.8
74.99088	3.3
75.00857	1.3
77.14120	0.7
81.03508	0.8
83.01388	3.7
85.02944	10.9
87.00855	3.4
89.02445	3.4
93.03448	28.7
93.43839	0.8
94.03755	1.3
95.01392	1.9
96.99280	0.9
99.00843	3.7
99.50079	0.8
101.02431	16.5
102.98600	2.9
104.43192	0.7
108.02125	1.4
109.02926	1.2
111.00858	1.1
113.02425	8.1
114.98599	1.2
116.07196	0.9
118.98077	4.2
119.03510	1.3
119.05004	1.2
120.99623	3.0
121.02969	3.3
123.00835	7.0
124.07620	1.2
125.02405	0.8
125.09740	1.0
130.08708	3.1
135.04488	2.3
136.01686	2.6
137.02431	75.0
137.06027	1.5
138.03244	5.7
139.03978	1.9
143.03490	0.8
149.02373	1.0
149.06093	1.0
153.05563	4.8
161.04510	3.6
163.03981	1.1
166.02670	1.1
166.99837	0.8
169.08746	5.2
173.04573	5.9
179.03493	3.3
179.07155	0.9
181.05080	2.3
181.08681	1.2
182.02234	5.1
185.16483	1.0
191.03821	1.2
191.05548	6.2
197.04538	17.4
198.04886	0.9
221.04549	2.4
223.08180	2.0
223.13472	0.9
281.06818	1.7
307.13904	2.7
309.14877	1.0
324.54260	0.9
326.17294	1.1
343.10294	100.0
344.10742	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	343.1031
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01095	0.8
59.01377	11.0
63.91437	0.5
64.75455	0.6
70.94453	0.8
70.94769	1.0
71.01378	7.4
73.02941	1.1
75.00852	2.0
85.02933	1.7
87.00883	2.0
89.02435	3.9
93.03480	1.0
93.48174	0.5
95.01382	1.4
101.02450	4.0
108.02164	7.3
109.02284	1.0
109.02951	9.3
113.02438	2.0
119.03487	0.9
121.02931	1.2
122.03728	3.6
123.00919	3.4
123.04511	9.6
124.01647	4.4
125.02377	0.6
129.01903	1.2
135.04515	3.0
137.02423	4.9
137.06064	2.5
138.03178	1.3
139.03986	4.6
141.04729	0.6
148.01683	1.2
149.06065	0.6
149.60564	0.5
150.03210	10.5
151.03804	0.8
153.01941	0.9
153.05577	1.3
164.01144	1.9
165.01917	39.2
165.05544	1.2
166.02701	15.5
167.03508	5.4
173.04491	1.8
179.03445	2.4
180.04024	1.2
181.05072	31.4
182.05342	1.9
195.02945	3.1
209.04523	0.6
238.38797	0.6
328.07999	7.9
329.08047	0.7
343.10287	100.0
344.10620	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	343.103
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.43485	0.3
59.01374	14.8
59.09652	0.4
68.70722	0.4
69.55111	0.4
71.01382	1.2
72.99306	0.5
74.99073	0.4
81.03471	0.7
89.02457	0.6
93.03461	1.5
93.07072	0.5
95.05032	0.6
96.95999	0.5
107.05038	0.7
108.02139	0.4
109.02950	7.3
109.06583	4.5
118.98067	3.6
119.05019	4.5
121.02953	7.4
122.03782	0.9
123.04521	0.7
133.02979	0.6
135.04510	7.5
136.04938	1.2
136.05260	1.4
137.06070	31.8
138.06413	1.6
151.07616	1.2
162.06856	1.2
163.07590	1.7
164.03494	0.5
173.04507	2.0
174.05002	0.5
175.05051	1.0
177.01891	0.7
179.03500	2.7
180.03833	1.2
180.07932	2.1
181.05055	100.0
182.05363	6.3
221.09793	0.5
295.34723	0.4
343.05246	0.5
343.05963	0.6
343.10287	5.3
344.11133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99508	0.4
57.03438	1.3
59.01370	3.2
69.03462	2.4
71.01371	2.0
71.05007	1.5
75.78971	0.4
81.03439	2.0
83.01363	0.5
83.05013	3.2
84.02161	2.3
84.65266	0.5
85.02927	0.7
89.02436	1.4
95.05019	1.5
97.02948	1.3
97.06586	12.2
99.04507	2.1
100.72156	0.5
101.02473	0.6
109.06631	0.6
119.03481	0.4
119.08647	0.6
121.10233	0.9
123.08147	0.5
125.09722	5.6
127.11291	0.5
135.08167	0.6
137.09694	1.9
143.07095	0.5
148.57990	0.4
149.13358	0.7
151.07628	1.1
151.11322	0.6
153.09192	0.7
163.11295	0.6
165.12807	1.1
171.10239	12.2
172.10609	0.6
175.11247	0.7
176.11659	0.5
185.11790	0.9
187.09727	0.5
193.12318	18.2
194.12724	1.5
197.11877	0.6
197.15407	0.8
201.11330	2.3
209.11777	1.0
211.13361	3.1
221.11729	0.8
225.11324	1.0
225.14932	21.0
226.15289	1.7
235.13414	1.2
237.32762	0.5
243.15956	9.9
244.16606	0.6
253.14366	3.5
254.14807	0.7
287.16504	1.2
291.19672	2.1
305.17520	1.1
323.18689	0.5
323.22141	1.0
341.23282	100.0
342.23642	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26595	0.3
58.81379	0.4
59.01365	1.7
62.17855	0.3
69.03448	1.9
69.45445	3.3
70.14877	0.4
71.01371	0.5
81.03461	0.4
83.05016	1.4
84.02159	6.2
85.02940	0.5
89.02483	0.5
97.02959	2.8
97.06584	10.0
98.06909	0.4
99.04514	1.8
111.08171	0.5
119.08661	1.1
125.09718	1.7
127.11270	0.5
134.75552	0.4
137.09706	1.3
149.13358	0.8
151.11240	0.7
165.12827	0.5
171.10258	20.1
172.10625	1.2
175.11310	1.3
177.12788	0.5
183.13834	0.6
185.11742	0.5
193.12315	13.5
194.12619	0.8
203.10773	0.4
209.11905	0.5
211.13383	2.7
214.83775	0.4
221.11761	0.8
225.14969	17.6
226.15227	0.9
243.15993	6.7
244.16199	0.5
253.14436	1.0
260.83356	0.4
270.49643	0.4
291.19574	2.4
323.22369	0.9
341.23297	100.0
342.23636	13.2
343.19406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	88.6
60.01706	0.8
61.98825	0.6
69.84741	1.9
71.01393	0.4
75.67403	0.3
84.94691	0.3
97.20107	0.3
111.93622	0.3
113.04604	0.4
115.02522	0.3
123.38209	0.3
135.35898	0.3
136.93977	0.7
157.02338	0.6
157.03557	7.0
158.03641	0.4
159.01483	3.6
173.78624	0.3
178.95074	2.8
178.97830	0.9
201.02530	100.0
202.02701	10.2
260.95349	0.9
312.99820	0.7
343.03735	3.7
344.03674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03423	2.8
57.22212	1.1
57.70213	1.1
59.01370	14.6
69.03440	2.5
69.26109	12.8
71.01376	10.5
71.05015	12.1
73.01172	2.5
81.03448	46.2
82.03758	1.3
83.01382	2.4
83.05016	36.2
85.02958	2.0
89.02440	11.6
93.03445	24.0
95.05019	6.4
95.35375	1.2
97.02947	4.3
101.02436	3.5
107.05035	3.6
109.02959	3.7
109.06572	6.7
110.03775	2.1
111.04509	100.0
112.04855	4.2
113.02454	3.6
119.03485	3.3
121.06611	1.6
122.03729	3.4
123.04511	12.2
123.08160	2.4
125.09675	6.6
127.07651	3.1
127.11263	3.5
136.05264	1.5
137.06053	5.3
139.07681	8.3
143.03523	1.9
151.07628	54.3
152.07950	2.6
157.07660	1.9
167.07080	1.6
169.08664	35.2
170.09030	2.7
171.10246	92.4
172.10571	5.8
179.05603	4.3
185.11841	2.6
199.09755	1.4
201.11334	16.7
209.11813	3.5
213.11264	14.8
215.34349	1.3
227.12875	1.4
247.13626	1.3
251.12866	8.8
265.14426	3.6
287.16498	5.5
305.17630	5.0
323.18604	5.6
341.03214	1.5
341.10837	6.7
341.19617	14.3
342.19852	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	341.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46413	0.4
59.01372	0.6
59.86289	0.4
63.03688	0.4
69.03446	1.3
69.23791	0.4
70.52430	1.6
83.05020	0.9
84.02158	17.0
97.02948	6.3
97.06580	3.3
99.04518	3.5
119.08660	2.2
121.63449	0.4
125.09702	0.6
127.11303	1.5
135.08133	1.9
137.09727	1.4
143.48389	0.5
171.10248	48.9
172.10600	2.3
180.50130	0.5
188.39729	0.4
193.12306	4.0
211.13388	1.3
225.14944	5.0
239.12975	0.8
240.35016	0.6
243.15979	1.9
253.14433	0.9
291.19745	1.2
341.23282	100.0
342.23615	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	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41153	1.0
57.03433	4.1
57.05521	1.2
58.00575	1.6
58.29860	1.0
59.01375	6.8
69.03445	2.1
69.66848	7.2
71.01039	1.0
71.01370	6.9
71.05016	5.9
73.02920	1.6
80.02647	3.0
81.03461	7.7
83.05019	10.9
84.02155	3.4
84.31037	1.1
85.02940	1.7
85.06555	1.3
87.04489	1.4
89.02425	3.4
93.03444	2.0
95.05038	8.1
97.02943	1.5
97.06575	2.5
98.03740	2.9
101.02490	1.3
107.05003	2.0
109.05950	1.5
109.06586	14.4
110.03728	1.4
110.06928	1.6
111.04530	6.0
113.02380	1.1
113.06065	3.0
119.45094	1.0
122.03754	1.5
123.08134	3.7
125.06078	4.8
125.09710	12.8
127.07664	6.3
127.11260	5.0
135.08153	1.9
139.11237	1.9
151.07611	4.4
151.11267	2.1
155.10759	3.5
161.09724	1.2
163.11288	4.9
165.09172	2.1
165.12827	2.7
169.08699	1.7
171.10252	13.2
179.05560	1.3
185.11810	11.4
186.12106	1.4
195.10196	1.8
197.11749	8.1
199.09761	2.9
201.11305	42.2
201.13185	2.1
202.11615	3.0
208.14595	1.1
209.11806	100.0
210.12111	9.9
211.08017	2.5
213.11298	26.4
214.11671	1.6
221.11816	2.4
222.66963	1.2
227.12840	13.7
228.13034	1.3
231.13861	1.1
237.14868	1.2
239.12831	3.1
251.12828	14.9
257.14053	1.1
264.65179	1.3
265.14377	4.7
287.16449	10.4
305.17593	15.1
306.17923	1.8
323.18631	16.7
324.18863	2.5
341.11096	1.8
341.19635	45.5
342.19864	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	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
56.35722	1.0
57.03439	4.1
59.01378	16.3
66.25605	1.0
69.03432	1.8
69.40884	7.4
71.01376	7.6
71.05014	16.6
73.01166	100.0
74.01480	1.8
78.14969	0.9
81.02972	2.3
81.03454	43.6
83.01371	1.3
83.05019	33.3
83.05515	1.9
85.02940	2.7
85.06548	1.4
89.02436	9.4
93.03452	25.3
95.01398	1.3
95.05009	4.6
97.02946	3.3
98.03748	1.7
99.08172	1.2
101.02438	5.7
107.05020	3.3
108.02132	1.1
109.03003	2.1
109.06587	5.9
110.03704	2.3
111.04511	88.5
112.04842	2.1
113.02419	3.1
117.00139	3.2
118.94312	1.3
119.03492	3.1
121.02957	10.7
121.06562	1.4
122.03712	3.6
123.04523	11.8
123.08133	4.6
125.02485	1.3
125.09705	6.0
127.07607	3.6
127.11284	3.3
129.09200	1.1
133.06572	2.4
135.01213	3.5
139.07631	7.7
151.07637	50.4
152.07970	3.5
161.04472	1.4
165.09084	1.6
169.08694	35.9
170.09062	2.3
171.10258	97.6
172.10568	6.5
175.04314	22.8
176.04710	1.6
179.05602	3.9
195.10214	1.2
201.11293	17.4
213.11301	13.8
219.03357	5.8
227.12796	1.3
251.12875	6.7
256.17429	1.2
279.15869	1.3
287.16391	5.3
299.18594	11.1
305.17508	5.4
323.18570	6.4
341.06912	7.1
341.10754	5.2
341.19586	15.7
342.20016	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	341.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85797	4.6
54.95144	4.0
55.62495	4.8
59.01137	4.6
59.01378	60.6
62.93193	5.0
71.01377	100.0
71.63068	8.7
73.02941	8.1
73.27484	4.3
80.02681	7.0
81.03443	12.7
83.05016	10.5
85.02917	6.6
89.02418	21.4
97.02929	18.9
97.06572	17.4
101.02413	6.6
107.04996	7.6
109.05869	7.8
109.06577	91.4
110.03685	4.9
113.02500	6.6
121.06654	6.2
125.09701	6.9
133.04054	4.4
135.08171	16.3
163.11270	56.5
165.09123	5.1
171.10258	14.2
179.05661	7.6
181.12265	19.1
185.11848	5.2
197.11945	4.4
199.09747	9.9
207.10278	81.1
209.11832	6.6
225.11281	25.2
228.23370	4.9
341.10687	12.3
341.23224	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	341.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03430	2.1
58.00580	1.0
59.01380	16.3
61.98832	0.8
69.03437	0.9
69.76973	3.1
71.01375	15.3
71.05016	7.1
72.99273	0.9
73.02932	2.2
74.03144	0.5
80.02663	1.9
81.03461	3.8
83.01377	0.6
83.05023	8.2
84.02153	2.7
85.02952	4.8
85.06540	0.9
87.00897	1.0
87.04478	0.7
89.02434	11.8
93.03452	1.7
95.01371	0.9
95.05022	7.9
95.33449	0.6
97.02946	1.2
97.06595	3.6
99.04473	1.6
101.02457	5.6
107.05021	2.3
109.06586	4.2
110.03727	1.5
111.04504	2.8
111.08151	1.7
113.02416	4.1
113.06072	2.2
114.71584	0.6
116.07185	1.4
119.03468	4.5
122.03690	1.1
123.04556	1.3
123.08170	3.1
125.06071	9.3
125.09709	6.9
127.07616	1.6
127.11294	1.0
135.04478	1.9
135.08195	3.1
136.05228	0.7
137.06030	3.6
137.09790	0.8
139.07671	0.8
141.09192	1.5
143.03519	1.6
149.09705	0.8
151.07640	2.9
153.09218	1.6
155.07085	1.7
161.04547	2.2
163.11264	6.1
165.12831	4.2
169.08688	1.1
171.10242	5.8
173.04488	0.9
177.12798	1.4
179.05598	7.0
179.75383	0.6
181.12405	1.8
185.10162	1.3
185.11812	20.9
186.12167	1.6
191.10684	1.6
191.14281	0.7
197.11804	21.6
198.12161	1.8
199.09773	1.1
201.11288	5.6
203.14334	0.8
207.10202	1.3
209.11804	100.0
210.12172	6.6
211.13400	0.9
213.11307	5.1
213.14655	0.7
221.11829	4.6
223.13368	0.8
225.11313	1.1
227.12868	14.5
228.13171	1.9
233.11761	1.5
235.13379	3.3
237.11267	0.7
237.14911	1.6
239.12869	6.4
247.13278	2.0
249.14920	1.4
251.12859	6.4
252.13130	0.9
253.14368	2.3
257.13937	1.9
260.17590	0.7
261.14828	1.0
261.18643	1.1
265.14371	6.5
279.15948	0.8
287.16528	5.3
305.17499	14.9
306.17822	1.6
313.85748	0.7
323.18594	17.8
324.18948	1.9
341.10870	8.6
341.19656	25.2
342.11014	0.8
342.19901	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62840	0.9
55.01863	1.1
57.03439	2.3
57.07461	0.8
58.00594	3.4
59.01375	100.0
59.39073	0.8
60.01718	1.0
66.25927	0.8
71.01377	68.7
71.09849	1.0
71.10194	1.8
72.01704	1.4
72.24390	0.7
72.99298	3.3
73.02943	2.0
83.01359	1.1
85.02937	8.9
87.00883	3.6
89.02439	83.0
90.02766	1.8
95.01389	3.9
99.00893	0.8
101.02433	32.9
109.35155	0.8
112.74689	0.8
113.02448	26.5
119.03493	28.3
120.03847	0.9
125.02432	1.2
131.03502	3.7
143.03462	6.8
149.04544	3.5
161.04559	8.6
173.04527	0.8
179.05586	36.5
180.05966	1.6
286.11008	0.7
341.10849	47.3
342.11182	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	341.1236
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
52.65100	1.3
58.00581	1.1
59.01374	100.0
61.97203	1.2
65.14810	1.1
69.03459	2.2
71.01375	45.4
71.61948	2.2
72.60332	1.2
72.99323	2.1
73.02941	74.4
78.95897	2.4
83.01376	18.0
85.02952	4.8
87.00864	3.5
89.02444	14.1
93.03455	9.9
95.01346	1.6
97.02947	2.3
101.02439	49.0
113.02446	12.4
119.03532	6.2
119.05006	18.9
125.02500	1.4
131.01625	1.3
131.03481	5.6
132.23463	1.3
137.06058	4.0
143.03502	3.5
149.04535	3.4
155.03477	2.6
161.04543	7.7
173.04538	6.3
179.05653	3.4
191.05563	2.2
196.02022	2.9
211.04262	3.9
299.11224	2.2
328.40009	1.3
341.12531	11.9
342.12521	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	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46087	0.3
59.01381	1.3
65.40480	0.4
70.89347	0.8
71.01368	0.9
89.02420	0.9
102.45763	0.3
107.05019	1.1
111.53918	0.4
115.44306	0.3
119.03459	0.4
134.03738	3.2
135.04523	100.0
136.04837	4.8
173.04504	0.8
179.03488	94.7
180.03839	5.1
341.08588	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	341.1085
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01881	0.6
57.03434	1.5
58.00600	3.1
59.01375	100.0
60.01721	1.4
69.66463	2.6
69.66862	0.8
71.01377	66.5
71.77083	0.6
72.01733	1.0
72.99303	2.4
73.02950	2.2
73.25763	0.5
83.01380	2.2
85.02946	8.8
85.74027	0.5
87.00867	4.4
89.02438	86.5
90.02248	0.5
90.02769	1.2
95.01388	3.7
97.02973	0.6
99.00885	0.8
101.02438	33.5
101.87228	0.5
102.02773	0.8
113.02444	25.5
114.02765	0.8
119.03497	30.7
125.02454	0.9
131.03506	4.3
143.03479	9.2
149.04547	3.4
161.04536	8.8
166.66109	0.4
176.28233	0.6
179.05592	35.7
180.05901	1.2
189.85460	0.5
202.83960	0.5
206.42857	0.5
239.89003	0.5
303.66034	0.5
341.10843	48.6
342.11047	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22358	0.6
51.58055	0.8
53.71044	0.6
55.01854	0.8
57.03445	1.3
58.00598	3.7
58.06297	0.6
59.01375	100.0
60.01712	1.4
69.03429	0.8
69.66630	4.3
71.01378	68.8
71.41146	0.6
72.01698	0.9
72.99309	3.3
73.02934	1.7
83.01394	2.9
85.02948	11.0
87.00877	3.0
89.02440	83.7
90.02771	1.6
95.01398	3.3
98.20597	1.1
101.02438	35.1
109.42197	0.9
113.02448	25.5
113.62052	0.7
114.02788	1.1
119.03499	30.8
120.03821	1.6
131.03494	4.8
134.22090	0.8
135.04544	2.0
143.03503	8.6
149.04555	5.7
161.04556	9.5
167.03510	1.0
179.03581	1.8
179.05602	40.8
180.05963	1.9
341.10867	50.3
342.11121	4.4
342.90643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
57.03430	1.7
58.00584	4.2
58.72418	0.7
59.01374	100.0
60.01701	0.7
67.50007	0.8
70.00452	1.7
70.00875	2.3
71.01377	65.6
72.99295	4.1
73.02930	2.3
83.01392	1.6
83.93736	0.7
85.02949	10.7
87.00875	4.6
89.02438	84.4
90.02775	1.8
93.03460	1.4
95.01392	3.4
101.02435	32.7
113.02445	26.0
113.03238	1.5
114.02812	1.1
119.03493	29.8
125.02459	1.0
131.03488	4.4
135.04498	3.5
143.03508	7.5
149.04535	2.5
154.26524	0.7
161.04518	9.0
167.03528	0.9
173.04562	5.2
179.03534	3.5
179.05594	37.6
180.05911	1.4
245.69301	0.8
253.02620	0.9
281.12476	1.4
341.10864	48.5
342.11026	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98429	0.3
55.00822	0.3
57.31411	0.4
59.01371	1.1
60.59962	0.3
71.01376	0.5
71.61809	0.5
89.02449	0.8
98.71302	0.3
107.05015	1.0
113.02428	0.5
119.03503	0.7
127.75900	0.3
129.79758	0.3
134.03763	2.5
135.04517	100.0
136.04852	4.0
170.29578	0.3
170.57251	0.3
173.04475	0.6
179.03482	97.2
180.03824	4.5
329.36795	0.3
341.08527	4.6
342.09073	0.6
352.21466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
57.77908	1.0
59.01369	4.9
67.31644	1.2
69.28661	11.3
71.01369	1.3
71.05017	38.9
81.03445	2.1
83.05090	1.1
86.45896	1.3
93.03503	1.2
93.07111	2.7
95.05032	2.6
97.06540	1.2
104.02923	1.0
109.06585	2.3
120.40564	1.3
121.02916	1.6
123.08135	1.4
125.09723	3.1
127.11339	1.4
135.08159	2.1
137.06049	1.4
145.41151	1.6
149.06142	1.6
151.11276	4.0
153.09135	1.4
167.10760	6.6
171.10258	100.0
172.10645	6.5
173.03183	1.3
185.11810	1.8
203.10724	1.2
225.14891	1.1
233.15457	4.4
247.13208	2.2
249.14854	2.7
265.18158	2.2
275.16373	1.1
277.29916	1.2
289.17941	2.8
303.16119	2.4
306.18335	3.4
321.17035	5.3
321.20630	57.1
322.21014	6.0
339.18039	1.8
339.21671	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	339.2323
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.10227	0.3
64.43204	0.3
69.88924	1.5
74.54684	0.3
90.73247	0.3
90.86230	0.3
92.78543	0.3
105.62135	0.3
126.63066	0.4
142.23740	0.4
145.67072	0.3
147.08159	0.4
163.11269	100.0
164.11594	7.1
251.40962	0.3
254.20940	0.3
255.75562	0.3
339.23227	76.2
340.23569	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	341.0874
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.28851	0.4
57.03475	0.6
59.01375	7.4
60.88600	0.4
67.01896	1.2
68.89020	0.4
69.65870	2.8
71.01375	3.6
83.01416	0.7
84.56335	0.4
85.02978	0.6
87.00906	1.3
89.02429	3.7
93.03453	5.9
101.02438	1.4
104.10110	0.4
107.05032	0.8
111.04526	1.1
113.02444	1.0
117.03465	0.5
119.03509	1.0
121.02928	0.6
123.08225	0.5
134.03725	2.9
135.04515	96.7
136.04852	5.1
137.02423	1.5
143.03505	0.4
155.03474	0.8
167.07103	2.5
173.04532	16.5
174.04857	1.0
179.03481	100.0
180.03819	5.3
191.05507	0.6
236.04649	0.5
341.08557	15.1
341.12289	1.0
342.09079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
55.19788	0.9
55.26336	0.7
59.01361	3.3
67.01883	5.1
68.12009	0.8
69.03434	0.8
70.05196	0.8
70.99689	1.8
71.01385	4.5
71.01707	0.9
76.44794	0.8
81.03458	1.0
83.04963	0.8
85.02915	0.8
89.02419	2.4
91.01875	2.8
93.03452	28.3
94.03783	2.1
103.89998	1.1
107.05013	1.4
108.02148	1.4
111.00871	1.3
111.04515	4.2
123.04523	8.8
134.03679	2.4
135.04518	67.9
136.04831	4.4
137.02425	4.2
155.03452	3.6
167.03494	17.0
168.03751	1.1
173.04532	100.0
174.04919	4.9
179.03481	57.1
180.03839	4.7
341.08621	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	339.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14084	1.0
57.03436	4.0
59.01365	6.8
69.03442	1.5
71.05055	1.0
71.10059	2.2
78.95900	2.5
80.02675	2.1
81.03482	1.2
83.05006	1.6
83.15498	1.0
87.04538	1.2
94.54485	1.0
95.04994	2.4
96.18681	1.0
97.02948	3.9
107.05043	1.8
109.02943	1.2
109.06618	1.4
110.03710	2.7
121.06585	4.5
123.04510	8.8
123.08149	18.6
125.09713	2.9
127.11244	1.1
135.08150	1.4
137.06137	1.2
137.09706	2.6
139.07608	1.2
139.11278	8.0
140.11656	1.1
142.02704	4.1
149.09714	2.7
151.11244	6.3
152.08411	12.5
152.99596	4.5
153.09181	1.5
155.14409	3.3
167.10722	5.9
171.10258	46.4
172.10574	2.9
177.12799	3.0
183.10211	2.7
185.11951	1.3
191.14418	2.1
193.12344	1.4
199.13370	26.1
200.13762	2.3
209.11749	1.8
213.11346	3.9
217.15923	1.2
221.11671	1.8
238.12004	1.2
239.13063	1.5
241.14433	1.4
245.19057	16.5
246.19473	1.1
261.18365	1.5
263.20129	1.9
265.17960	1.6
271.17044	2.4
273.14938	1.4
286.30261	1.2
289.18076	100.0
290.18469	10.1
301.88727	1.4
307.15558	1.6
307.19141	51.1
308.19513	6.7
321.20645	17.8
322.21063	3.3
324.19382	10.4
339.21732	63.9
340.22076	10.3
355.65799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2171
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
52.83908	5.1
57.03437	28.2
59.01373	37.9
61.98804	5.2
69.03402	3.7
70.94069	3.7
71.01373	11.3
71.05022	86.7
71.62816	4.3
72.02116	4.1
73.02925	7.5
81.03442	5.5
83.05054	9.3
85.02940	5.4
87.04507	5.4
87.57735	3.9
95.05032	6.2
97.06583	13.1
98.03733	4.7
99.08150	3.6
109.02914	9.7
109.06584	11.9
110.03722	5.9
110.80637	3.5
111.04504	41.3
111.08146	100.0
123.08142	31.7
125.06116	4.7
125.09712	95.0
125.99242	4.5
126.10102	4.4
127.07606	17.3
137.05977	4.6
137.09694	15.6
139.07628	9.9
139.11273	11.5
149.06088	9.4
151.11224	11.9
153.09198	40.9
153.56358	4.6
155.10764	79.2
159.11853	3.9
164.08495	13.9
165.09193	39.5
167.10727	11.6
172.12558	3.8
177.01910	5.0
177.09120	10.2
177.12834	53.5
183.01193	23.1
183.10225	71.7
184.01733	4.0
184.10551	5.1
185.39084	3.8
195.10260	69.0
195.13812	11.9
196.10635	4.8
197.70108	4.1
209.11913	4.6
215.12869	30.6
219.13843	7.7
227.12872	83.4
228.13190	4.1
233.15382	11.6
239.12718	4.0
241.14569	9.7
245.18997	5.8
249.14902	8.2
251.16483	33.0
252.13582	11.9
268.13055	5.2
271.16995	4.3
289.18066	28.3
296.08389	4.3
297.43582	4.2
303.19577	8.0
307.19131	7.2
321.17035	9.4
321.20636	67.7
322.20901	6.0
339.15985	27.0
339.22083	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	339.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10640	1.6
57.03436	7.5
57.51788	1.6
59.01384	9.8
64.10524	1.7
69.03451	4.1
69.36208	9.0
69.36635	7.4
71.01357	2.2
71.05015	41.0
73.02949	2.1
77.18227	2.3
81.03452	27.5
83.01389	2.5
83.05022	25.3
85.02908	2.6
93.03445	3.0
95.01368	3.0
95.05019	18.7
96.28306	1.8
97.02965	2.1
97.06587	13.3
101.06091	4.5
102.25215	1.8
107.05025	4.9
108.02150	4.4
109.02955	5.7
109.06574	4.9
110.03726	7.4
111.04517	23.8
111.90396	1.7
121.03025	2.2
121.06575	8.1
122.03725	5.6
123.04510	6.3
123.08160	22.1
125.06113	4.9
125.09717	67.4
127.11305	3.5
133.06578	6.3
135.04518	3.4
137.06067	10.7
137.09755	2.4
139.07617	6.9
145.05037	7.4
149.06056	8.3
151.07648	29.1
160.82376	1.9
163.11296	2.4
167.07133	49.8
168.07471	4.1
169.08759	3.1
171.10249	29.0
173.04578	2.2
174.06845	4.1
177.05513	2.1
185.11824	3.7
187.09666	3.9
191.05573	1.9
195.10217	2.1
199.09706	4.5
199.13380	3.7
201.11276	16.0
205.12294	3.8
209.11794	4.9
211.09654	2.4
213.11311	11.3
215.12854	100.0
215.92361	1.6
216.13193	5.8
237.11404	2.5
249.11270	18.8
249.15053	2.6
250.12074	4.1
250.57202	1.8
259.16940	6.5
265.14447	15.8
277.18100	1.9
285.14948	41.2
286.15118	3.7
295.18939	2.5
303.16000	85.5
304.16327	10.1
321.17053	46.2
321.52332	2.0
322.17294	4.9
339.18054	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	339.1995
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
50.95311	0.3
54.17315	0.3
59.01372	0.4
71.57874	0.3
74.82967	0.3
79.95745	1.1
94.42869	0.3
98.95585	0.6
102.66620	0.3
113.14314	0.3
119.05032	1.2
163.11241	2.6
165.72769	0.3
170.00453	2.0
183.01193	51.6
184.01605	3.0
197.02759	1.0
216.00938	0.9
225.05884	1.0
239.07457	0.7
300.66721	0.3
339.19934	100.0
340.20258	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	339.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09169	2.8
53.61348	2.4
57.03440	9.5
59.01378	16.6
69.03447	10.6
69.32366	24.7
71.01385	3.0
71.05031	14.5
73.02969	2.9
81.03452	55.5
83.05015	33.8
84.02148	3.2
85.02946	11.8
93.03467	3.4
95.01364	5.6
95.05015	18.4
97.02938	15.2
97.06586	8.9
98.20717	4.7
99.04510	83.4
107.05039	7.5
108.02168	15.0
109.02925	10.0
109.06571	10.4
111.04519	12.7
121.02950	21.0
121.06605	8.0
122.03751	21.3
123.04504	9.0
123.08167	6.6
125.06119	3.8
125.09727	10.9
127.03999	4.1
131.96709	2.8
133.06567	4.9
134.03766	3.3
135.04504	7.3
136.05252	3.7
137.06062	23.3
139.11273	6.7
141.60510	2.7
149.06058	31.9
151.07637	3.3
163.04007	5.4
163.11258	4.0
165.12946	2.7
167.07115	20.8
167.10806	4.3
167.14212	2.8
171.10266	73.1
172.10606	3.1
177.12787	9.2
178.06360	20.0
179.01794	2.9
179.06522	3.2
185.11772	4.0
191.14374	11.8
193.12296	21.8
195.13921	4.6
197.11916	3.0
199.13330	17.0
203.10674	5.8
205.12289	5.6
207.13994	3.7
209.11780	9.7
209.15308	3.0
211.13342	6.2
213.11397	3.0
221.11777	3.0
235.13382	54.0
236.13539	2.5
247.13400	8.4
249.11311	15.2
250.12115	12.6
253.14432	100.0
254.14754	11.2
259.17154	4.5
265.14392	14.9
277.17993	4.1
285.14777	13.9
303.15979	37.1
304.16187	6.2
321.17017	61.3
322.17358	4.4
339.18195	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	339.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	84.8
60.01714	1.2
61.98840	0.5
67.54566	0.6
71.01355	2.8
71.33087	0.6
73.02953	1.0
75.93370	0.5
77.89156	0.5
81.03421	0.6
83.01348	0.8
85.02967	1.1
89.02470	0.7
89.03962	1.4
96.96037	1.0
98.88558	0.5
99.00892	0.7
100.46406	0.5
101.02422	2.5
105.03442	3.5
113.02435	1.2
133.02946	8.9
149.02435	1.0
161.04543	2.2
172.33289	0.5
176.01176	0.7
177.01906	100.0
178.02258	5.3
272.26422	0.5
279.14462	7.5
304.46103	0.5
339.07339	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	339.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96366	1.4
59.01376	22.8
62.85901	1.5
64.19436	1.6
71.01379	8.8
72.99310	15.1
74.48117	1.5
75.00861	5.8
75.36617	2.0
89.02441	14.6
96.95996	6.2
97.06580	6.0
99.00880	6.2
108.02173	2.1
109.02946	1.8
109.06587	2.7
111.08186	3.2
112.98799	3.9
117.01947	17.7
121.06568	4.7
123.08180	3.6
124.98815	2.2
125.06053	4.8
135.02992	3.8
135.04523	2.2
139.07654	5.5
141.83069	1.6
142.99854	28.4
145.02995	3.5
146.03714	1.9
149.06088	6.5
151.07658	2.2
153.05565	11.6
166.06430	3.0
167.07130	12.8
168.53711	1.8
169.51456	1.6
171.06639	2.0
173.00879	14.4
173.04597	2.2
174.01715	14.7
179.07135	3.1
181.08771	4.7
193.05031	4.5
207.08153	2.5
209.11743	2.7
211.06102	3.2
217.06738	3.1
218.86273	2.0
219.08075	2.2
221.06099	4.0
223.07538	2.3
223.10124	2.0
225.05624	3.3
225.07626	15.1
235.07605	7.2
240.07884	2.5
246.06750	2.3
247.07469	2.6
251.07150	1.9
253.08632	5.7
261.05399	2.1
262.06107	2.5
263.07016	15.7
264.07510	3.3
267.10284	1.7
268.07361	2.4
271.08185	8.7
280.07489	2.5
281.08170	27.3
282.08508	4.1
289.33310	1.9
291.06580	8.2
292.07315	2.3
293.08084	11.5
294.09015	6.0
295.09665	1.9
296.07318	1.9
296.10590	5.8
303.10745	2.8
307.09552	3.1
308.10483	7.1
309.07657	100.0
309.10898	4.6
310.07968	15.3
323.09186	21.8
324.06213	3.9
324.09979	63.8
325.10382	6.6
339.08749	7.3
339.12314	76.8
340.09140	2.3
340.12744	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	339.1231
Annotation	Obovaten
Peak:m/z	Relative Intensity
54.34034	0.8
55.81329	0.7
56.01191	0.8
59.01371	5.1
59.82991	0.7
60.52412	0.7
61.98823	1.1
67.68418	0.7
71.63410	1.2
93.03452	1.5
96.95992	1.2
118.43346	0.8
125.09715	1.2
128.62312	0.8
133.02939	1.4
134.03355	0.7
134.06107	2.1
135.04526	2.2
137.02477	1.1
145.02940	3.3
147.35953	0.8
159.53285	0.8
161.02434	3.3
163.04015	1.3
171.10248	1.7
173.04498	1.1
178.05096	2.1
179.03503	1.3
179.07100	1.0
179.08611	0.8
191.05624	1.2
191.08623	1.7
201.11244	4.4
207.08134	2.5
217.06523	1.9
218.07176	1.3
219.08046	2.4
220.05325	1.1
221.05995	2.9
225.05647	0.9
225.09126	1.6
229.10690	1.7
233.06122	1.6
234.06805	2.4
235.07625	6.8
237.09109	2.1
239.07088	1.3
239.14558	0.8
245.06081	2.5
246.06784	1.6
247.07544	3.1
251.07008	1.3
252.07857	1.4
253.05032	0.8
253.05969	0.8
253.08652	7.2
261.05316	0.8
262.06253	1.6
263.07092	18.4
264.07669	2.9
265.08759	2.5
268.10950	3.1
273.05539	0.9
274.06424	1.6
275.07086	2.2
279.06573	0.8
280.07321	1.9
281.08127	29.4
282.08466	3.2
291.06641	9.0
292.07306	2.6
293.08191	7.6
294.08908	3.7
295.09567	1.9
296.10403	4.9
303.15948	1.3
307.09753	2.6
308.07028	1.6
308.10477	7.4
309.07666	100.0
309.10931	4.4
310.08011	9.9
321.17032	1.0
323.09216	26.9
323.13077	1.4
324.09973	60.0
325.10370	6.4
339.12302	74.5
340.12708	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	339.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01970	0.2
57.41262	0.3
59.01373	4.5
61.98829	3.6
67.79338	0.3
69.48317	2.0
71.01385	0.6
73.02925	0.3
75.60028	0.3
78.95908	0.4
85.02945	0.4
87.00838	0.3
89.03989	0.4
93.03448	1.2
96.95988	0.6
98.20580	0.6
101.02421	0.7
105.03448	1.7
121.02972	1.5
123.04494	0.8
132.02173	0.3
133.02959	4.2
135.04530	0.7
149.02434	1.7
165.05569	0.3
173.04434	0.5
176.01268	0.3
177.01917	100.0
178.02266	5.8
191.05745	0.5
193.06107	0.4
279.14450	1.0
339.07162	2.5
339.10791	0.6
340.07327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0717
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
54.59930	0.3
59.01369	2.9
65.00314	0.8
65.03959	1.2
67.01900	0.6
71.01369	1.3
73.02946	0.6
80.02682	0.8
83.04995	0.4
85.02927	0.5
86.45526	0.3
88.87239	0.4
91.01887	50.7
91.78000	0.4
92.02227	1.7
93.03436	0.5
98.19902	0.8
108.02170	1.0
109.02944	13.3
109.06604	0.6
121.02950	1.6
123.04540	1.0
123.08230	0.5
125.09706	1.2
126.57920	0.4
133.01430	0.4
133.02950	1.4
135.00871	100.0
136.01120	3.6
137.02423	3.3
137.06050	0.8
149.02425	1.2
153.01921	65.2
154.02231	2.6
161.02443	2.3
163.03952	0.6
167.07001	0.5
171.10289	0.7
173.04466	0.5
177.01868	1.7
179.03502	0.6
179.10768	0.5
189.01942	1.2
198.98584	0.4
199.09689	0.6
201.11282	4.5
211.09851	0.5
213.11343	0.5
229.10767	1.9
263.07159	0.8
279.05054	0.7
281.08121	1.0
285.14740	0.7
297.06116	1.2
303.15927	1.4
309.07623	3.2
321.17020	1.5
323.09207	1.0
324.09869	2.5
339.07162	32.2
339.12085	1.9
339.18027	1.2
340.07462	3.1
340.12741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62986	15.1
59.01375	100.0
75.85226	15.0
111.77248	15.3
143.49503	15.4
174.17805	14.7
244.39630	19.1
337.18298	47.3
337.23727	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.17743	0.2
59.01381	0.4
62.14450	0.2
66.72800	0.2
71.07638	0.4
77.45668	0.2
81.03456	0.6
87.51376	0.2
89.03969	1.6
105.03460	2.8
107.01380	0.3
109.68310	0.2
133.02950	7.9
134.03284	0.5
149.02428	1.0
169.94717	0.2
176.01118	0.3
177.01913	100.0
178.02252	5.6
248.62648	0.2
339.07227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.202
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
53.90240	4.0
57.03437	15.5
59.01372	43.2
69.03464	8.3
71.05019	27.4
80.02699	4.4
81.03474	4.7
83.05054	6.0
84.49127	3.8
85.02944	71.9
93.03453	5.9
95.01360	8.3
95.05025	5.8
96.12210	3.6
97.02953	8.0
97.06612	9.0
98.19832	9.1
99.04514	39.2
101.06070	25.5
106.04220	8.4
107.05026	7.1
109.06601	7.6
111.08116	5.8
120.47282	4.3
121.06573	13.2
122.03686	6.5
123.08190	6.5
136.05334	8.2
159.11794	5.4
177.12831	68.3
178.13148	5.4
203.10718	9.2
203.59827	4.4
219.13872	10.6
221.11804	11.2
231.13881	7.7
243.17514	9.3
246.04898	4.4
247.13298	6.8
251.16441	52.2
253.14476	22.7
259.17099	5.6
263.16409	7.7
279.15857	7.4
287.16483	26.8
288.16821	7.3
319.19141	42.4
337.16354	7.9
337.20181	100.0
337.23758	6.8
338.20627	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	337.2018
Annotation	(E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate
Peak:m/z	Relative Intensity
57.03436	2.5
59.01376	22.7
59.13711	2.0
61.98825	1.9
67.01859	1.8
69.69543	10.5
78.95891	3.8
81.03439	6.1
83.05006	5.2
95.05022	2.1
96.96007	2.7
97.06583	100.0
98.06929	2.6
98.19730	1.8
109.06596	17.3
110.68030	2.0
119.58963	1.7
121.09419	2.5
123.08143	3.9
125.09718	24.6
135.08151	39.5
136.08459	2.9
137.06085	6.1
140.28793	1.8
152.99556	4.8
153.09161	5.1
161.06050	12.9
165.09175	2.1
171.45490	1.7
175.11180	2.0
193.63087	2.0
207.10249	4.3
209.11624	2.3
239.12813	8.5
251.12848	2.0
254.85806	2.0
261.14822	1.9
277.18033	2.4
285.38300	2.1
287.16446	4.4
291.19751	2.8
293.17572	18.5
294.17807	2.3
305.17514	2.4
319.15649	3.4
319.19089	27.1
320.19281	4.0
337.16501	3.4
337.20157	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	1.2
69.32400	1.2
69.32813	2.2
71.01388	0.4
93.03456	1.2
96.96026	1.1
101.02470	0.4
116.30788	0.3
119.05022	0.5
125.50994	0.4
127.27705	0.4
127.88246	0.3
136.07716	0.4
150.54132	0.4
163.04082	0.5
173.04559	1.9
176.03485	0.9
191.05612	2.8
224.17191	0.3
249.11739	0.7
337.09592	0.9
337.13480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01374	19.4
61.98818	4.1
67.01891	3.2
70.37658	2.8
70.38046	2.7
71.01373	3.2
79.95726	1.6
83.05042	2.0
85.02960	1.4
93.03457	12.0
96.96021	1.6
108.02167	6.1
109.02945	1.4
109.06586	7.4
111.04510	3.9
112.14099	1.3
121.02946	4.6
121.06617	2.6
123.08101	1.5
125.09711	6.8
130.08716	4.1
133.03009	1.8
135.04604	1.6
137.02438	2.3
137.06081	19.2
137.09755	1.4
138.06403	1.8
145.02956	2.7
149.06067	2.9
153.05539	2.1
153.09135	2.2
155.03560	1.8
163.07649	6.4
167.07188	7.3
171.10214	6.1
173.04530	38.5
177.05559	5.5
187.07610	2.6
187.09662	3.7
191.05672	4.5
199.09708	2.5
201.11299	4.2
207.04785	2.3
207.08156	4.9
215.09206	5.0
221.06145	1.7
223.07578	5.7
234.06900	3.8
235.07675	11.7
237.05496	2.2
243.12177	1.4
245.39835	1.4
251.07115	11.2
261.05569	1.8
262.06329	2.3
263.07150	5.5
263.16461	1.5
264.07852	1.8
266.09430	4.9
272.41101	1.7
278.05786	4.8
279.06589	94.4
280.07037	9.1
291.06625	38.5
291.15857	1.9
292.07269	9.6
293.07935	3.2
294.08951	7.6
301.14520	1.7
305.08112	5.4
306.08951	28.8
307.06119	100.0
307.09497	10.2
308.06500	12.0
309.16965	1.6
319.15436	6.7
321.07678	16.7
322.04584	2.3
322.08417	59.4
323.08975	6.9
337.10773	71.8
337.16519	16.9
338.11124	9.8
338.16656	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.58463	0.6
59.01377	25.2
61.18938	0.6
61.98778	0.7
64.83465	0.6
67.01882	1.4
69.62519	2.8
69.62923	1.2
71.01374	6.3
72.58086	0.7
72.85886	0.8
72.99302	0.8
73.02946	2.1
79.95724	0.6
81.03459	0.9
82.35348	0.7
83.04996	0.9
85.02949	6.4
87.00864	2.9
89.02428	2.6
93.03457	8.9
96.96014	4.0
98.20596	1.3
101.02433	4.0
108.17071	0.6
109.02975	0.8
111.04519	2.9
113.02454	2.5
119.05023	58.3
120.05378	2.2
127.04021	2.0
136.07626	1.0
137.02473	0.7
145.03104	0.7
155.03490	2.7
161.04547	2.7
163.04002	100.0
164.04323	5.5
164.07126	0.7
169.59634	0.7
173.04550	9.1
176.03513	1.7
191.05602	68.6
192.05978	2.6
277.12836	1.6
289.12161	0.7
301.11942	1.3
319.13211	0.7
337.09302	12.2
337.14996	3.7
337.18533	1.1
338.09225	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	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57763	0.2
52.54815	0.2
57.03448	0.3
59.01360	1.2
59.96795	0.2
67.01888	0.4
69.03438	0.2
71.01366	0.7
71.07317	0.2
71.07624	0.2
81.03461	0.4
81.28284	0.2
83.05032	0.5
85.02943	7.3
87.00872	1.6
93.03454	5.0
94.03753	0.2
99.04474	0.3
101.02524	0.2
109.02954	0.7
111.04523	1.2
119.05022	1.5
127.03996	2.0
145.02933	0.6
153.81523	0.2
155.03510	0.2
163.04013	1.8
171.02957	0.5
173.04535	1.8
191.05602	100.0
192.05949	4.0
299.09103	0.2
320.40204	0.2
337.09256	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.51849	0.7
51.90120	0.7
55.01877	0.6
57.03450	1.0
59.01373	9.5
63.99440	0.6
68.76623	0.6
68.99522	4.5
68.99879	1.2
69.03438	1.0
71.01369	4.4
71.61897	0.9
73.02947	1.4
75.00880	1.4
77.37523	0.7
78.95891	2.6
83.01387	1.9
85.02941	6.2
87.00885	2.8
87.50906	0.7
89.02424	2.1
93.03478	0.7
95.01362	1.7
96.96030	2.1
96.96964	1.1
99.00859	4.4
101.02420	2.5
110.98518	1.0
111.00877	2.4
111.01997	9.7
112.98569	7.3
113.02450	6.8
113.99573	13.4
115.00367	6.8
115.04074	0.7
119.03487	1.0
127.00367	2.7
129.01930	2.9
130.08728	2.9
131.09058	2.0
137.03552	1.0
141.01894	0.9
152.12311	0.7
157.01434	4.7
161.04552	1.3
169.01392	1.2
174.01682	14.8
175.02419	3.8
207.20671	0.7
277.05582	16.8
278.05936	1.3
337.07712	100.0
338.08093	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	336.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93170	1.1
59.01374	38.1
59.17412	1.0
61.98811	2.3
71.01371	7.6
72.00888	1.2
73.04070	24.3
81.57867	1.1
83.01362	1.4
83.02512	10.0
83.05013	1.9
85.02946	5.0
85.04064	4.5
87.00880	3.2
87.05637	2.4
89.02438	5.3
93.03455	12.6
96.96008	6.0
101.02422	4.9
102.05582	1.4
111.04516	3.9
112.08546	1.2
113.02447	2.6
113.03549	6.2
116.07168	80.6
117.07448	2.2
119.03503	3.0
119.05019	66.7
120.05370	1.3
120.27071	1.0
127.03964	1.3
128.03479	1.4
129.10333	23.4
137.02414	1.9
138.05602	1.2
139.45665	1.1
146.04491	1.2
147.04559	1.8
155.03493	2.0
156.07513	1.7
158.02858	1.2
161.04512	2.3
163.03999	70.7
173.04585	7.6
176.10840	1.4
177.01884	3.7
186.12453	15.2
191.05594	51.8
193.01427	1.5
218.11832	24.2
219.07715	19.8
219.12146	2.7
229.05141	1.7
230.11430	12.4
277.12851	2.3
279.13553	1.4
292.13196	1.6
292.16550	2.2
336.15610	100.0
337.09192	7.2
337.15421	13.2
337.22107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	16.7
60.99300	0.6
61.98845	1.1
67.01891	1.4
69.24664	0.7
69.35836	3.2
69.36257	2.3
71.01376	2.8
72.99339	0.7
73.02937	0.7
80.96503	0.7
85.02949	3.2
87.00847	2.3
89.02455	1.3
92.05898	0.6
93.03451	9.8
96.96003	12.9
101.02407	1.6
108.02164	6.2
109.02954	0.8
111.04517	1.9
113.02472	0.8
115.84408	0.6
119.03516	0.8
119.04987	2.9
129.33328	0.6
137.02429	1.2
138.01958	100.0
139.02292	3.2
145.02951	0.8
149.06041	1.9
155.03465	0.6
161.02399	0.6
161.04588	0.9
163.04007	4.1
164.04338	1.3
168.06812	0.6
171.08154	1.7
172.38405	0.6
173.04539	6.1
191.05592	37.1
237.03796	0.8
300.04300	0.6
331.46402	0.6
334.24625	0.6
336.10068	1.1
337.04065	1.7
337.09415	2.6
337.14716	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	335.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.8
59.01376	53.9
61.98822	1.9
68.65311	1.5
69.85683	1.3
71.01378	44.8
71.21844	2.3
72.99298	3.1
73.02952	2.1
74.02435	1.5
76.72315	1.4
83.05054	1.6
85.02947	10.6
87.00864	1.6
89.01906	2.9
89.02441	51.9
93.03436	2.1
95.01396	2.6
96.96013	23.1
98.20004	1.3
101.02440	19.8
111.08153	100.0
112.08486	2.4
113.01674	2.1
113.02427	16.2
116.24442	1.4
119.03503	17.0
135.04576	1.7
137.02444	8.2
143.03468	3.4
149.04524	1.5
155.07133	78.9
156.07451	4.7
161.04530	2.4
163.04030	3.2
179.05571	12.2
229.63260	1.4
230.18718	1.5
335.13174	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	335.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51072	1.1
59.01375	18.0
61.98824	1.2
63.90801	0.9
70.99441	1.0
70.99770	1.7
71.01361	1.5
78.10208	1.0
80.05057	6.4
82.84769	0.9
92.05060	1.6
93.03419	1.4
94.02957	1.5
94.06613	14.5
96.96008	1.0
107.03760	2.1
108.04548	14.8
110.06102	2.9
113.06057	5.4
120.04543	8.9
122.02455	7.1
122.06093	4.5
124.07652	7.1
136.04031	2.8
137.04791	1.1
138.05585	8.9
148.04013	6.2
150.05579	8.2
154.05122	1.1
161.04529	1.1
166.05075	96.4
167.05434	5.2
173.04503	1.6
180.02962	1.8
182.04518	2.2
194.04568	7.1
195.58775	1.1
210.04045	100.0
211.01236	1.2
211.04373	5.7
215.11847	5.6
229.13377	1.2
240.08968	1.5
255.11238	1.3
273.12350	2.7
293.16132	1.8
317.11459	4.9
335.12436	30.9
335.16687	2.2
336.09067	1.0
336.12775	4.1
341.23642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80573	3.9
59.01092	6.7
59.01375	100.0
71.01385	12.2
71.63145	7.6
89.96021	6.2
96.96037	10.5
101.02428	4.9
105.05225	4.3
113.02437	4.6
138.92108	4.2
142.14790	4.3
148.04073	5.0
170.71193	4.3
173.04521	7.4
178.02545	6.2
190.13821	4.7
191.05536	8.0
224.77788	4.2
299.18555	20.1
335.21661	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.7
55.69761	1.2
56.21035	1.1
57.03448	1.8
59.01377	76.3
60.01707	1.3
61.98816	1.8
70.84051	3.0
71.01381	48.1
72.99310	3.1
73.02956	2.1
73.04062	3.3
80.47341	1.3
83.01379	1.2
83.05016	2.1
85.02948	10.4
85.04065	1.3
87.00873	4.1
89.02439	63.9
89.72531	1.2
93.03456	27.6
95.01373	3.0
96.96006	7.1
101.02442	25.2
111.00886	1.7
111.04514	4.3
111.08154	100.0
112.08492	5.0
113.02448	17.7
113.03172	1.8
113.03569	1.6
116.07187	11.4
119.03500	22.0
119.05009	4.1
120.99687	1.2
129.10307	2.4
131.03497	2.0
135.04501	4.0
137.02440	45.3
137.06068	1.5
138.02744	1.9
143.03461	3.3
146.89986	1.2
149.04562	1.9
154.50713	1.1
155.03514	14.8
155.07132	89.1
156.07455	5.0
161.04536	5.6
163.04010	1.8
166.08133	1.1
173.04529	4.5
179.05594	12.2
182.43449	1.3
186.12416	2.7
211.36908	1.4
218.11786	2.8
219.07663	2.8
231.40514	1.4
299.07748	1.6
335.09827	38.1
335.13330	3.4
336.10315	2.5
336.15582	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	335.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
71.01380	49.9
71.24542	17.1
71.24883	13.3
80.96526	13.4
85.02946	29.9
89.02442	24.8
96.33727	11.3
96.96006	13.9
97.38858	11.5
99.00860	10.5
101.02460	24.5
111.08157	23.4
113.02435	10.7
137.02444	35.0
142.94753	16.0
155.07101	25.5
163.04012	13.5
188.98441	12.3
240.05508	11.4
245.13716	11.8
335.09268	15.5
335.13416	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52795	1.7
59.01378	100.0
59.09109	1.5
69.03445	3.0
70.53282	4.6
71.01380	70.6
72.99302	3.7
73.02937	5.0
81.03463	3.0
83.01387	1.9
83.41626	1.7
85.02958	14.1
89.02443	74.5
90.02785	1.5
93.03452	2.6
95.01366	1.5
96.96001	2.2
97.02942	3.0
99.00813	1.8
101.02438	10.1
101.51492	1.6
113.02448	32.7
114.02843	2.1
125.02444	9.8
127.03951	1.9
131.03503	10.9
143.03496	8.9
145.61647	1.4
149.04552	20.7
155.03476	9.5
170.00360	1.5
191.05540	2.7
198.90349	1.5
203.05569	5.5
243.38713	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35096	0.3
53.81821	0.3
58.99600	13.6
59.01373	3.9
66.70123	0.3
74.99066	1.6
98.20615	0.9
102.98592	100.0
103.98944	1.4
115.92653	0.4
120.99644	8.3
139.11255	2.9
147.30873	0.3
162.87486	0.4
163.00685	6.0
203.11011	0.4
220.48790	0.3
246.55302	0.4
333.13928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
59.01374	100.0
60.01708	1.2
71.01376	5.1
72.27596	0.3
73.02932	1.7
83.01392	1.2
84.00243	0.4
85.02945	3.4
96.96010	0.8
99.00856	0.8
101.02431	4.6
113.02441	1.6
133.91612	0.3
143.03549	0.5
155.46347	0.4
161.04553	2.3
202.26224	0.3
291.18118	5.6
294.66403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00290	0.9
57.13651	1.2
59.01366	4.7
61.98819	2.9
71.01374	3.0
78.95917	1.0
79.95746	1.2
80.05054	2.0
81.95288	1.7
85.02940	1.9
89.02464	1.1
92.05051	2.2
94.06600	3.7
95.95235	1.3
96.96017	5.7
97.94813	2.4
101.02410	2.2
104.05045	2.9
105.03427	2.5
106.06612	11.9
108.04520	2.1
113.02426	1.2
120.04544	6.0
120.61842	1.1
122.06105	15.0
123.03243	2.7
123.06434	1.2
132.04549	6.0
138.05597	18.0
139.05908	1.1
144.08232	1.1
150.05563	2.8
151.00647	1.7
152.07237	1.4
173.04568	2.4
182.97913	1.3
189.07951	1.3
191.05641	1.7
217.07263	1.2
236.03702	1.1
241.09801	2.4
243.11177	1.4
250.00354	1.2
260.22284	1.2
264.08160	1.2
271.11005	1.2
289.11926	100.0
290.12271	10.5
333.06445	2.1
333.10843	8.5
333.14401	9.8
333.19101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92778	0.4
59.01384	0.5
65.73454	0.3
69.80981	1.9
74.22392	0.4
78.03462	1.0
80.05046	0.5
92.05061	2.0
94.06617	4.6
98.19917	0.5
102.05237	0.4
103.04222	0.4
104.05061	2.9
105.03451	3.0
106.06618	12.9
107.03765	0.6
107.06940	0.5
108.04533	1.4
120.03741	0.8
120.04544	7.0
121.05313	1.4
122.02459	0.7
122.06117	14.4
123.03262	2.5
123.06441	0.9
124.07659	0.7
131.03777	1.1
132.04550	7.7
135.03285	0.7
136.03987	0.7
138.05603	24.2
139.05939	0.9
148.04007	1.2
150.05614	2.5
166.05054	0.5
174.12923	0.6
188.07222	0.5
189.07999	1.1
209.11804	1.4
213.06699	0.9
215.11823	1.6
217.07332	2.0
226.07370	0.6
228.08983	0.7
229.09689	0.8
231.09042	0.5
231.11157	0.8
241.09808	3.1
243.11186	1.8
244.11749	0.4
259.10837	0.4
271.10846	1.0
289.11917	100.0
290.12265	9.4
319.14447	0.4
333.10867	9.5
333.14624	0.7
334.11105	1.0
352.24051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45136	2.6
59.01379	22.2
59.39078	2.9
61.98832	3.2
63.73052	2.6
69.31031	2.9
69.31348	27.3
71.01366	10.3
78.95896	9.0
79.95721	21.5
87.00869	4.3
89.02438	6.5
93.03452	22.6
95.95226	4.4
96.96006	69.2
98.20676	4.7
101.02432	8.2
108.02161	3.0
109.02921	3.7
110.97536	3.5
120.99607	3.6
125.08069	3.1
132.41933	2.9
135.04526	29.6
136.01660	3.2
136.99159	3.7
137.02414	15.7
152.07137	20.2
152.99574	4.9
153.07498	22.1
159.06638	4.3
165.60660	3.0
173.00407	2.7
173.04526	22.4
241.01172	3.7
245.12842	4.3
257.08969	2.8
274.68457	2.9
285.63663	3.2
289.11902	3.4
306.63913	3.0
318.04114	11.8
333.06256	100.0
334.06595	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	333.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.8
64.70718	2.1
69.90086	7.6
69.90503	4.4
71.01385	10.3
72.12180	2.1
76.16165	2.7
78.95896	35.7
86.19796	2.3
88.98830	2.7
89.02430	12.6
96.95410	2.4
96.96957	7.6
98.20561	4.8
101.02425	4.9
104.74135	2.2
113.02483	4.8
119.03521	4.8
135.06650	3.9
140.63690	2.3
144.39880	2.5
145.64963	2.2
152.99576	30.8
161.00862	2.9
171.00577	3.1
179.05548	4.3
241.01157	12.4
297.11908	51.5
298.12134	3.6
314.92920	2.5
333.05814	36.4
333.09558	100.0
334.09897	8.4
352.98560	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32026	0.9
56.90884	1.0
57.03437	1.2
58.99594	3.2
59.01374	21.1
60.97540	1.3
61.98819	1.0
71.01394	6.1
71.62807	1.3
73.02926	2.4
74.02468	1.0
74.99117	1.0
75.00317	0.8
77.95269	1.0
78.95898	2.4
79.95729	71.1
80.96510	54.3
83.01391	1.9
85.02950	2.5
87.00869	84.4
88.01199	1.7
89.02419	1.7
93.03471	1.4
94.98081	2.2
95.01414	1.5
96.95998	1.7
101.02435	2.8
102.98596	7.9
106.98111	1.2
113.02464	4.7
120.03326	0.9
120.99628	1.1
124.93730	3.4
126.95290	12.8
135.04434	1.1
152.96848	14.5
152.99544	1.3
168.96330	32.5
168.97786	1.7
173.04514	3.4
196.95815	100.0
197.96069	3.1
204.97009	1.0
214.96872	38.3
215.97081	1.2
289.12085	1.0
333.01068	24.3
333.05508	2.1
333.10434	2.3
333.14182	2.2
333.19263	2.7
334.01340	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	333.0592
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
51.76777	0.4
55.78400	0.3
57.66508	0.3
62.96453	0.3
69.98932	0.7
69.99326	0.6
72.96369	0.3
75.90929	0.3
78.95897	83.6
96.96950	17.2
149.72739	0.4
150.98016	1.2
152.99571	70.5
153.99866	1.7
163.67856	0.4
171.00610	7.3
204.56781	0.3
206.29066	0.3
223.00076	1.0
227.12209	0.3
241.01160	34.1
242.01546	1.8
259.02292	2.2
267.66553	0.4
333.05878	100.0
334.06238	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	333.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	51.5
61.98797	9.6
63.63551	6.4
69.80549	21.0
69.80963	13.9
71.01376	37.6
73.02921	8.0
78.95903	8.2
84.65571	5.9
85.02950	17.5
87.00858	7.9
89.02440	18.9
93.03465	21.8
95.01345	7.2
96.96008	12.1
97.06589	7.2
98.19836	6.8
99.00877	9.2
101.02446	19.8
113.02458	14.5
118.21248	5.8
122.06062	13.9
135.04521	100.0
137.02409	12.0
148.52313	5.8
152.07170	79.4
152.99634	10.4
153.07533	82.7
161.02423	12.3
161.04570	8.1
162.02798	7.4
173.04605	15.3
191.05606	8.2
241.01192	7.4
245.12982	6.9
250.85399	5.8
279.56934	6.5
281.06561	8.9
289.11890	12.4
333.05869	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
69.51103	2.1
69.51521	1.4
71.01376	16.6
83.04998	0.6
85.02946	1.0
96.54022	0.5
97.02957	0.9
99.04536	0.8
105.27909	0.4
111.00679	0.4
113.02267	0.5
113.06007	0.5
125.06120	0.5
125.09692	1.8
125.99345	3.6
127.07680	0.5
129.05211	0.4
137.09689	0.5
140.00916	0.7
141.09196	6.8
141.98723	0.6
164.73160	0.4
165.01674	8.7
165.08948	0.8
166.01996	0.6
177.05591	0.5
178.33865	0.6
179.06895	0.7
181.08441	2.6
183.09991	2.2
191.06831	1.0
193.04843	1.2
193.06628	0.8
193.08432	16.3
194.05545	1.1
194.08792	1.0
195.09944	0.5
197.07941	1.5
205.08545	0.6
209.07933	6.1
221.07919	7.0
222.08705	100.0
223.09457	51.8
223.11801	1.1
224.09846	2.7
225.07381	1.7
227.08975	2.0
233.19139	0.5
237.10992	0.7
241.06956	0.9
248.10269	1.1
254.07668	9.0
261.10959	0.6
262.11884	1.5
301.17786	1.3
303.19424	3.1
313.17847	3.7
317.16705	0.5
331.18872	39.9
332.19232	3.9
347.00116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03443	0.8
59.01374	100.0
60.01711	1.3
61.98814	0.7
71.01379	4.7
73.02957	2.2
83.01373	0.8
84.54537	0.7
85.02952	2.7
89.02431	1.4
89.07784	0.5
99.00892	0.8
101.02435	3.7
113.02459	1.5
161.04565	2.7
191.85042	0.6
245.80736	0.7
283.61188	0.6
289.16638	3.6
331.11984	0.7
331.15518	1.0
331.18976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60739	0.4
56.50056	0.5
57.03441	1.0
59.01372	6.7
60.01731	0.4
60.99316	0.8
67.01888	4.7
69.03444	0.8
70.07797	2.0
71.01373	6.0
72.00904	0.5
72.01685	0.4
72.99324	0.4
73.02931	0.4
74.02453	0.9
81.03465	0.9
82.02966	0.6
83.05027	0.9
85.02941	1.4
87.00871	0.6
89.02440	1.8
93.03452	25.6
94.03796	1.0
95.01369	0.6
96.96001	0.8
99.51977	0.4
101.02453	1.4
104.03515	1.4
109.02905	0.6
111.00890	1.0
111.04515	4.6
113.02448	1.6
116.05043	1.2
119.03519	0.6
127.04057	0.4
127.05087	0.5
128.03522	8.2
137.02432	4.2
155.03511	4.8
157.08691	14.9
159.09254	0.4
167.04628	1.1
168.03006	1.3
169.03297	0.5
173.04532	100.0
174.04855	4.0
185.87021	0.4
191.05588	0.9
203.08246	2.6
208.08485	1.1
213.08731	1.2
225.09271	0.9
226.09508	3.2
228.04626	0.7
244.07076	0.5
286.10635	0.5
287.11176	2.7
314.11319	1.2
331.09637	3.6
331.13950	10.7
331.17743	0.9
332.14240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70880	0.4
57.03437	0.9
58.00570	0.4
59.01374	6.9
60.01713	0.7
60.99303	0.8
67.01884	4.7
68.99829	0.3
69.03457	1.5
71.01376	5.5
72.00913	0.4
72.99319	0.5
73.02944	0.7
77.70212	0.4
80.96514	0.5
81.03422	0.7
82.02973	0.7
83.01379	0.4
83.05005	1.0
84.04551	0.5
85.02961	1.1
87.00865	0.6
89.02439	1.6
93.03451	25.2
94.03797	0.8
96.96009	0.7
101.02430	1.6
102.02821	0.4
104.03529	0.4
108.02136	0.4
109.02956	1.2
111.00863	1.0
111.04504	4.7
113.02438	1.3
116.05067	1.4
119.03526	0.6
120.99620	0.5
127.03997	0.6
127.05109	0.5
128.03529	8.8
137.02446	5.4
141.06647	0.5
144.04578	0.8
155.03490	4.9
157.08693	14.7
158.09007	0.8
159.09290	0.5
167.04625	0.9
168.02972	1.1
169.03345	0.9
169.38637	0.4
173.04532	100.0
174.04906	3.4
191.05626	0.9
197.05861	0.5
203.08214	2.9
208.08470	1.3
213.08713	1.6
225.09236	0.8
226.09515	3.9
228.04662	0.4
243.07047	0.5
244.07336	0.4
245.07684	1.4
287.11133	4.7
288.11258	0.6
314.11337	1.3
331.09570	4.5
331.13962	11.2
331.17651	1.0
332.13953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.9
67.01915	0.6
67.05534	0.7
69.03421	0.6
71.01381	4.1
71.05019	1.1
73.02932	0.5
74.78556	0.4
81.03441	0.8
83.05021	1.2
85.02955	1.0
87.00876	0.6
89.02450	0.7
89.92473	0.4
93.03451	3.4
100.41077	0.5
101.02454	0.8
109.06582	1.1
111.04513	2.8
111.08178	1.0
119.03494	0.5
121.06567	0.5
127.04012	2.1
127.07652	7.6
129.01883	0.6
137.02472	0.5
139.07639	5.9
144.04526	1.3
151.00345	0.4
155.03459	2.7
157.08690	100.0
158.09013	5.0
173.04532	9.3
174.01704	1.6
191.05566	2.7
195.10274	0.6
203.29271	0.5
219.07814	0.4
243.03294	0.7
331.10110	0.6
331.13971	14.3
331.17529	0.9
332.14252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66860	4.1
57.03441	5.3
59.01373	22.6
71.01369	9.4
71.62182	5.4
72.97531	20.4
73.04057	8.4
78.95893	7.3
80.08284	3.8
83.01384	19.2
87.00851	4.7
88.04045	4.9
93.03402	6.2
96.95979	5.5
99.00963	4.5
107.01382	10.3
108.02154	18.0
113.02459	5.5
113.06085	6.4
121.02979	5.5
122.03716	13.5
125.02416	57.0
133.05043	10.8
133.96788	6.4
138.51033	4.3
150.05566	10.0
151.00368	51.0
151.05919	6.5
157.05020	6.2
168.00591	15.2
169.01411	34.9
169.05038	7.5
173.04500	16.8
175.00322	8.3
191.05548	6.7
301.14960	12.8
313.11188	11.1
331.06677	100.0
331.11481	11.8
331.16092	11.6
332.06805	10.9
351.20657	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	331.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32786	0.3
57.03455	0.8
58.00581	0.4
58.77198	0.3
59.01374	7.4
66.72084	0.3
67.01868	0.5
71.01379	6.0
71.62627	0.3
71.63071	0.6
72.57213	0.3
73.02944	0.7
79.95729	8.9
80.96528	0.6
82.69842	0.3
83.01404	0.4
85.02931	2.0
89.02436	4.8
90.31513	0.3
90.93188	0.3
93.03442	2.1
93.22683	0.3
95.01379	0.4
95.95226	19.2
96.96001	12.7
97.06575	0.8
101.02445	3.1
111.04478	0.7
113.02462	1.9
114.72301	0.3
119.03505	2.1
119.05002	0.6
120.99618	1.3
126.61488	0.3
131.03700	0.6
137.02367	0.7
144.04463	0.4
149.99957	0.9
151.00690	22.5
152.01010	0.4
157.07578	0.5
157.08777	1.7
158.26932	0.3
161.04509	0.9
163.00682	0.4
164.01486	2.6
171.08475	0.8
173.04532	8.7
174.04889	0.5
177.02240	0.8
219.07732	1.2
261.07983	5.4
262.08212	0.4
287.10287	0.7
331.12143	100.0
332.12469	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	331.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19485	0.9
55.17504	0.8
58.88860	0.9
58.99601	1.0
59.01374	5.0
69.35519	5.6
69.35933	2.6
71.01383	6.9
73.02931	2.4
74.66258	0.9
75.97750	0.9
85.02945	3.7
87.00874	24.3
89.02442	0.9
93.51527	0.9
96.95975	2.1
101.02423	4.1
102.98578	4.9
113.02435	2.9
119.22309	0.9
120.99645	35.8
121.00531	1.7
122.00000	1.0
147.11737	1.4
159.02911	1.4
161.04573	3.3
165.12782	1.5
209.11812	11.5
234.27614	0.9
243.10555	20.8
244.10925	1.3
323.76187	0.9
331.12173	100.0
332.12494	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	331.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.5
62.48881	0.4
65.76118	0.4
69.49858	2.2
69.50292	1.3
71.01357	1.3
79.95726	7.3
80.96510	0.6
89.02457	0.5
93.03446	0.5
96.95992	1.8
107.05030	0.8
119.05009	100.0
120.05338	4.1
124.87237	0.5
135.04507	11.9
138.01942	0.6
163.03986	7.0
164.04266	0.5
165.57443	0.4
199.00668	35.4
200.00960	1.9
209.11870	0.7
215.00174	19.0
216.00475	0.8
242.99652	3.2
262.29691	0.4
296.29114	0.4
297.88882	0.4
331.04877	26.8
331.11911	1.2
332.05234	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	331.0666
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03439	4.6
57.55370	1.1
59.01374	12.0
65.00313	3.2
70.11853	1.2
71.01369	6.0
71.62230	1.6
72.97525	1.9
73.02944	1.3
73.07990	1.1
78.95881	2.5
81.03453	2.7
83.01391	13.0
85.02961	2.6
87.00887	2.3
93.03455	2.3
96.00919	1.2
97.02953	1.7
101.02430	3.4
105.10744	1.1
107.01382	8.2
108.02169	30.0
109.02992	7.3
113.02448	2.7
113.06076	1.4
114.01928	1.4
121.02940	1.5
123.04503	1.4
124.01692	2.1
125.02434	49.1
131.04626	1.3
133.05069	6.0
150.05609	1.9
151.00359	59.6
151.03925	2.1
151.05925	3.1
152.00664	2.2
155.11914	1.2
157.04987	1.2
161.04543	10.2
163.03993	1.3
167.03461	2.1
168.00612	2.8
169.01405	28.4
173.04541	4.3
175.00299	8.7
186.12448	2.7
191.05556	1.7
193.01408	6.6
211.02528	2.1
216.13390	1.4
271.08151	4.8
301.15152	2.7
313.11139	2.6
323.19263	1.2
331.06665	100.0
331.16162	5.2
332.06946	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	331.0822
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
54.34101	1.1
55.05307	1.0
57.03458	1.0
59.01375	15.7
62.21148	0.9
71.01377	13.4
71.63280	1.5
71.70660	0.9
72.99303	25.2
73.02928	2.2
79.95735	2.1
82.58649	0.9
83.01385	1.0
85.02954	1.9
87.00854	1.7
89.02448	11.0
92.56295	1.0
93.03448	7.8
95.05067	0.9
101.02451	7.3
107.05035	3.5
113.02456	4.8
119.03522	3.9
119.05024	48.5
120.05365	1.7
121.02988	1.3
122.06141	1.7
127.58009	0.9
133.02943	1.1
135.04543	6.4
161.04549	1.4
163.03995	4.3
173.04536	3.5
177.01886	1.2
179.05579	1.4
181.06584	3.3
191.05577	1.5
195.08156	3.2
197.06017	2.9
197.62488	0.9
199.00716	16.7
199.07594	10.2
207.08105	31.8
208.08482	4.2
209.11818	3.4
211.07666	2.5
212.08386	3.7
213.09187	5.7
215.00154	8.0
215.03636	0.9
223.07637	12.0
224.07948	1.0
225.09186	80.1
226.09543	5.8
226.19754	1.1
227.12990	1.4
240.07877	2.2
241.06169	2.0
241.08672	28.2
241.41626	1.1
242.08974	2.1
242.99606	2.1
244.07394	2.6
251.07188	5.9
259.94382	0.9
269.08179	39.8
269.12891	2.8
270.08530	3.7
287.09225	100.0
288.09540	10.5
313.07132	3.2
331.04800	9.8
331.08240	73.7
332.04987	1.7
332.08505	8.5
352.11838	1.1
352.89139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
58.63488	0.3
59.01385	1.8
61.98823	0.5
71.01381	1.0
71.62049	0.5
73.02953	0.5
74.02474	1.0
75.00901	0.4
78.95897	100.0
81.03457	0.5
83.01386	1.8
85.02924	0.5
88.04036	1.4
91.96042	0.4
93.03444	1.0
96.95989	1.0
96.96958	8.8
101.02427	0.6
104.83086	0.3
109.02998	0.4
110.00079	0.6
113.02449	0.5
113.06065	0.9
123.04541	1.7
124.04842	1.1
125.00065	0.4
125.02429	7.9
130.08722	0.4
132.08167	0.6
137.02486	0.6
137.99568	1.1
150.05544	0.6
151.00343	2.3
152.01172	0.8
152.99585	11.3
153.01917	9.5
155.03427	0.6
157.05031	1.1
167.03470	3.1
168.04190	5.4
169.01402	9.0
169.05042	1.1
171.00624	49.9
172.00941	1.1
173.04532	3.2
214.04915	0.7
214.93765	0.4
256.07452	1.2
286.17758	0.5
312.15674	0.5
330.11139	20.1
330.16708	0.8
331.06683	2.9
331.11044	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	330.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.6
63.21368	1.0
67.01894	3.8
69.03481	1.0
71.01376	14.2
71.33305	1.7
71.96336	1.1
72.00887	1.2
83.01376	1.1
85.02944	4.7
87.00858	1.1
89.02444	13.5
93.03457	17.7
96.95999	1.4
101.02434	8.5
107.05080	0.9
111.04530	3.2
112.80863	1.1
113.02448	6.9
119.03531	5.0
128.03458	1.0
130.08740	2.8
137.02403	2.8
138.01997	1.9
143.03468	1.1
147.10043	0.9
152.03535	4.5
153.50072	1.0
155.03484	2.5
157.08707	8.6
161.04555	2.1
168.03021	16.3
173.04547	64.6
179.05566	1.4
181.06578	2.9
191.05623	1.4
194.07355	1.7
195.08122	1.8
196.05298	1.2
197.06065	16.0
198.06508	0.9
199.07603	7.6
200.14153	1.2
205.94884	1.1
207.08136	36.3
208.08453	3.0
210.04060	3.9
211.07655	5.0
212.08400	30.4
213.08942	4.4
222.04218	1.6
225.09193	100.0
226.09515	10.5
241.08557	2.2
242.12050	1.3
244.07372	31.6
245.07678	3.1
251.07057	2.6
268.09769	2.2
269.08130	1.9
286.10837	84.0
287.11191	8.1
312.08591	1.8
316.74133	1.1
329.51178	1.2
330.09906	68.4
331.09940	7.1
331.13913	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	329.2329
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03432	1.0
62.65332	0.6
69.32178	1.3
69.32588	3.8
83.05000	1.0
85.02983	0.9
99.08139	5.8
125.09680	1.6
127.11284	3.9
137.09804	0.5
139.11276	7.3
140.11592	0.6
142.03798	0.6
155.10757	0.8
157.12346	0.7
165.12843	0.8
167.14384	1.3
171.10249	17.7
172.10590	1.2
183.13893	4.6
193.12317	1.4
201.11320	0.7
208.81682	0.5
209.11856	1.0
211.13374	23.4
212.13747	1.4
229.14417	13.2
230.14561	0.9
231.49091	0.5
293.21155	1.0
301.97229	0.6
311.22150	1.0
329.23285	100.0
330.23633	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
52.21245	0.4
58.00582	1.2
59.01374	4.6
70.66898	0.6
70.67255	1.2
72.99295	0.6
73.15405	0.5
75.69153	0.4
99.08147	7.9
127.07642	1.1
129.09216	6.7
139.16837	0.4
153.12807	0.5
155.10776	0.5
155.14366	0.5
167.14436	0.6
169.12334	5.7
179.29271	0.5
181.12321	4.8
183.13867	2.0
193.12369	2.0
197.11803	2.7
199.13377	18.2
200.13757	1.1
209.11731	0.4
211.13390	13.5
212.13760	1.2
223.56549	0.9
227.12952	0.6
229.08617	0.4
229.14439	1.8
275.20093	0.8
277.98947	0.4
293.21213	3.4
294.21576	0.7
311.22284	2.2
329.23288	100.0
330.23642	12.0
330.27573	0.6
351.76144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01711	1.0
62.84854	0.6
71.63102	0.6
75.00893	0.7
101.02448	0.5
103.13059	0.5
123.93208	0.5
165.05666	0.5
172.96085	0.5
207.13896	1.3
209.11826	1.7
225.14938	82.4
226.15285	7.0
227.12735	0.7
251.12839	1.0
269.13907	15.5
270.14209	1.1
287.15060	1.8
329.16061	6.3
330.16199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00872	0.6
57.03440	0.9
58.00587	1.5
59.01371	7.0
59.96676	0.6
61.27023	0.6
61.98852	0.8
69.52976	1.2
69.53394	2.9
79.95679	0.8
85.02949	0.7
87.10279	0.6
87.85161	0.6
93.03437	1.0
96.95992	0.8
97.06570	0.6
99.08150	8.6
115.07787	0.6
123.40147	0.5
127.11252	0.9
129.09219	7.1
139.11223	0.6
155.10596	0.5
169.12325	5.2
170.88368	0.7
171.10269	2.2
181.12392	5.1
183.13889	1.6
193.12361	1.8
197.11838	2.3
199.13374	19.2
200.13748	1.7
211.13354	11.0
223.56497	0.6
227.12851	1.8
229.14401	1.5
275.20078	1.0
293.21155	2.0
311.22330	2.0
314.04199	1.1
317.62341	0.6
329.23303	100.0
330.23633	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	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01369	1.1
59.38836	0.4
61.98824	0.8
62.70059	0.3
70.03416	1.8
71.01382	1.3
78.95891	2.9
83.01358	0.5
85.02934	0.7
93.68835	0.4
98.20529	0.5
101.02425	0.4
102.13787	0.4
108.02164	50.9
109.02487	1.9
121.03001	0.4
123.04513	23.1
124.04877	1.1
125.02440	1.3
137.02409	0.5
139.36623	0.4
152.01141	36.1
153.01434	1.1
167.03477	100.0
168.03806	4.2
171.00597	1.4
173.04637	0.6
177.01974	0.4
208.19992	0.4
298.78259	0.5
329.08737	1.6
330.11151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43052	0.7
59.01373	8.6
68.99803	1.0
69.03454	4.9
69.53378	4.7
71.01376	1.6
74.02483	1.0
82.26293	0.5
83.01372	0.7
84.93711	0.6
85.02933	0.5
93.03444	0.8
94.59640	0.6
95.01357	1.1
97.02947	20.6
97.03561	1.3
101.02379	1.0
107.01339	0.7
109.02957	0.7
113.02439	1.2
123.00873	0.7
123.04527	1.7
125.02436	100.0
126.02737	2.9
151.00403	1.2
155.11903	0.7
166.06313	1.0
167.03412	3.2
173.04520	2.8
187.16475	0.6
209.04549	0.9
300.15784	0.7
329.08893	1.1
329.12625	0.9
330.16809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18010	0.4
54.30179	0.4
57.03445	0.8
59.01375	100.0
60.01721	1.3
71.01373	6.8
71.62696	0.8
73.02962	1.5
77.57691	0.5
80.96553	0.5
83.01385	1.0
85.02953	3.2
87.00874	0.7
89.02435	2.9
91.22704	0.4
93.03469	2.1
95.01406	0.6
99.00885	0.8
99.73330	0.5
101.02424	4.4
104.54530	0.4
113.02461	2.5
119.03487	1.2
123.08128	0.7
125.02455	0.7
131.15106	0.5
137.02448	0.6
152.03566	0.8
155.07150	1.0
159.02953	1.2
161.04529	4.8
167.03482	2.9
168.03035	2.2
173.04523	7.2
207.08192	0.9
210.04037	0.6
212.08446	0.7
225.09200	2.0
244.07404	0.6
269.10248	5.4
286.10898	1.5
329.12573	0.9
330.08093	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	329.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	39.3
61.42020	0.6
61.98799	0.8
69.34170	2.6
69.34595	2.7
70.09879	0.5
73.41373	0.5
84.23315	0.6
98.19878	1.0
115.02525	1.4
117.00446	3.1
125.00875	0.8
126.98817	1.4
143.02010	3.2
144.99904	1.1
159.01488	65.4
160.01617	5.4
162.43837	0.7
168.99895	2.7
170.97873	2.8
187.00970	100.0
188.00533	14.7
201.02534	13.9
202.02705	1.2
224.24440	0.7
251.51901	0.6
259.01672	0.8
274.99509	0.8
283.85553	0.8
286.70859	0.7
287.01102	1.2
311.01068	0.9
329.02188	4.0
330.01889	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	329.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12347	0.9
59.01365	2.4
61.98828	100.0
67.27525	0.8
70.70594	0.8
70.75951	2.2
71.01340	0.9
87.00864	1.0
89.02413	1.1
95.01385	1.3
97.02930	1.4
108.02153	2.4
109.02931	2.6
121.02958	1.0
122.03745	1.6
123.00878	5.4
123.04520	2.7
125.02445	5.5
126.80202	0.9
134.04707	1.6
137.02429	1.7
139.00317	1.4
150.05547	1.2
152.01163	1.3
161.01456	0.8
166.99808	1.4
167.03468	8.0
177.92361	0.8
211.00742	0.8
225.90970	0.7
329.08832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01376	6.5
61.98829	5.5
69.44621	1.7
69.45022	5.2
71.01376	12.2
73.02942	3.5
78.95881	0.9
83.01386	1.8
85.02930	4.2
87.00877	1.8
89.02459	2.3
93.03449	2.5
95.01373	1.9
97.02948	2.5
99.00864	1.8
99.04528	1.8
101.02413	6.1
108.02155	4.8
109.02924	4.2
111.00840	0.9
111.04510	1.0
113.02433	7.9
121.02959	2.4
122.03732	100.0
122.06087	4.1
123.00885	1.5
123.04547	19.8
124.07359	0.7
125.02437	10.2
135.04475	1.0
136.07704	1.3
137.02440	1.7
137.06084	0.7
143.03461	1.2
147.04459	1.8
150.05615	7.6
152.01157	2.4
156.06694	2.0
159.02969	1.9
161.04541	13.0
165.05554	4.7
167.03473	12.3
173.04520	2.2
177.05573	2.3
191.05557	1.5
275.19257	0.9
285.09869	3.6
293.00189	1.9
312.10889	3.7
329.08759	8.5
329.18118	1.3
330.05081	0.8
330.11993	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
57.73124	0.9
59.01376	100.0
60.01706	1.8
61.98827	1.1
71.02888	2.6
85.72670	1.0
126.30143	1.2
170.29156	1.0
306.08307	1.1
327.29004	86.8
328.29388	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	328.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47395	1.2
59.01374	12.7
61.98824	100.0
66.91195	1.2
69.03431	1.4
70.31852	1.4
71.01369	4.9
71.61696	1.6
74.02475	1.3
81.36488	1.2
85.02949	2.4
85.17326	1.4
87.00898	1.7
88.52507	1.4
89.02441	3.3
93.03465	3.3
96.96013	3.1
101.02448	2.3
109.02925	2.0
113.02425	2.9
114.93611	1.3
123.04496	6.3
125.02448	9.1
149.02467	2.1
167.03491	4.7
173.04533	4.6
182.69403	1.3
191.05544	1.7
293.12320	5.8
329.08795	5.0
329.18369	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	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.2
59.01367	17.5
60.30704	6.3
65.01794	5.9
68.77696	5.5
71.62702	8.3
80.02675	16.2
81.03427	6.7
83.01363	9.5
83.05013	26.9
84.02167	11.6
85.02927	8.2
85.06589	6.3
95.04991	8.5
97.02930	6.6
97.06572	9.2
113.09740	7.7
123.04568	6.6
123.08169	6.6
125.09716	21.5
137.09715	100.0
138.10039	10.8
139.11267	15.3
151.11346	8.6
153.09210	6.9
155.10825	29.0
163.11171	7.7
165.12755	12.8
167.10770	15.7
171.10234	76.8
181.12381	7.3
193.12358	13.5
209.11816	25.3
225.27591	7.0
247.20705	13.0
259.78104	6.0
263.45966	6.6
283.27698	7.0
291.19650	55.1
292.19858	6.6
327.21780	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2172
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03217	0.8
57.03442	8.9
58.00593	1.4
69.03417	0.9
71.01396	0.9
71.04996	1.0
71.07724	1.3
71.08062	1.1
85.06550	0.9
88.42072	0.8
113.09718	22.2
123.08240	0.9
125.09691	7.6
127.11288	10.1
129.81140	0.9
137.09720	2.7
139.11258	1.4
141.09122	1.7
149.31276	0.7
151.11238	3.2
153.09250	1.7
155.10721	4.7
157.12354	1.1
165.09184	3.9
167.10655	1.0
171.10257	7.4
183.10271	1.0
195.10208	2.5
199.09712	2.5
201.11298	69.3
202.11632	3.7
213.11302	45.9
213.13441	1.3
214.11624	2.8
291.19733	7.3
309.20718	13.5
327.21716	100.0
328.22079	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03440	2.1
59.01361	0.6
59.09400	0.5
68.21764	0.6
69.03461	2.5
71.01374	1.2
71.39898	0.8
81.03493	0.6
83.05027	0.5
84.02168	0.7
85.02943	7.8
95.05022	1.1
97.02946	0.8
97.06583	5.3
110.03725	0.6
115.96011	0.5
119.08576	0.6
125.09683	1.6
127.11289	1.6
128.58345	0.5
137.09712	1.7
155.10794	1.4
155.14426	0.7
165.12810	1.0
167.10779	0.9
167.14319	0.9
171.10252	17.8
172.10631	0.7
177.12839	1.1
183.13896	4.6
185.11890	1.5
193.12305	1.4
198.82286	0.6
209.11765	1.4
211.13364	23.1
212.13675	2.2
220.96713	0.6
221.11778	2.7
226.29953	0.7
229.14430	14.6
230.14685	0.9
239.12827	1.9
291.19638	3.8
309.20520	1.0
327.21725	100.0
328.22040	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.09997	0.4
54.18680	0.5
57.03440	0.5
57.27348	0.4
58.00578	1.3
59.01385	3.0
61.63026	0.5
70.67804	1.8
71.01402	0.6
90.97159	0.5
97.06580	1.8
109.06589	0.9
111.08160	7.4
127.07651	1.1
162.94148	0.5
169.12321	4.8
171.10175	2.9
181.12277	1.6
183.13972	0.6
193.12355	0.9
197.11819	40.9
198.12134	2.1
199.13391	7.1
200.08131	0.5
201.11304	0.9
211.13416	6.3
212.13564	0.7
221.11754	0.7
227.12939	0.7
229.14546	1.1
239.16476	1.9
263.20255	0.7
291.19684	2.2
306.22748	0.6
309.20493	2.5
327.21729	100.0
328.22052	10.7
346.96497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78557	29.6
59.01356	51.1
60.02962	28.0
71.63187	29.2
71.63546	35.7
75.15662	32.7
77.81278	28.9
78.88725	28.0
97.06567	29.5
103.85444	28.4
122.04374	28.4
123.46233	29.3
148.08405	34.2
158.69669	33.7
161.59464	33.1
249.95667	32.7
291.19498	86.7
327.21866	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	327.2172
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.22637	1.0
54.43247	0.9
57.03440	5.4
59.01376	6.5
61.98821	1.7
64.79907	0.9
69.03432	2.0
71.01381	1.6
71.05010	2.3
71.63364	1.1
73.02939	5.1
73.98267	1.1
83.05005	1.5
85.02949	5.1
87.04498	6.4
95.36024	0.9
97.02926	1.1
97.06564	2.3
107.08681	1.2
109.06567	1.2
123.08158	1.3
125.09692	2.3
127.11268	2.4
136.01688	0.9
137.06091	1.0
137.09703	3.8
171.10248	31.2
172.10565	1.0
173.04547	1.1
183.01227	1.0
183.10199	2.4
183.13820	2.9
197.11653	1.3
201.11263	9.7
211.13315	4.6
221.15471	11.0
222.15794	1.4
229.14374	4.0
239.16487	12.5
240.16733	1.3
251.16498	1.6
266.64868	0.9
273.18289	0.9
283.13550	1.1
290.72693	0.9
291.19547	6.4
309.17542	1.1
309.20673	5.8
314.70337	1.0
327.04422	1.3
327.21722	100.0
328.22073	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	327.1235
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
59.01382	3.4
59.01624	0.6
69.82307	1.1
69.82732	2.9
74.12453	0.5
93.03436	3.8
108.02139	0.7
109.02908	2.2
119.05010	1.0
121.02950	20.8
123.04472	2.5
133.02888	0.7
135.04482	2.5
140.33037	0.6
145.02968	1.0
145.69753	0.7
146.03647	0.8
147.04495	6.3
149.05994	0.9
155.10738	1.4
158.03719	1.7
159.04466	1.4
163.04001	3.0
165.05444	0.7
171.04486	0.9
171.86305	0.7
174.03230	0.7
175.03999	20.5
176.04376	1.8
179.08630	0.6
183.08226	0.6
187.03984	1.3
189.05588	1.4
190.06306	7.0
191.06857	0.7
195.08104	1.7
196.05255	1.4
197.05997	1.9
199.09676	0.6
203.07138	1.6
205.06500	0.9
207.08127	1.3
209.06001	2.2
211.03987	1.4
211.07616	2.1
212.04709	0.7
212.76631	0.6
213.05479	1.3
220.05133	0.7
221.06000	2.5
222.05219	6.8
223.07594	6.3
224.04745	0.8
225.05504	3.7
227.07262	1.1
233.06003	5.0
234.06772	1.3
235.03943	0.8
235.07625	2.2
236.04793	1.0
237.05603	2.4
238.06325	1.4
239.07117	7.6
240.04160	0.9
240.07735	1.3
241.05025	2.1
241.08687	2.5
248.04678	0.8
249.05533	4.5
250.06274	3.5
250.85863	0.8
251.07106	10.6
252.07637	1.6
253.04842	1.0
253.08624	2.0
254.05792	2.5
255.06596	0.7
256.07556	0.8
261.05521	7.1
262.06271	1.8
263.07104	2.5
264.04239	1.8
264.07632	0.9
265.05032	0.8
265.08533	0.8
266.05835	1.4
267.06573	11.4
268.07358	4.0
269.08154	21.9
270.08667	2.1
277.05048	1.8
278.05704	2.3
278.09399	1.9
279.06589	21.3
279.09424	0.6
280.07086	3.7
281.08328	1.1
282.08905	2.6
283.09970	6.3
292.62152	0.6
293.08133	1.2
294.08945	8.6
295.09387	1.4
296.07013	2.8
297.07666	88.8
297.11139	4.4
298.08005	9.8
298.11292	1.2
305.99377	0.6
309.11276	27.7
310.11584	2.7
311.09305	3.2
312.09998	54.5
313.10330	6.0
327.12372	100.0
328.12704	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	327.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.1
58.00565	1.5
59.01375	100.0
60.01702	1.0
60.38440	0.9
60.72411	0.8
69.03437	2.5
71.01377	46.1
71.50841	0.9
71.62627	1.4
72.99292	1.9
73.02944	62.4
75.00877	1.3
75.96690	1.0
83.01382	15.8
85.02952	5.4
87.00860	1.9
89.02441	8.1
93.03446	2.1
95.01351	2.0
96.95995	2.4
97.02959	1.6
98.95589	1.4
99.00864	1.3
101.02439	47.5
109.02943	1.2
113.02433	16.8
116.07143	1.4
118.67063	0.9
118.94191	2.0
119.03458	4.2
121.02876	2.2
123.04503	2.0
125.02422	2.5
131.03467	5.3
137.09700	1.6
137.75145	0.8
143.03445	5.1
149.02431	8.4
149.04524	5.9
155.03456	2.2
161.04530	12.6
164.04796	2.2
165.05553	1.6
173.04562	1.7
191.05627	1.0
203.05562	1.4
221.06517	1.8
267.02954	1.6
267.10748	1.0
312.09998	2.4
327.05081	3.4
327.12305	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	326.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47527	15.5
57.01517	19.4
59.01365	53.7
61.01429	16.7
61.98833	22.4
71.10016	42.0
80.02641	28.8
81.03455	16.2
125.09717	43.5
126.10024	26.1
134.04759	31.4
135.08160	63.0
136.08464	62.1
138.10059	18.8
147.02109	14.1
153.09166	29.7
154.09546	16.2
155.10754	22.8
160.84584	14.6
168.91415	31.5
171.10280	93.4
172.10582	72.0
180.89964	15.0
244.73247	15.7
253.04976	39.4
286.42361	15.7
308.19412	100.0
309.20288	31.6
326.20392	32.6
327.08939	19.2
327.21713	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27590	0.9
58.99602	31.5
59.01365	3.9
63.96235	3.6
69.41142	7.5
69.41541	2.4
70.88855	1.0
71.01360	1.3
73.01167	14.1
74.99075	7.4
85.02930	1.1
87.00866	4.5
89.00645	2.9
93.03442	2.3
102.98594	100.0
117.00239	1.3
120.99635	1.8
121.02950	18.9
122.03267	1.0
135.01218	49.6
135.04498	4.3
136.01578	1.4
151.03958	2.9
161.02811	5.4
173.04553	1.7
174.17104	1.0
176.03986	3.1
177.02136	6.8
179.03429	3.0
189.04831	1.5
191.05585	2.5
194.55774	1.0
205.01727	10.6
208.02170	4.9
221.02823	1.5
244.02296	2.7
327.05377	14.8
327.08908	1.5
328.05475	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	325.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62344	1.7
54.02684	1.5
59.01370	15.1
61.76086	1.9
69.54913	6.6
69.55325	4.8
79.10594	1.6
122.28915	1.8
125.09648	2.5
134.04631	2.2
137.09708	2.0
139.11281	4.2
151.11288	4.6
154.13042	1.7
155.10797	2.0
171.10281	11.5
177.12810	2.3
183.01183	14.4
183.10204	6.6
197.02713	8.0
204.01659	1.7
227.12936	1.9
241.38092	1.9
275.20178	3.9
293.21182	8.0
305.46100	1.6
307.19510	3.4
307.22748	8.3
310.21558	2.5
325.18329	48.4
325.23761	100.0
326.18600	3.6
326.24063	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	325.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.6
71.05013	1.6
71.63575	1.7
79.95705	2.4
80.21381	1.4
125.09699	2.1
126.19338	1.5
139.11288	4.3
142.04385	1.3
153.09206	2.8
163.11273	1.9
177.12831	8.0
183.01196	6.1
195.13870	27.0
196.14354	2.9
197.02711	4.2
211.13322	3.2
213.11374	1.8
227.12875	2.7
249.22287	1.8
293.21210	28.6
307.19113	3.5
307.22510	2.8
310.21506	4.2
325.18353	17.4
325.23795	100.0
326.18585	2.2
326.24136	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2016
Annotation	Plakortenone
Peak:m/z	Relative Intensity
57.03433	6.0
58.00580	2.4
59.01372	8.8
63.53013	1.6
68.81989	1.4
69.03439	2.2
70.17462	1.4
73.02940	9.6
83.05017	2.4
95.05033	1.8
96.96059	1.3
97.06571	12.7
98.19836	3.6
99.08112	1.6
101.36224	1.3
104.62267	1.2
107.51449	1.5
115.07645	1.7
123.08158	8.1
125.09715	100.0
126.10033	4.3
127.07644	2.5
127.11279	5.7
131.09052	1.5
132.09157	1.7
135.08090	3.0
137.09683	2.5
141.09210	84.0
142.09491	4.2
143.10800	1.3
151.11273	3.3
153.09149	1.9
153.12802	1.7
155.10793	4.2
155.14493	1.9
165.09178	3.5
169.08669	2.9
169.12224	2.0
171.10249	16.0
187.09743	12.1
197.11810	15.9
199.09731	1.8
199.13361	7.6
201.11304	73.5
202.11674	4.0
209.11824	4.6
211.13274	1.9
215.12782	4.2
219.28828	1.4
223.13348	3.0
227.12840	22.1
229.14386	7.2
263.20117	9.5
267.19702	2.6
271.45224	1.5
283.19113	5.7
289.17984	5.0
297.20660	11.6
307.19135	30.3
308.19476	3.5
325.16440	2.8
325.20166	28.4
326.20532	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	325.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
59.01365	8.4
66.32207	1.6
69.32708	3.7
69.33116	10.5
82.60427	1.3
84.38976	1.3
97.06625	1.6
98.19853	3.3
121.06592	2.0
121.10207	4.0
123.04518	1.9
123.08152	2.6
125.09670	3.0
134.04626	2.2
137.09695	3.6
139.11279	35.9
151.11269	2.9
153.09109	1.8
171.10252	28.7
177.12842	11.4
183.01151	8.0
183.10236	4.0
197.02690	5.3
249.49803	1.5
275.20004	8.3
293.21167	12.6
307.19443	2.9
307.22717	19.8
308.22983	3.5
325.18353	24.9
325.23743	100.0
326.18457	2.3
326.24210	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.6
64.04830	1.3
71.01375	6.5
71.05014	2.4
71.07785	3.3
81.03448	1.6
83.05022	5.4
83.69298	1.6
84.02160	3.2
92.39590	1.4
95.05015	2.6
97.06584	2.7
99.04496	2.8
99.08144	4.6
109.06590	1.5
111.08234	1.7
112.93831	1.2
115.07593	1.9
125.09692	5.0
127.07633	17.2
135.08139	2.7
139.07649	3.1
153.09183	15.3
155.10709	3.5
163.11256	4.3
171.10246	14.5
178.09940	2.6
181.12296	2.1
185.11818	16.0
191.14365	1.7
197.11824	18.2
201.11284	1.6
207.10233	1.6
209.11810	74.0
210.12099	4.9
237.14842	2.5
238.12021	8.5
245.19037	2.8
256.13077	3.7
279.19473	2.3
289.18121	13.6
290.18417	1.9
297.20551	1.8
307.19101	100.0
308.19461	15.5
325.20151	43.4
326.20505	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54393	1.2
57.03433	4.6
61.55458	1.4
71.05023	1.5
71.08124	3.4
73.02937	1.3
111.08154	15.5
117.07780	1.4
123.08157	3.2
125.09698	25.7
127.11309	8.6
137.09721	6.9
141.09276	2.5
151.11227	3.4
153.09203	3.5
154.02187	1.3
155.10744	2.5
155.18103	1.3
164.08401	1.9
165.09138	2.2
167.08411	1.2
171.10255	14.3
179.77831	1.3
194.97958	1.6
195.10149	4.0
197.11824	2.2
201.11304	65.2
201.13176	3.4
202.11578	4.4
211.13571	1.7
213.11310	46.5
214.11620	3.4
227.12903	1.3
237.14839	2.0
245.18919	1.7
280.20917	1.6
289.18082	24.4
290.18271	2.6
307.19107	46.0
308.19461	5.4
325.20157	100.0
326.20447	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29477	1.1
57.03460	1.2
59.01379	11.3
71.01376	1.4
81.83948	1.1
83.05028	1.3
97.06552	2.4
99.08162	1.4
100.51225	1.2
121.02960	3.3
122.03751	5.5
123.04545	1.3
123.08156	2.0
125.09708	8.9
125.80723	1.3
134.04720	1.5
136.05310	1.9
137.02951	1.3
139.11279	2.8
141.09268	1.6
167.14424	4.9
171.10294	4.9
183.01221	2.3
193.16025	4.2
201.11366	5.3
207.17612	5.2
209.11900	2.1
212.18878	1.2
227.13010	1.7
231.17535	3.3
233.15492	2.0
240.46564	1.2
247.17252	1.7
249.18579	34.9
250.18980	4.4
275.16510	28.6
275.19577	1.3
276.16879	3.3
281.21335	5.7
281.24414	1.1
293.17584	100.0
293.20801	4.1
294.17929	10.2
297.20831	1.3
307.19226	10.1
307.22510	2.7
325.20255	95.1
325.23856	14.2
326.20648	11.9
326.24176	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.1
58.59612	1.5
59.01377	9.5
59.97602	1.5
63.54911	1.3
65.47107	1.4
69.03452	2.3
71.01364	1.3
71.05013	7.5
71.19500	2.7
81.03473	4.5
83.05019	3.6
84.02153	1.9
84.88768	1.8
97.06579	9.5
99.08157	5.7
111.08150	2.0
121.02937	1.9
121.70209	1.5
122.03758	6.1
124.78216	1.5
125.09704	14.5
125.10458	1.6
129.09229	1.9
136.05293	2.2
137.09749	11.5
139.11279	4.3
163.11314	1.8
165.12849	6.2
165.30823	1.4
167.14389	58.7
168.14722	5.5
169.12341	3.4
171.10286	2.6
179.14441	4.4
183.10289	2.0
193.15950	34.9
193.17712	2.4
194.16286	2.4
201.11299	4.5
207.17509	33.3
208.17822	3.0
209.11925	2.8
215.12891	6.2
225.11337	1.5
227.12910	3.4
231.17545	3.2
233.15399	4.1
249.18568	100.0
250.18933	10.2
263.20050	1.9
275.16452	20.7
281.21191	66.5
282.21573	7.4
289.18158	5.9
290.18204	1.6
291.20056	1.9
293.17560	29.8
293.20377	1.4
294.17908	3.4
307.19128	99.6
308.19397	10.0
325.20224	81.8
325.23349	2.3
326.20715	9.7
333.60028	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	325.2017
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03433	6.9
59.00134	4.3
59.01366	20.8
67.36367	4.1
71.04996	4.5
71.58376	5.5
80.02666	16.9
81.03432	10.5
83.05025	12.8
84.02168	10.0
95.05017	6.3
97.06583	14.0
106.04237	12.8
109.06583	6.6
110.03725	5.0
111.08190	6.4
120.05817	4.4
121.06611	8.1
123.04452	4.6
123.08130	13.2
125.09718	77.5
127.11195	6.1
135.08173	68.8
137.09726	38.5
142.02643	4.5
151.07553	5.4
151.11221	5.1
153.09227	48.5
155.10773	10.9
169.08659	5.4
171.10263	100.0
172.10547	7.1
185.11809	17.9
193.03734	4.2
195.74142	4.0
207.10237	4.7
209.11829	8.6
211.13301	11.5
225.11223	5.4
227.12796	5.1
251.60213	4.9
273.57022	4.7
289.18091	17.8
293.20337	7.0
307.15512	6.9
307.19073	100.0
307.22394	7.1
308.19324	11.1
308.52014	4.7
325.11725	5.3
325.20309	20.1
325.23386	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	325.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01703	0.8
69.99597	1.1
70.00013	2.0
71.01381	4.4
73.02943	1.4
75.00852	0.7
77.57628	0.5
78.95914	0.8
85.02945	2.1
89.02441	0.9
101.02441	3.7
107.03635	1.5
113.02457	2.4
123.42516	0.6
133.95891	0.5
134.04716	65.7
145.96658	0.5
151.04080	0.7
159.03122	0.5
161.04515	3.9
164.07156	0.8
173.04507	0.9
265.12894	10.5
266.08966	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	325.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07309	0.8
52.71910	0.8
55.01861	1.3
57.03421	0.7
59.01375	100.0
60.82205	0.7
70.93734	2.3
71.01376	11.4
73.02950	5.1
79.30378	0.8
83.01392	1.9
85.02924	6.3
88.88208	0.8
89.02445	2.7
93.08343	0.7
95.01374	1.0
96.95996	1.1
98.95604	2.6
99.00862	2.3
101.02434	10.7
113.02446	6.0
119.05018	54.7
120.05323	2.0
124.27124	0.8
124.28359	0.8
134.04747	0.9
139.34369	0.8
159.02940	2.3
161.04532	11.5
163.03995	44.6
164.04356	1.9
166.23363	0.9
173.04610	1.6
174.05092	0.9
265.12888	31.5
266.13110	1.6
307.18539	1.0
330.18887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
52.27094	0.6
56.74259	0.6
60.32044	0.5
65.74448	0.5
70.89759	1.2
82.14864	0.6
90.32847	0.5
103.15776	0.6
119.05019	100.0
120.05371	5.6
127.98283	0.6
163.04004	80.9
164.04335	3.9
273.40152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48477	0.4
59.01371	1.4
61.17578	0.3
66.93076	0.3
67.01891	0.3
68.91071	0.4
69.03465	0.7
69.43804	2.3
71.01374	0.6
73.02947	0.4
78.95897	49.9
87.00864	0.5
93.03431	0.4
96.96021	1.6
96.96952	6.2
109.06579	1.0
119.04968	0.4
121.02959	1.1
134.03696	0.3
134.04692	0.4
135.02934	0.4
135.04492	0.9
150.97995	2.1
151.33609	0.4
152.99573	100.0
153.99921	1.4
171.00616	4.6
171.10234	4.2
173.04501	1.2
176.54128	0.4
179.03474	0.9
185.25185	0.3
195.32800	0.3
209.04523	0.6
325.10410	7.3
326.10751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.9
59.01370	22.9
68.16984	2.5
68.50896	2.3
70.67129	2.6
70.88840	6.6
71.01378	14.5
72.99303	6.9
73.02930	3.9
78.95901	22.4
85.02427	3.5
85.02946	57.0
87.00858	4.8
89.02430	5.2
92.95966	6.5
94.95698	4.0
95.01365	12.8
96.96939	7.6
102.17981	2.6
103.00365	6.1
105.08996	2.5
108.90169	3.3
110.89879	7.4
110.92599	6.2
112.89636	9.6
113.02436	100.0
113.03237	5.3
113.67794	2.3
114.02758	3.7
120.95399	3.4
126.98860	2.8
128.51399	2.6
128.89207	3.5
130.88898	6.4
141.98286	2.4
144.95537	6.1
147.95319	2.3
147.96562	6.4
148.94937	3.6
152.93639	25.1
160.93188	3.9
162.80040	2.6
172.00917	8.1
175.02444	26.0
176.98116	12.5
178.94252	2.6
188.99236	3.2
189.97638	7.6
190.95975	4.4
191.05542	5.5
193.03481	13.9
204.99342	2.7
205.98874	3.9
206.95532	17.0
206.97139	3.2
216.87140	7.2
220.97014	5.3
230.87245	9.2
232.86859	7.2
247.04773	4.1
249.00275	3.1
250.83450	6.5
250.99945	5.9
264.97955	8.4
265.05560	6.2
289.93280	7.7
324.85355	8.2
324.96017	3.8
325.02139	13.7
325.07596	25.1
326.07999	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	323.2223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.11806	1.2
51.41072	1.3
59.01371	11.1
63.81412	1.3
69.03429	1.4
70.05169	6.6
71.46066	1.3
81.03472	1.5
83.24674	1.4
91.75629	1.4
96.96075	1.4
98.19894	1.9
110.32748	1.4
123.04559	2.1
123.08171	4.5
125.09750	3.8
126.44263	1.4
137.09682	5.5
139.11288	2.8
141.06778	1.5
151.07635	2.6
152.08435	2.6
153.09250	2.2
165.12825	2.5
171.10257	6.1
177.12833	4.4
195.13792	7.3
197.11803	3.1
199.13359	1.4
211.13380	2.1
221.11853	14.1
221.15477	2.2
223.20280	1.6
247.20772	1.7
253.14384	14.3
254.14786	2.6
273.18530	2.7
291.19656	41.1
292.19809	2.1
305.21201	31.2
306.21457	3.2
308.19980	6.5
323.22247	100.0
324.22537	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	323.2223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.78076	1.3
57.03429	2.5
59.01374	13.9
69.03461	1.4
70.05011	6.6
71.05011	8.3
81.03423	1.4
88.40312	1.3
92.02911	1.4
93.07104	1.7
95.04969	1.2
97.06590	4.8
97.54918	1.4
98.20585	2.5
109.06581	1.6
111.08183	2.1
119.05050	2.1
119.08648	3.6
121.10233	17.4
122.10546	1.6
123.08179	1.8
125.09701	15.1
135.08112	2.9
137.09718	19.2
141.12909	1.5
148.08923	1.6
149.09691	6.0
151.11198	2.2
163.11235	4.1
171.10255	27.7
185.11842	18.5
195.11459	1.3
197.11804	3.8
199.13414	1.5
201.11276	2.7
207.10204	2.0
209.11823	2.3
211.13315	1.9
213.11050	1.5
215.58511	1.6
217.15924	4.4
247.20488	2.4
269.72205	1.3
273.18555	8.9
279.19498	2.0
291.19635	100.0
292.19888	12.1
305.18149	1.3
305.21182	43.8
306.21521	4.3
323.22223	83.1
324.22430	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	323.2224
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
59.01368	4.7
71.34086	2.4
107.08662	4.1
116.67258	1.0
119.08657	3.8
137.09747	1.4
139.11288	3.1
151.11264	1.2
153.12845	1.5
162.00549	1.1
171.10246	6.7
177.12816	1.3
181.12326	1.2
185.11772	1.4
197.11815	6.6
199.13483	1.7
213.11375	1.9
229.14543	1.9
239.12968	1.5
247.20641	1.7
263.20157	2.1
265.14743	1.3
273.18558	6.0
291.19629	33.3
292.20007	3.2
305.21207	3.7
308.19885	6.2
323.22223	100.0
324.22540	10.5
324.57605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.1
57.03437	9.0
59.01367	18.2
69.03447	4.6
70.84840	9.6
71.05005	11.8
74.76412	2.7
78.09012	2.9
80.02662	4.9
81.03436	8.9
81.07729	2.9
83.01399	18.4
83.05008	7.1
84.02138	3.2
85.02924	3.2
93.03434	4.8
95.05017	34.1
97.02932	4.2
97.06589	19.4
107.05013	6.0
108.02122	4.3
109.06583	27.5
111.04520	4.2
113.06083	8.7
120.05827	3.6
121.06568	5.6
123.08163	19.6
125.09710	70.6
127.11278	7.3
130.08731	18.5
131.09068	8.4
133.06564	3.9
135.08153	36.9
137.09741	3.3
149.09662	5.2
151.07643	7.3
153.09178	14.2
156.48109	4.0
161.06056	3.7
163.11244	9.2
164.88875	3.5
167.10732	5.4
171.10269	16.0
173.60138	3.2
181.12410	4.3
185.11809	22.9
189.12727	5.3
191.10771	4.8
199.09744	5.7
201.11290	30.1
203.14326	7.6
209.11812	100.0
211.13339	3.9
213.11292	29.9
221.11797	3.4
223.13289	4.8
237.14891	8.3
243.17445	11.2
247.13300	11.4
249.14894	3.6
250.11993	5.3
265.14392	29.2
287.16486	37.0
288.16959	5.0
305.17526	65.2
306.17899	6.3
313.67145	3.5
323.18405	80.9
324.18823	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	323.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39084	1.5
57.03446	2.6
58.19102	1.7
59.01373	11.3
70.48226	4.6
71.01389	2.2
71.05013	13.3
73.24507	1.7
80.02668	2.6
81.03465	3.7
83.05003	9.9
84.02153	1.8
95.05025	6.4
97.06593	5.4
106.04264	1.6
107.05006	12.1
109.02942	2.0
109.06557	7.5
110.03722	3.0
110.43861	1.4
111.04501	4.4
121.03001	1.8
123.08130	4.3
125.06066	4.2
125.09712	12.0
127.07594	2.3
133.06583	2.9
135.08182	8.5
137.06010	2.0
139.07663	1.5
147.04469	1.9
151.07608	3.9
153.09198	13.1
154.09410	1.6
157.06628	1.6
163.11264	7.5
165.12801	3.0
171.10257	7.2
176.08441	4.4
177.09131	1.8
178.09987	5.0
178.62556	1.6
181.12415	1.7
185.11852	4.1
189.12906	3.2
190.10019	2.0
191.10744	2.1
193.12120	2.0
197.11772	10.8
207.10188	8.8
209.11810	100.0
210.12158	6.6
218.35147	1.7
225.11334	7.1
227.12923	2.0
235.13345	2.0
236.10413	2.7
243.17543	4.7
245.15233	2.3
261.18521	5.5
263.16461	1.7
277.17917	2.4
279.19595	2.8
287.16492	19.0
305.17587	98.3
305.21121	11.6
306.17874	9.6
323.18689	16.0
323.22165	3.1
324.18936	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	323.186
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03442	4.3
59.01371	16.6
72.91225	2.1
80.02667	6.1
83.05016	6.1
89.09383	2.5
91.05534	6.1
95.05046	4.0
97.02956	5.8
97.06583	59.3
98.20728	4.3
106.04212	3.1
109.06577	45.1
110.03681	2.9
112.71427	2.4
117.07128	2.7
119.38506	2.8
123.08143	6.7
125.09719	41.7
135.08154	25.5
146.91418	2.4
153.09193	3.2
161.06059	28.5
163.11266	13.3
170.18459	2.1
171.10255	3.7
181.12277	7.9
183.08044	2.5
185.11836	6.2
190.03426	2.2
207.10225	41.9
208.10516	4.5
209.11804	5.8
223.13324	5.1
225.11281	37.6
243.17473	4.0
261.14825	4.2
261.18604	3.3
269.15460	3.7
277.17981	3.1
279.15988	53.7
280.16190	4.6
287.16492	27.3
305.17517	100.0
306.17801	10.3
323.18643	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	323.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93254	1.8
57.03451	18.6
59.01378	10.6
69.03428	2.5
69.75349	9.4
71.05013	13.4
72.12067	1.7
81.03468	4.6
83.01402	7.5
83.05031	7.6
85.02952	4.5
95.00851	2.0
95.05016	16.6
96.05315	2.7
97.02903	2.3
97.06586	10.7
98.92671	1.9
99.34139	2.0
101.06099	4.0
106.04263	2.7
107.05042	3.1
109.06585	8.9
113.06080	3.2
119.05035	2.1
119.55087	1.9
121.06622	2.4
122.03768	2.4
123.04445	2.5
123.08170	2.5
125.06001	1.9
125.09727	13.5
135.08154	9.2
136.08043	1.7
137.06082	1.9
149.09724	3.3
151.11197	2.0
153.09204	2.7
161.05992	2.1
163.11313	6.2
165.12802	4.2
167.10774	6.4
177.12823	5.0
179.10872	2.3
181.12317	4.9
185.11783	8.5
189.12840	3.8
191.10815	5.1
193.15981	2.3
195.13966	4.5
203.10754	5.1
203.14447	4.3
205.16025	2.5
209.09827	3.2
209.11818	55.8
210.12190	4.3
211.13452	2.0
221.11824	3.4
225.11314	1.8
226.03925	2.0
237.14946	100.0
238.15263	10.1
243.17558	7.4
247.13405	2.7
249.14984	4.6
263.06055	2.2
265.14401	10.0
287.16495	37.2
288.16864	3.8
305.17551	52.4
306.17828	6.2
323.18536	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	323.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01701	1.0
61.46987	0.5
69.51411	3.2
71.01383	2.2
73.02942	0.6
75.51524	0.5
77.07343	0.5
83.01403	0.7
85.02988	0.6
89.02444	0.5
93.07072	0.5
96.96021	1.6
101.02446	1.7
113.02495	0.8
136.25897	0.5
161.04546	1.1
173.04591	0.7
175.05043	0.6
178.05649	0.4
263.14993	4.0
323.11649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.07476	5.4
51.30681	4.9
51.51723	5.5
57.03446	19.1
59.01379	100.0
69.54786	34.3
71.05014	69.6
81.03455	21.8
83.05019	9.3
85.02969	8.8
93.03440	10.5
95.05021	47.6
98.03699	5.5
101.02506	8.4
101.06035	8.1
107.05040	8.2
109.06573	37.8
111.04521	8.9
119.04981	6.6
121.02990	6.6
121.06603	15.1
122.03758	5.8
123.04552	6.2
123.08167	12.2
125.09718	34.3
127.07658	7.0
135.08159	30.5
137.09750	8.2
147.04601	7.1
147.08165	7.4
153.09140	8.5
156.39592	6.0
161.06116	7.0
165.09181	12.6
167.10738	8.0
169.50610	5.9
171.10231	19.7
179.10727	7.5
185.11868	10.0
189.12827	20.4
205.15950	18.1
230.02635	6.0
232.87370	6.3
237.14949	66.8
243.17505	21.2
249.14908	21.0
269.04214	6.2
287.16510	66.0
288.16852	7.0
305.17545	92.8
305.21152	27.4
306.17938	9.8
306.21216	6.4
323.18512	24.6
323.22244	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
58.00577	2.3
59.01375	76.6
69.84136	3.4
71.01379	37.6
72.99303	2.0
83.01381	1.5
85.02955	6.5
87.00866	1.7
88.95674	0.7
89.02438	41.6
95.01376	2.8
98.20592	1.4
101.02438	26.1
104.86837	0.7
113.02444	15.4
119.03503	21.0
131.03497	1.7
143.03488	3.0
149.04599	1.5
161.04439	1.0
161.08121	1.4
161.18874	0.8
179.05598	3.0
188.83960	0.7
222.91273	0.9
265.14386	0.7
323.13440	100.0
324.13773	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	323.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43447	0.4
50.56992	0.4
50.66257	0.3
59.01376	23.8
60.01684	0.4
67.95905	0.4
69.90665	2.3
71.01373	4.9
73.02937	0.4
74.99088	0.8
79.95759	1.5
80.99911	0.4
83.01404	0.4
84.24173	0.4
85.02932	1.1
88.08568	0.4
89.02442	4.9
92.66113	0.5
96.96003	100.0
97.95913	0.4
98.19934	0.5
99.00876	0.4
101.02448	2.7
113.02475	2.0
119.03474	2.0
130.06554	0.4
161.02455	0.5
161.08182	0.5
178.90469	0.4
179.05554	0.6
238.07050	0.7
323.11520	61.7
324.11838	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	323.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
58.00590	1.5
59.01373	85.6
69.88913	4.5
71.01376	43.8
72.99302	2.4
73.02946	1.1
75.72895	0.7
78.48946	0.7
83.01385	1.5
85.02940	6.3
87.00873	2.3
89.02435	47.5
95.01401	3.6
96.96016	3.8
101.02435	25.7
113.02438	15.7
119.03479	23.2
131.03485	2.0
143.03519	2.7
143.07124	0.9
149.04544	1.0
161.04555	1.0
161.08150	1.4
179.05563	2.6
218.77742	0.9
218.86446	1.2
323.13437	100.0
324.13788	8.6
346.41394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.202
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02966	1.8
59.01381	0.4
69.96151	1.0
81.03444	0.8
83.05029	0.2
85.69483	0.2
95.05015	0.9
97.06565	0.6
109.06580	0.8
128.10806	7.8
129.11140	0.5
130.08728	100.0
131.08186	0.3
131.09071	3.8
165.12794	1.2
172.09843	0.4
208.41393	0.3
209.11818	0.3
235.15282	0.3
260.32904	0.2
278.20975	0.2
305.17578	0.3
322.20190	35.2
323.17178	0.3
323.20624	3.8
323.95071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01438	4.7
58.10372	4.5
59.01086	7.2
59.01377	92.3
63.45162	4.6
66.26163	4.7
67.01890	12.5
70.61992	5.2
70.62320	11.6
71.01363	24.6
73.02940	15.4
78.95889	40.7
85.02946	12.2
87.00858	5.9
89.02435	14.5
94.62850	5.0
96.96011	75.3
96.96961	16.3
99.00860	5.8
101.02453	11.9
111.00866	100.0
113.02431	11.0
117.01926	36.6
119.03525	9.2
143.03485	50.6
257.65881	4.8
261.08456	5.2
323.02707	13.0
323.11203	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62952	1.8
59.01374	100.0
69.89375	10.1
71.01378	2.3
76.55955	1.7
92.42706	1.8
94.94782	1.9
98.20599	3.1
103.03986	2.4
141.01724	2.2
165.12764	3.4
175.51491	1.8
191.10765	4.3
215.24567	1.7
245.19081	12.7
248.01161	2.0
289.15005	3.5
289.18076	42.8
290.18521	4.5
317.74323	1.9
321.17435	3.3
321.20654	95.6
322.20905	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2067
Annotation	Rapanone
Peak:m/z	Relative Intensity
56.13200	1.1
57.03434	2.8
59.01370	11.0
69.03403	0.9
70.04884	3.8
70.05280	1.7
71.05015	100.0
72.05349	1.0
73.02926	3.1
76.64795	0.9
81.03447	3.5
83.05019	2.1
95.05013	4.0
97.02992	1.0
97.06574	2.2
106.70515	1.0
107.05014	1.1
109.06584	3.7
111.08109	1.3
123.08143	1.6
125.09715	1.2
137.06049	3.1
141.01631	1.1
149.09717	1.8
151.07588	1.3
151.11253	12.4
167.10828	1.2
191.14392	3.9
193.12328	5.1
205.12418	1.5
207.13901	1.0
217.12329	2.7
225.15021	5.4
233.15457	9.7
235.13332	2.0
237.14906	1.8
238.15228	1.0
245.19218	1.4
247.17165	1.6
249.14922	9.3
250.15472	1.5
265.18076	6.1
277.69559	0.9
289.18018	7.9
306.18323	13.6
307.18607	2.3
321.20657	72.4
322.20969	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	322.093
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
58.00581	3.2
59.01376	100.0
60.01689	2.4
60.95316	1.6
69.37035	6.0
69.37467	8.2
71.01376	49.0
72.69612	1.5
72.99300	4.9
73.60453	1.5
77.93060	1.5
79.95730	1.6
83.01376	2.9
85.02960	7.6
88.73425	1.7
89.02438	51.0
89.95071	1.5
95.01394	3.8
96.95994	14.5
99.78328	1.7
101.02435	27.6
113.02440	21.0
116.05055	32.2
119.03494	20.1
122.66090	1.7
131.03519	1.8
143.03488	2.5
144.04543	2.8
159.03079	1.5
160.04024	62.2
161.04445	3.7
179.05576	4.1
181.06650	1.7
194.05415	2.2
202.05104	32.8
203.05438	3.0
232.06108	4.9
262.07153	40.1
263.07596	3.5
322.09271	67.9
323.09549	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	321.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92678	1.4
57.03434	1.8
59.01124	1.9
59.01374	18.6
61.98792	1.7
70.42157	1.4
70.76556	3.0
70.76895	2.8
71.01375	1.7
71.05020	17.9
81.03455	3.9
83.05032	3.8
83.13006	1.3
93.03469	2.5
95.05013	2.2
97.06587	3.2
102.98788	1.5
109.02939	4.0
109.06568	6.7
111.04509	40.6
111.08134	3.1
111.17688	1.6
118.85870	1.5
121.06549	1.7
123.08121	2.1
127.07629	3.1
133.25714	1.4
135.08049	1.7
137.06088	4.8
137.09709	2.8
141.09204	3.7
149.06044	2.0
149.09685	7.7
151.07622	2.6
159.08119	1.8
159.11729	1.9
163.11200	3.6
175.11179	1.6
177.12813	21.2
191.14342	3.7
195.13811	2.9
200.05464	1.3
218.25383	1.5
233.15424	3.4
235.13393	6.4
245.19084	5.7
249.14796	3.7
271.17245	1.6
289.18036	21.5
303.19775	2.6
306.18396	2.3
321.20657	100.0
322.20935	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	321.1703
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
59.01373	30.0
60.00050	2.0
61.98832	2.1
71.01397	2.7
71.05022	5.6
71.63297	2.9
73.02940	2.8
93.03450	3.3
95.05032	7.8
97.06575	20.2
109.06585	3.7
110.03671	2.7
110.16189	2.1
111.04504	6.5
121.06570	3.0
123.08146	22.3
125.09737	18.4
129.38351	2.1
133.06610	2.7
135.08131	3.7
151.07622	5.1
160.05302	3.4
175.11214	2.5
179.10822	3.8
187.09705	2.4
201.65573	2.2
213.11317	4.6
223.09706	5.2
237.11325	2.1
265.14459	5.6
285.14981	5.7
303.16019	9.9
321.17068	100.0
322.17410	9.5
324.16937	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	321.1703
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.80788	1.5
56.27754	1.4
56.28871	1.5
57.03444	10.8
59.01372	16.9
65.03973	2.2
68.30734	1.4
69.03463	2.7
71.01366	2.3
71.05007	13.7
71.62679	1.9
73.02913	1.6
80.02679	4.3
81.03445	10.5
83.05029	4.8
93.03447	15.5
95.01379	1.6
95.05021	68.0
96.05362	2.3
97.06586	10.8
107.05043	13.2
109.02898	1.9
109.06578	21.6
111.04498	8.7
119.05040	2.1
121.02956	9.3
121.06589	6.5
122.03761	2.1
123.04504	6.0
123.08176	12.7
125.06065	1.8
125.09714	64.5
126.10045	3.0
133.06581	2.7
135.04530	7.1
135.08133	2.0
136.05267	3.7
137.06076	6.8
137.09724	2.4
139.07625	1.8
139.11304	4.5
149.06076	13.4
149.09723	2.0
151.07632	100.0
152.07970	5.3
163.11302	3.2
165.05574	3.4
167.07152	7.8
167.10780	3.8
169.12279	2.7
171.10242	14.0
176.08408	1.8
177.12828	2.7
177.32683	1.5
178.06367	3.4
185.11812	24.5
193.15967	1.6
197.11867	1.9
205.12309	7.1
219.13908	5.1
221.11810	7.6
223.09767	2.5
223.13419	10.6
235.13399	4.2
235.90646	1.7
237.11261	3.6
237.14890	2.3
238.11349	1.8
245.11798	2.2
247.13316	4.6
249.11359	2.6
259.16916	2.3
263.12909	4.8
265.14420	33.6
277.18021	3.4
279.15781	2.0
285.14868	2.4
289.18063	5.8
293.17575	2.2
303.16058	16.4
304.16522	1.6
321.17059	42.8
321.20621	4.8
322.17328	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	321.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01852	0.7
59.01374	100.0
60.01708	1.7
60.06707	0.7
63.10469	0.7
66.19938	0.7
69.82897	2.2
69.83308	1.1
70.86150	0.7
71.01384	2.3
72.23928	0.6
72.99323	0.6
73.02965	1.1
81.26103	0.6
83.33176	0.7
85.02963	1.3
89.02425	0.9
96.96008	9.6
98.20609	0.8
101.02457	2.7
106.36893	0.7
113.02449	1.2
122.82869	0.7
151.49034	0.7
161.04518	1.2
165.89392	0.8
173.22243	0.7
193.34779	0.6
258.98401	0.7
261.13525	2.3
321.10199	5.5
321.13641	1.1
322.10056	0.7
341.26154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21200	0.6
57.03427	0.6
58.19744	0.6
59.01372	100.0
60.01723	0.7
65.98846	0.6
69.73487	1.0
69.73899	2.6
70.05328	0.6
71.01371	4.7
85.02943	1.7
89.02437	6.3
96.95996	1.6
101.02441	2.4
113.02430	2.9
119.03510	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
58.00584	1.5
59.01373	63.6
64.58632	0.6
71.01375	18.5
71.62728	1.1
72.99286	2.2
73.02946	0.9
80.42646	0.7
83.01364	1.0
85.02930	4.3
87.00869	1.7
89.02434	15.0
95.01360	1.3
99.00899	0.9
101.02431	13.0
113.02448	7.2
113.09720	24.5
119.03481	5.3
130.12495	0.7
141.09195	5.0
143.10760	1.7
149.86952	0.7
155.10768	2.1
159.10249	57.6
160.10562	1.7
161.04648	0.8
173.04584	1.3
179.05553	1.6
201.11267	1.5
321.15494	100.0
322.15805	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61517	0.6
59.01376	100.0
60.01715	1.5
71.01376	4.6
73.02942	2.0
83.01397	0.7
85.02956	2.3
87.00877	0.6
89.02437	0.8
96.84749	0.6
96.96037	2.5
98.20699	1.7
99.00876	0.9
101.02451	3.5
107.17689	0.7
113.02438	1.4
115.22569	0.7
117.07853	0.6
161.04562	1.9
190.42642	0.6
210.03151	0.7
225.74980	0.7
229.41809	0.8
278.75760	0.7
279.14453	3.0
304.57040	0.7
321.10236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02365	0.7
58.90642	0.7
59.01374	100.0
60.01717	1.8
62.31722	0.7
66.33788	0.5
67.01893	0.8
69.67395	3.8
71.01378	4.1
77.80995	0.6
78.95923	0.6
85.02967	0.8
89.02419	4.4
93.03480	2.9
96.95988	1.0
98.20592	1.2
101.02436	1.6
102.98588	1.1
106.44131	0.6
111.04510	0.7
113.02449	1.4
115.00365	0.8
119.03517	1.1
119.34666	0.6
120.99660	0.8
122.06151	2.1
128.07172	0.6
136.07690	2.0
137.02452	0.6
147.04546	2.0
150.90482	0.6
167.05832	1.3
173.04524	12.5
179.05632	1.1
184.06308	0.9
259.10965	1.3
277.12000	1.7
279.86206	0.8
321.04065	1.1
321.10776	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	321.101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70134	0.2
55.16964	0.2
55.17249	0.3
57.03440	0.4
59.01373	3.7
71.20266	0.5
77.63529	0.2
79.95723	1.6
80.41232	0.2
87.00855	0.4
96.96004	100.0
97.95947	0.5
101.02460	0.5
120.99650	0.9
162.05551	0.2
165.09219	0.3
229.56284	0.2
279.14410	0.3
303.09024	0.6
307.74115	0.2
321.10086	43.0
322.10422	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65003	0.2
56.94870	0.3
58.00546	0.2
58.80653	0.3
59.01375	100.0
60.01705	1.1
64.72781	0.2
65.56480	0.3
69.31364	0.3
69.48185	0.6
69.48592	1.4
71.01373	3.1
82.67699	0.3
85.02947	0.8
85.06520	0.2
89.02442	4.5
89.03534	0.2
96.96003	1.2
98.19901	0.5
99.92599	0.3
101.02412	1.5
113.02431	1.4
114.72512	0.3
119.03509	2.0
136.07629	0.3
143.03549	0.4
161.04585	0.4
162.43001	0.2
178.90884	0.3
179.05653	0.7
189.13869	0.3
215.11990	0.2
242.85815	0.3
321.10464	0.9
321.15628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60384	0.3
52.97282	0.4
54.76722	0.4
57.03439	1.0
59.01093	0.5
59.01378	7.7
60.99265	0.7
67.01883	4.6
67.41991	0.4
69.03439	1.0
71.01374	5.8
71.63446	0.8
72.99305	0.4
73.02938	1.3
77.59894	0.4
78.56351	0.4
80.96523	0.4
81.03452	0.8
83.01373	0.7
83.05019	0.8
85.02940	2.0
85.05009	0.4
89.02434	0.4
93.03451	25.8
94.03754	0.6
95.01387	0.6
96.96008	0.7
99.00859	0.5
101.02438	2.3
103.05505	0.7
108.74606	0.4
108.93324	0.4
109.02928	1.0
111.00859	0.7
111.04507	4.7
113.02422	1.6
121.02957	0.4
136.03993	0.5
137.02435	4.1
147.04510	18.7
148.04895	1.0
155.03481	4.2
161.04539	1.0
165.94086	0.5
173.04527	100.0
174.04875	3.8
240.11896	0.4
321.09818	4.3
321.13562	0.9
321.19089	1.4
322.10159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0976
Annotation	4-O-Cinnamoyl quinic acid
Peak:m/z	Relative Intensity
52.23755	0.4
57.03434	0.7
59.01372	15.2
67.01886	4.7
69.03449	1.3
71.01379	3.2
71.63374	0.5
81.03452	0.6
83.05045	0.9
85.02930	1.0
87.00862	0.5
93.03452	26.6
94.03794	1.1
96.96002	1.1
99.04482	0.6
103.05534	0.8
109.02990	0.6
111.00891	1.3
111.04532	3.9
113.02402	0.5
119.03494	0.4
137.02444	3.7
146.68988	0.4
147.04515	13.8
148.04826	0.6
155.03471	3.3
173.04541	100.0
174.04900	4.9
191.05437	0.5
198.70108	0.4
233.06042	1.1
243.15025	0.4
249.05759	0.5
321.03876	3.1
321.09741	2.7
321.13263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1395
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.47131	0.6
55.01884	0.9
58.00584	2.0
59.01376	61.6
60.89278	0.7
69.78949	2.9
69.79348	1.7
71.01378	32.0
72.99301	2.2
79.95727	3.6
80.96519	2.2
83.01381	2.7
85.02944	8.0
87.00877	4.2
89.02439	30.5
89.02894	0.5
94.73513	0.7
95.01373	2.3
96.95965	1.0
101.02433	19.1
113.02439	11.4
114.93095	0.7
117.74847	0.7
119.03490	11.7
131.03461	0.7
139.07637	14.4
143.03513	0.7
149.04578	0.8
157.08676	1.4
161.04468	1.0
168.96335	1.2
179.05740	0.9
182.74530	0.6
196.95856	3.5
219.43533	0.6
246.02925	0.8
316.66595	0.8
319.13950	100.0
320.14267	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	319.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70261	0.6
58.02977	6.4
59.01374	6.9
61.40021	0.6
61.46038	0.7
64.20013	0.7
70.37349	1.7
70.37743	1.3
71.01385	0.8
72.00907	4.5
72.16930	0.7
81.84005	0.8
82.06605	2.1
91.05521	9.4
103.05531	0.7
103.09010	0.8
112.07667	4.1
118.06608	3.2
126.09262	1.7
129.10336	66.7
130.10669	3.1
132.91089	0.7
147.04512	25.0
148.04822	1.2
153.10316	3.2
154.08727	11.8
156.10228	0.8
164.07156	60.8
165.07457	3.2
171.11389	48.3
172.11714	2.2
183.11375	1.1
216.13889	1.5
233.16559	32.4
234.16916	2.6
275.17596	4.6
277.15540	2.5
319.16589	100.0
320.16986	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	319.1909
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
53.41674	1.5
53.63520	1.7
59.01376	7.0
69.03449	12.9
71.05016	100.0
71.63505	2.8
81.03458	7.8
81.26668	1.7
83.05010	4.6
84.41032	1.8
85.51250	1.7
87.00999	1.9
93.03481	3.7
95.01382	15.2
95.05029	6.9
95.66022	1.8
97.02953	14.3
97.06585	5.5
106.04227	3.0
107.05029	4.1
108.02191	6.7
109.02940	5.6
109.06607	4.0
110.03766	2.9
111.04536	2.3
111.08145	3.0
119.05040	7.8
121.02935	2.5
121.06570	13.3
122.03752	3.7
123.04538	2.3
135.04543	4.6
135.08139	2.3
135.24100	1.9
136.05286	9.9
147.04517	4.6
161.06097	3.9
164.77783	1.9
164.79091	1.9
176.08434	2.4
177.12898	2.5
203.11055	2.3
203.14381	1.8
215.10814	5.6
225.16524	1.9
229.12370	2.8
231.13818	18.6
243.17488	14.1
245.15582	2.9
247.13435	8.8
259.13184	1.8
259.16855	4.3
263.16519	17.1
275.20200	2.9
287.16498	43.2
287.19504	2.4
288.16934	5.7
291.19647	4.2
301.18076	4.2
304.16864	5.1
319.19183	90.7
319.22803	15.2
320.19595	10.0
320.23013	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	319.1393
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.94790	0.8
55.01868	3.4
57.03435	1.8
58.00575	1.1
58.99614	1.0
59.01374	75.3
67.01881	1.6
69.03456	1.4
69.57135	5.8
71.01373	42.1
72.01712	1.0
72.99306	2.8
73.02941	16.2
74.99117	1.1
75.00837	1.4
75.51089	1.0
76.01201	0.9
79.95728	20.6
80.96510	15.3
83.01379	7.6
85.02943	15.8
87.00869	25.3
89.02433	22.8
93.03450	9.1
95.01358	3.4
96.96001	100.0
99.00848	3.2
101.01765	1.8
101.02432	33.6
102.98576	2.3
109.02967	1.0
111.00867	1.4
111.04440	1.5
113.02438	17.2
113.03579	1.1
119.03500	8.2
120.95770	0.9
124.93700	1.4
126.95255	3.1
130.08728	1.2
131.03568	1.1
137.02438	1.5
138.05690	1.0
143.03459	3.0
145.08731	5.8
149.04607	1.0
152.96873	4.9
155.03473	1.4
157.08669	1.5
159.02972	2.4
161.04518	12.7
168.96326	8.4
173.04527	34.0
174.04840	1.7
178.05055	1.2
179.05588	1.9
196.95808	27.1
197.96075	1.1
251.07297	0.9
275.10187	1.4
275.15018	5.6
301.07523	1.3
301.12445	1.1
318.99533	4.6
319.08466	14.8
319.13858	42.5
319.17465	1.5
320.08698	1.1
320.14230	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1393
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
50.30090	0.8
55.01866	0.8
57.03453	1.9
58.00595	1.2
58.65633	0.8
59.01376	37.6
62.15059	0.7
71.01378	22.1
72.99304	1.8
73.02939	3.3
75.00866	0.8
83.01373	3.5
85.02926	6.7
87.00893	1.9
89.02438	15.5
95.01355	1.8
96.96001	2.1
99.00889	1.9
101.02434	17.9
111.08147	20.9
112.08467	1.2
113.02451	8.4
115.40293	0.7
119.03517	5.4
121.05321	1.3
122.06113	1.5
123.03224	1.4
124.04003	2.1
136.07657	8.7
137.06082	1.5
138.05594	10.5
139.07629	5.3
141.09251	1.1
153.09183	1.2
157.08684	64.3
158.09007	2.8
161.04512	1.5
182.04468	1.0
183.05460	0.8
184.06131	3.5
199.09697	2.0
201.11185	1.5
209.11900	1.0
231.11151	0.8
257.12903	3.1
319.13940	100.0
320.14301	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	319.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	3.3
59.01375	55.4
61.98812	3.6
67.01866	4.1
71.01388	11.1
71.62357	2.8
73.02924	2.4
74.99065	2.4
79.95733	2.9
81.03458	2.8
83.05022	20.7
85.02941	3.4
87.00860	5.0
88.05203	1.7
89.02419	4.1
93.03458	27.2
96.95994	15.3
96.96922	2.4
101.02398	4.3
101.06063	15.0
111.04505	4.9
113.02436	6.6
121.02943	3.8
127.03974	1.9
137.02441	4.1
138.05696	2.4
145.03990	3.3
145.05055	45.7
145.08632	1.7
155.03494	5.7
170.52556	2.1
173.04530	100.0
174.04858	3.9
191.05577	5.4
207.92110	1.9
319.05209	2.1
319.10385	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
66.03062	0.2
69.82691	0.4
69.83096	0.8
71.01379	0.3
71.05000	0.3
71.94228	0.2
79.95736	1.5
85.02953	0.3
87.00869	0.5
90.33636	0.2
93.03436	0.5
93.91246	0.2
95.05035	0.3
96.96004	100.0
97.02941	0.7
97.95931	0.4
98.20653	0.3
101.02425	0.4
109.02956	0.3
118.98099	0.2
119.05036	0.6
139.04001	1.2
153.01938	0.5
173.04567	1.3
183.02957	2.2
184.67715	0.2
201.11296	0.2
209.11819	0.5
239.50038	0.2
246.86203	0.2
260.52109	0.2
306.79599	0.2
319.12164	26.9
320.12515	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	319.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76178	0.8
51.85832	0.8
59.01384	8.9
70.04977	0.8
71.01376	4.3
71.32477	1.7
73.89804	0.8
79.02609	0.9
82.56805	0.8
84.04548	1.3
87.30393	0.8
92.18490	0.8
93.03454	1.8
95.05027	1.3
96.95992	8.3
99.86353	0.8
109.01711	1.6
110.02450	1.7
112.04035	11.2
113.02528	1.0
120.04547	7.5
120.99641	5.5
121.02965	1.2
121.05346	8.9
122.06116	16.1
123.03261	14.0
124.04049	15.7
134.06119	2.5
136.07671	89.0
137.06075	10.1
137.08022	3.5
138.05597	100.0
139.05934	3.4
140.07162	5.6
145.08675	1.5
150.05551	2.2
163.06398	1.0
173.04533	9.3
182.04605	8.7
183.05363	6.2
184.06119	24.7
195.13977	1.0
201.11320	3.5
202.11487	1.0
203.08234	2.4
209.11824	3.9
214.12317	1.8
215.04332	1.4
242.10480	1.1
257.12921	22.5
258.11053	1.8
258.13443	1.9
275.13873	1.2
283.07117	1.9
301.11847	2.1
319.08673	3.9
319.12988	9.1
319.21216	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	318.9949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36877	0.6
58.99602	3.7
59.01376	6.1
60.01705	0.8
67.01862	0.8
69.85548	3.9
71.01366	2.3
72.99301	1.9
79.95733	70.0
80.96513	43.3
85.02921	1.3
87.00872	82.5
88.01212	1.2
89.02426	1.9
93.03450	2.0
93.97338	1.0
94.98076	2.0
96.94199	0.9
96.96001	4.7
98.20614	0.8
99.00903	0.8
99.91244	0.8
101.02446	1.3
102.98609	7.6
103.00457	0.7
106.98092	0.9
109.03082	0.8
113.02439	0.9
120.99645	1.1
121.02956	1.3
124.93716	3.0
126.95280	7.7
146.02441	1.1
152.96848	13.1
161.04593	0.9
168.96327	31.6
173.04466	3.5
196.95821	100.0
197.96117	2.2
243.12396	3.2
247.04022	0.7
257.13110	0.8
288.69760	0.7
318.99454	21.9
319.02158	1.0
319.08667	2.0
319.13959	4.9
319.99850	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	319.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99569	68.4
70.62137	1.5
70.62469	1.2
71.01400	1.2
72.99319	0.9
74.73557	0.9
86.74701	0.8
112.98559	100.0
113.98940	1.4
130.08733	1.4
258.41666	0.8
269.55728	0.8
290.02762	1.1
319.05463	1.7
319.12665	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	317.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20840	0.4
57.03439	1.0
59.01374	3.6
65.03967	0.5
67.01888	5.2
69.03447	1.4
70.95280	1.0
70.95619	0.5
71.01382	4.0
72.25085	0.4
80.96510	1.2
81.03418	0.5
83.05019	1.2
85.02932	1.1
91.83600	0.5
93.03450	25.7
94.03773	0.5
109.02918	0.6
111.00864	1.0
111.04510	4.1
114.06525	0.5
119.61301	0.5
135.04536	0.5
137.02428	5.9
143.10759	30.3
144.11108	1.8
145.01965	0.5
155.00871	0.4
155.03464	5.6
161.02426	0.6
173.04529	100.0
173.29169	0.4
174.04887	4.5
184.39803	0.5
223.93575	0.4
237.11234	0.5
263.12964	0.8
317.05576	1.8
317.10593	0.6
317.16138	10.0
317.19693	0.8
318.16470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90698	1.4
57.03440	2.8
59.01376	18.4
61.12556	1.2
69.00103	1.7
69.34809	1.2
71.01379	13.1
71.05028	5.8
71.63532	1.5
72.99302	3.3
73.02954	5.5
75.00871	7.0
77.08367	1.3
79.95707	2.0
80.12289	1.3
80.96510	7.7
83.05046	2.9
85.02940	2.8
89.02422	2.1
93.03463	2.1
94.98069	1.9
96.96002	4.2
97.02959	6.7
97.06624	2.9
99.00874	30.8
99.04548	1.8
101.02443	4.7
109.06569	1.8
113.02493	2.3
117.01926	1.6
123.08181	1.9
124.68770	1.6
125.09721	14.0
127.11230	2.0
130.66278	1.4
138.05544	1.5
142.02692	1.7
151.11287	2.2
153.12958	2.2
155.14421	1.6
163.11284	16.9
171.10364	2.9
173.04565	3.3
181.12328	48.8
182.12703	4.1
189.09245	1.8
191.05650	1.4
197.11844	1.6
199.13368	35.2
200.13748	2.8
207.10252	46.4
208.10591	3.4
209.11838	1.5
213.11324	4.3
225.00655	2.6
225.11293	91.4
226.07521	1.9
226.11632	6.7
231.12352	8.1
243.12343	94.8
244.12761	6.3
249.01706	1.5
255.11499	10.1
257.04764	1.5
263.16556	1.6
271.09766	2.4
273.12631	23.9
274.12997	2.3
299.09387	1.8
317.05569	14.9
317.10620	13.7
317.16104	100.0
317.19754	20.1
318.10721	1.7
318.16446	10.9
318.19836	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	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54582	0.4
57.03419	1.0
59.01371	2.1
59.67080	0.4
60.99304	0.7
67.01881	4.2
69.03429	1.2
71.01369	3.3
71.38549	0.6
72.77437	0.4
73.02946	0.7
81.03447	0.8
83.05020	1.7
85.02924	0.5
87.00875	0.6
93.03450	25.4
94.03783	1.1
99.08147	3.9
109.02950	0.7
111.00870	0.9
111.04506	4.1
112.04899	0.4
119.04975	0.6
125.74706	0.4
137.02426	4.8
143.07129	9.6
144.07504	0.4
155.03479	5.0
156.03767	0.4
158.01842	0.4
173.04530	100.0
174.04887	4.3
191.05569	0.9
222.57959	0.4
225.00681	0.5
317.05563	0.6
317.12393	10.6
318.12466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90698	1.4
57.03440	2.8
59.01376	18.4
61.12556	1.2
69.00103	1.7
69.34809	1.2
71.01379	13.1
71.05028	5.8
71.63532	1.5
72.99302	3.3
73.02954	5.5
75.00871	7.0
77.08367	1.3
79.95707	2.0
80.12289	1.3
80.96510	7.7
83.05046	2.9
85.02940	2.8
89.02422	2.1
93.03463	2.1
94.98069	1.9
96.96002	4.2
97.02959	6.7
97.06624	2.9
99.00874	30.8
99.04548	1.8
101.02443	4.7
109.06569	1.8
113.02493	2.3
117.01926	1.6
123.08181	1.9
124.68770	1.6
125.09721	14.0
127.11230	2.0
130.66278	1.4
138.05544	1.5
142.02692	1.7
151.11287	2.2
153.12958	2.2
155.14421	1.6
163.11284	16.9
171.10364	2.9
173.04565	3.3
181.12328	48.8
182.12703	4.1
189.09245	1.8
191.05650	1.4
197.11844	1.6
199.13368	35.2
200.13748	2.8
207.10252	46.4
208.10591	3.4
209.11838	1.5
213.11324	4.3
225.00655	2.6
225.11293	91.4
226.07521	1.9
226.11632	6.7
231.12352	8.1
243.12343	94.8
244.12761	6.3
249.01706	1.5
255.11499	10.1
257.04764	1.5
263.16556	1.6
271.09766	2.4
273.12631	23.9
274.12997	2.3
299.09387	1.8
317.05569	14.9
317.10620	13.7
317.16104	100.0
317.19754	20.1
318.10721	1.7
318.16446	10.9
318.19836	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	317.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81791	0.5
54.90136	0.5
59.01355	0.6
59.90450	0.6
63.96263	0.6
66.37785	0.5
66.69347	0.5
70.85893	0.6
71.01373	4.8
71.28056	1.0
73.02938	1.3
78.95912	4.9
78.98582	3.2
79.95727	5.3
80.96510	46.8
82.02428	0.5
85.02939	1.8
87.00848	2.1
94.98077	9.5
96.95981	0.6
97.02953	1.1
99.00885	0.6
101.02435	1.7
106.98067	2.2
110.98538	3.8
120.74899	0.5
120.99628	1.3
122.97578	1.9
125.02452	3.4
127.04024	1.0
134.97554	3.1
148.99176	3.9
152.98657	4.3
160.89268	0.8
164.98628	9.5
167.00172	0.7
206.99660	2.1
225.00723	14.2
317.05429	100.0
318.05829	5.5
322.33755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49500	0.4
57.03430	1.0
59.01384	2.8
60.99306	0.9
67.01886	5.5
69.03455	0.8
69.82559	2.2
71.01376	3.7
71.04988	0.5
73.02957	0.5
80.96504	1.2
81.03455	1.1
83.01396	0.6
83.02893	0.4
85.02942	1.0
87.00880	0.8
93.03452	26.0
94.03796	0.8
96.96005	1.1
96.97021	0.5
99.04481	0.7
109.02961	0.8
111.00878	19.5
111.01643	1.0
111.04523	3.8
112.01202	0.6
115.04045	0.5
120.99641	0.5
136.77072	0.5
137.02429	4.8
137.65523	0.5
143.03491	7.5
143.07138	1.7
155.03499	4.5
173.04533	100.0
174.04889	4.8
199.12463	1.1
225.00746	0.6
225.10402	0.6
225.37997	0.6
238.35147	0.5
242.38235	0.4
273.12454	2.6
317.05417	3.2
317.08679	2.1
317.12125	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	315.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20196	1.6
53.11146	1.6
54.69045	1.5
57.03468	1.6
59.01365	7.6
60.10334	1.6
65.56891	1.5
79.05517	6.9
83.05020	4.2
84.87521	1.8
86.07019	1.6
98.20654	3.9
119.08672	10.0
121.06577	3.1
131.08655	3.0
137.09712	2.7
140.16081	1.8
165.90685	1.7
182.01360	1.7
217.00269	2.9
253.19467	5.8
271.20712	15.7
278.11392	1.8
315.19568	100.0
316.19785	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	316.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
59.06559	0.3
65.99858	0.3
69.01503	0.3
69.31772	1.2
69.32199	1.1
71.01353	0.4
80.54926	0.3
95.01384	0.2
98.20712	0.3
119.04998	0.6
119.89742	0.3
123.00883	2.1
124.01662	6.2
153.00644	2.7
154.01448	100.0
155.01781	3.6
173.04585	0.3
195.96483	0.3
209.11818	1.2
227.12950	0.3
239.12924	0.4
299.14893	0.9
316.06702	18.2
317.06378	1.3
317.10437	0.3
317.15961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62346	0.4
55.42644	0.4
58.46309	0.4
59.01363	0.7
69.03436	0.6
70.42600	1.4
71.01370	5.3
73.02915	0.6
74.46466	0.5
78.98582	4.3
79.95725	5.6
80.96510	46.4
81.03448	0.8
85.02940	1.8
87.00867	2.1
87.01305	0.5
91.72491	0.4
94.98080	10.0
96.95978	0.7
97.02931	1.2
101.02434	1.7
104.93481	0.4
106.98081	2.4
113.02521	0.6
122.97595	2.4
125.02453	2.1
134.97577	4.6
136.99103	1.0
148.99133	4.3
152.98624	5.2
164.98631	8.5
172.49219	0.4
188.98734	0.5
206.99644	1.9
225.00719	15.0
226.01103	0.7
233.37982	0.4
240.69110	0.4
317.05429	100.0
318.05792	6.8
330.89120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.20472	0.6
59.01377	1.6
65.83624	0.7
71.01376	2.3
71.31531	1.2
73.02964	0.8
75.42784	0.7
83.01398	0.7
85.02932	3.3
93.03456	1.0
93.61639	0.6
95.01381	0.9
101.02385	0.8
108.02168	100.0
109.02956	61.9
109.03524	0.5
109.04034	1.1
110.03288	2.1
113.02394	1.0
117.11618	0.6
121.02937	1.1
123.00868	1.3
123.04476	1.1
135.00876	1.5
135.02980	1.0
142.99829	1.1
151.03970	1.0
152.01138	64.2
153.01932	60.5
153.02892	0.7
154.02289	2.2
161.00835	0.8
163.03987	1.7
165.01955	1.7
173.04457	1.9
177.01787	0.7
186.25575	0.7
195.58325	0.8
242.07977	0.9
315.07190	85.0
316.07565	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	315.1446
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
55.01868	0.4
56.30149	0.4
57.03436	0.9
58.24369	0.4
59.01367	3.9
69.03448	3.9
71.01378	1.5
71.05042	2.1
71.05378	0.5
71.20837	0.4
71.63167	0.4
83.05025	0.5
85.02934	0.5
87.48736	0.4
89.02431	0.9
91.03992	1.8
97.06604	0.9
123.08140	0.8
125.09706	1.8
126.10070	0.4
132.04587	0.6
136.07730	0.4
137.09741	0.4
149.09723	0.6
151.11256	2.0
153.01892	0.5
153.12834	1.7
161.09683	4.2
179.10750	14.3
180.11186	0.8
186.36147	0.4
187.32988	0.4
197.11809	100.0
197.73534	0.5
198.12143	6.9
223.09764	1.8
224.09904	0.4
241.10796	17.9
242.11137	1.1
271.10840	1.2
281.73236	0.4
315.14462	50.8
316.14868	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	315.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.1
57.03439	4.7
58.00586	2.1
59.01374	50.1
69.77048	6.4
71.01377	100.0
72.01731	1.8
72.99317	2.8
73.02944	27.7
75.00862	2.1
78.40381	1.0
83.01379	10.4
85.02943	40.5
86.03306	1.3
87.00860	3.1
89.02438	22.7
95.01370	8.7
95.65474	0.9
97.02936	2.5
99.00871	16.3
101.02437	54.3
102.02779	2.3
102.86907	1.0
113.02441	41.4
116.82793	1.0
119.03494	6.5
125.02456	3.0
143.03520	3.1
159.02982	7.6
161.03229	1.4
161.04553	24.3
251.56033	1.0
307.87479	1.1
311.69531	1.1
315.17975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.01857	4.1
57.03448	13.0
59.01372	14.4
71.01380	45.4
71.16666	2.8
71.16998	1.8
73.02944	15.4
75.00869	2.3
77.77036	1.4
83.01363	4.3
84.02137	2.4
85.02946	100.0
86.03283	2.1
87.00858	3.7
89.02406	3.2
93.03432	4.7
95.01352	3.8
99.00862	6.8
101.02431	24.7
106.04240	7.7
107.05025	87.2
108.02153	3.8
108.05368	4.3
111.00869	3.7
113.02450	16.8
121.02943	6.8
129.01923	7.9
147.03004	12.7
151.03998	58.7
152.04388	4.1
159.02998	3.7
161.04553	13.3
173.04491	3.1
191.01987	16.5
253.09151	5.2
277.00714	3.6
313.05594	3.1
313.09024	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	313.238
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.41885	0.5
52.43862	0.5
57.90547	0.6
59.01374	3.4
70.06356	2.4
71.01392	0.7
98.20526	1.0
101.02415	0.8
121.02985	1.3
127.11292	1.4
137.09691	0.7
139.11314	1.3
141.12871	1.0
145.02898	0.9
155.10785	3.0
161.04541	0.6
171.10242	4.7
207.09999	2.7
249.26900	0.7
253.09248	2.2
276.17813	0.7
295.22803	7.3
296.23108	1.5
311.22156	1.3
313.17868	5.6
313.23828	100.0
314.24164	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.42986	0.6
54.73233	0.6
55.99442	0.5
71.01375	2.4
71.37057	0.8
73.02927	1.1
81.03419	0.6
85.02948	1.9
85.25266	0.6
86.34097	0.6
86.82404	0.6
94.77116	0.6
95.01381	1.3
99.00883	0.7
108.02168	100.0
109.02963	42.6
110.03310	1.3
123.00922	1.3
123.04551	1.0
131.79889	0.6
151.03970	1.3
152.01144	66.6
153.01936	47.1
153.03047	0.5
153.03271	1.0
154.02258	2.3
154.71130	0.6
163.04071	1.7
165.01903	1.9
315.07187	81.2
316.07513	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	313.0926
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
57.03491	0.2
59.01377	4.7
64.41209	0.2
69.94893	0.7
69.95292	0.5
70.04495	0.2
71.01369	2.7
81.00936	0.2
83.05053	0.2
85.02953	1.5
88.04006	0.5
88.80255	0.2
89.02433	3.1
101.02446	1.8
107.05040	0.8
108.02134	0.4
109.02946	3.1
111.00906	0.5
112.08499	0.2
113.02448	1.0
116.07140	0.4
116.11893	0.2
119.03497	1.2
119.72784	0.2
119.91264	0.2
123.00888	0.8
123.04536	0.5
124.01669	0.6
143.03502	0.3
143.04593	0.5
150.03226	1.4
151.03993	100.0
152.04330	4.4
161.04457	0.4
173.04533	0.3
174.32814	0.2
191.01794	0.3
253.09221	0.4
277.12338	0.6
306.97745	0.3
313.09271	9.3
313.12491	0.4
314.09628	0.6
314.20947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01385	1.1
71.58604	0.3
74.24896	0.2
77.03969	0.4
83.60487	0.2
89.37447	0.2
90.60533	0.2
121.02946	100.0
122.03276	4.0
137.80106	0.2
171.46753	0.2
180.05780	0.9
181.06581	4.7
182.06924	0.3
203.37175	0.2
225.05537	6.1
226.05910	0.7
253.09329	0.7
267.95865	0.2
313.07138	16.9
314.07413	1.4
333.84790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0925
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.01855	1.7
55.35655	1.2
57.03427	1.8
58.00588	3.2
58.02965	1.7
59.01374	100.0
71.01378	65.3
72.01693	1.5
72.99291	6.7
73.02941	2.7
83.01383	2.4
85.02950	18.4
87.00903	3.6
88.04032	5.6
89.02437	70.3
93.03455	1.9
95.01398	5.5
96.67927	1.2
99.00869	2.0
99.05642	1.2
101.01759	2.7
101.02437	45.2
107.05019	26.0
108.05323	1.4
109.02953	2.0
113.02438	27.2
113.29830	1.3
119.03498	30.0
120.99668	1.5
123.04514	9.4
123.99870	1.2
131.03473	3.1
133.06924	4.1
143.03482	4.4
143.04607	9.7
147.03136	1.4
150.03206	9.6
150.06776	2.5
151.03990	36.3
160.09250	1.2
161.04558	4.7
173.04535	2.1
179.05600	3.2
179.39491	1.4
190.45146	1.5
191.01991	1.6
191.05568	1.8
253.09177	5.3
277.12225	11.9
313.09167	18.9
314.20764	3.3
320.45544	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.4
68.70412	0.8
69.43892	5.8
69.44312	1.8
85.08299	0.8
97.38647	0.9
115.09509	1.0
125.05991	0.9
125.09704	3.9
139.11301	1.3
141.09180	1.5
141.12776	1.3
144.69067	0.8
153.09183	2.4
153.12805	1.0
155.14348	1.6
171.10265	2.3
181.16051	0.9
186.45770	0.8
200.10422	2.7
249.22165	2.5
267.23273	1.1
293.21265	5.6
311.22247	100.0
312.22672	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	312.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
61.98824	1.6
69.19212	0.5
69.54053	3.1
74.35085	0.5
90.89673	0.6
91.05514	0.6
96.38990	0.5
99.80128	0.6
119.05078	1.1
124.01649	1.0
125.39959	0.6
133.02972	1.1
133.05360	2.7
134.03761	4.8
135.04512	23.2
136.03961	1.0
136.04874	1.4
137.02446	0.6
147.04501	7.9
148.05296	88.2
149.05675	3.4
150.01953	0.9
150.03212	1.4
160.04004	0.8
161.02380	1.4
162.03185	0.8
176.03522	5.8
177.04272	2.7
178.05083	39.7
179.05440	1.9
188.77737	0.6
190.05077	26.1
191.05576	1.3
206.04564	1.0
253.08702	3.0
296.09052	0.7
297.10043	18.3
298.10251	1.4
312.12378	100.0
313.12766	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79522	0.9
56.40120	1.0
57.03439	1.5
57.44230	0.9
66.32903	1.0
66.80421	0.9
70.20058	3.3
94.10107	1.1
97.06592	1.4
99.08144	1.5
113.09747	1.1
119.88916	1.0
125.09687	2.9
127.11269	4.3
129.09198	2.0
137.52136	1.0
137.89679	1.1
139.11292	9.4
140.06174	1.0
151.11244	2.0
155.10774	2.2
171.10258	48.8
172.10558	1.5
181.12247	2.2
183.10248	3.7
185.11810	7.7
197.11823	3.9
199.10020	1.0
199.13385	1.1
201.11284	8.1
211.13390	6.0
229.14404	1.0
275.20096	3.9
293.21225	11.9
294.21542	1.8
311.22247	100.0
312.22650	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.5
64.52876	0.5
70.36913	0.6
70.37228	1.2
76.75238	0.4
79.63067	0.4
97.06561	0.4
99.08094	0.5
113.09698	1.0
115.07612	1.3
127.07611	0.5
128.08406	1.1
167.14420	3.0
183.13890	3.0
195.13872	12.3
195.15717	0.6
196.14133	0.6
211.13335	1.4
213.14938	1.8
242.15332	0.9
249.22086	0.6
265.21664	1.0
293.21252	8.0
294.21564	0.6
311.22241	100.0
312.22580	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01361	0.8
61.36954	0.4
61.37276	0.4
65.02927	0.4
69.43681	0.8
69.44066	3.0
71.85303	0.4
79.97559	0.4
84.84277	0.4
88.78049	0.4
89.66908	0.4
97.06580	0.7
98.20612	0.8
123.08134	0.9
125.09721	5.0
139.11261	2.0
141.09206	2.1
141.10156	0.3
141.12866	1.0
143.10709	0.5
153.09230	1.4
155.10847	0.6
155.14404	1.7
157.12292	1.3
160.99113	0.4
161.16980	0.4
167.10744	1.6
171.10312	1.9
183.13797	0.5
185.11838	0.7
197.07549	0.4
199.09703	0.7
200.10515	1.8
239.23766	0.7
249.22133	2.5
265.21765	1.0
267.23300	1.3
275.20117	1.2
283.22620	0.5
293.21176	6.6
294.21664	0.5
311.22241	100.0
312.22571	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01384	2.9
67.47018	1.0
70.84736	3.7
75.74391	1.0
97.06602	1.3
99.67085	1.0
113.09734	3.2
121.10184	1.4
125.09707	2.9
137.09697	1.3
139.11275	10.8
150.85033	1.0
153.09213	1.0
155.10793	1.0
163.11319	1.6
167.10846	1.1
171.10277	18.0
172.10614	1.2
173.40424	1.1
201.11084	1.0
211.13354	2.0
249.22209	3.5
293.21201	54.4
294.21594	5.8
311.22229	100.0
312.22665	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
59.01368	3.3
97.06559	1.3
113.09698	2.2
113.23815	1.0
121.10208	1.0
121.97699	1.1
125.09713	2.3
127.11284	1.3
139.11281	11.9
163.11279	2.3
167.10757	1.7
168.11562	1.0
171.10272	16.1
181.12315	1.0
185.11816	1.3
203.72182	0.9
211.13474	2.0
249.22202	4.2
275.20102	1.0
293.21188	56.3
294.21497	6.3
300.22778	1.2
311.22235	100.0
312.22592	12.8
316.21826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38021	1.3
51.62288	0.8
51.73310	0.9
56.13654	0.9
57.03442	1.4
59.01374	100.0
71.01370	1.7
71.62704	1.1
76.65373	1.1
83.05027	1.6
87.00871	1.2
88.15804	1.1
97.98089	1.0
99.08151	1.3
101.02432	1.2
139.11240	2.7
157.02959	2.7
159.85890	1.4
171.10233	5.0
183.13869	1.3
195.04512	1.2
201.77010	1.2
203.14229	1.4
211.03889	1.4
211.13388	1.9
214.06308	1.3
215.06526	1.4
225.14835	1.5
227.32608	1.2
234.79276	1.1
239.03568	1.4
251.11345	1.4
267.02887	4.5
276.09613	1.1
293.00803	1.4
293.17844	2.2
293.21127	14.2
311.01965	5.3
311.22241	53.2
312.22607	5.2
333.80011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1861
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
58.67760	0.7
59.01091	1.7
59.01374	22.5
61.98825	0.8
70.04443	0.8
71.01381	1.0
71.58213	1.2
75.31950	0.7
75.97261	0.7
81.58165	0.7
97.06572	0.9
97.23386	0.7
103.01572	0.7
121.10165	0.8
122.03714	1.0
125.55298	0.7
126.03235	1.2
140.55486	0.7
143.46399	0.7
144.05725	0.8
167.14381	2.2
171.10347	1.3
186.06656	1.0
192.26422	0.7
193.15764	1.0
201.79614	0.8
207.35201	0.7
214.06412	0.8
223.20662	2.4
249.18594	5.5
251.11400	1.7
267.19617	100.0
268.19980	10.3
275.16455	6.8
276.16559	0.8
293.14117	0.9
293.15131	0.7
293.17551	35.5
293.20511	2.6
294.17831	3.8
311.18600	46.6
311.22171	11.8
312.18979	3.7
312.22467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59832	0.7
59.01368	1.7
63.48800	0.8
66.27088	0.7
71.17583	1.2
94.73257	0.7
97.39272	0.8
102.72391	0.7
103.40306	0.8
139.11316	1.6
154.09962	1.6
171.10165	0.9
177.12840	2.9
195.13876	2.2
207.42848	1.0
207.65218	0.8
211.13268	1.1
212.66989	0.8
249.22125	3.0
292.39075	0.8
293.21204	79.6
294.21487	8.8
311.22241	100.0
312.22556	12.7
330.09009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.89358	0.4
60.01714	0.9
71.01364	2.3
72.99330	0.5
73.02954	1.2
79.95747	1.0
83.01386	0.4
85.02944	2.2
87.00885	1.2
93.03452	0.5
98.20646	0.9
101.02408	2.4
113.02429	1.0
121.02924	2.1
137.02457	0.7
141.46477	0.4
145.05026	0.6
161.04573	1.2
173.04587	1.0
196.95869	0.8
249.11447	0.4
269.10312	1.4
307.39313	0.4
311.11078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
58.95707	0.8
59.01376	100.0
60.01746	1.0
63.39083	0.8
64.08729	0.9
69.50035	3.7
69.50461	2.8
71.01383	6.0
71.08526	0.8
73.02942	1.7
78.02913	1.0
83.01388	1.0
85.02956	2.5
91.01424	0.9
93.03450	2.1
96.22322	0.9
101.02428	3.1
102.74109	0.9
113.02416	1.7
128.87579	0.8
137.02448	4.6
161.04559	3.5
169.09256	0.9
269.10254	3.8
272.69702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03462	0.5
59.01376	100.0
60.01714	1.3
67.01888	0.9
70.06867	0.3
71.01375	7.2
72.99300	0.7
73.02940	2.6
83.01389	1.2
85.02944	3.9
87.00872	0.4
93.03452	38.3
94.03806	1.0
98.19843	0.8
99.00870	0.8
101.02441	5.3
111.00854	0.6
111.04520	0.9
113.02431	2.9
125.02394	0.4
134.03732	0.6
137.02432	68.6
138.02727	2.4
139.07620	0.6
155.03496	1.3
159.02980	0.7
161.04529	3.1
173.04532	30.9
174.04883	1.6
175.04993	0.7
193.05086	0.6
260.72119	0.4
269.10233	4.3
278.84363	0.4
311.10953	0.9
311.29544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0979
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
58.87601	4.5
59.01373	81.9
67.63827	4.7
71.01368	41.0
71.63181	8.7
73.02962	28.2
85.02936	5.0
86.20786	4.8
87.00849	5.9
89.02441	52.6
93.03484	7.6
96.96017	8.8
98.95615	6.2
99.00880	100.0
101.02442	12.6
113.02473	29.1
131.03493	11.0
149.04552	39.5
173.04532	9.3
181.06860	5.6
191.05649	29.6
233.06773	6.6
245.68680	5.0
251.11450	5.5
281.04578	9.5
330.64395	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	311.0979
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
59.01378	99.1
71.01375	45.2
71.62904	7.2
73.02951	33.3
85.02940	13.5
89.02435	53.3
89.21031	6.2
96.96022	18.4
99.00872	100.0
101.02398	10.2
101.06068	8.0
109.01714	6.7
113.02429	22.7
131.03485	13.3
137.02344	16.3
137.35826	5.9
149.04532	46.0
161.04501	7.4
173.04539	11.2
180.62283	6.1
181.06964	8.8
191.05556	33.6
251.11270	11.9
281.04553	7.8
311.22366	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	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01379	4.0
60.99305	0.6
67.01884	4.9
69.03451	1.3
69.78368	2.8
71.01376	3.7
72.70391	0.6
78.99199	0.5
81.03446	1.2
83.05001	0.9
85.02962	1.2
87.00878	0.7
93.03449	41.2
94.03755	1.4
105.01906	0.7
109.02954	0.9
111.00851	1.1
111.04499	5.3
113.02389	0.7
115.03923	0.7
137.02432	44.5
138.02779	1.5
155.03482	4.7
171.68279	0.5
173.04527	100.0
174.04866	3.8
191.05576	3.0
225.95187	0.5
311.07755	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	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43878	0.4
57.03436	0.9
59.01367	1.7
59.49119	0.3
60.99286	1.1
63.68126	0.4
65.12211	0.4
66.50053	0.4
66.92292	0.4
67.01888	4.8
69.03448	1.2
70.48222	1.2
71.01368	2.6
81.03454	0.9
81.22095	0.4
83.05015	0.7
85.02950	0.6
93.03450	33.4
93.43828	0.4
94.03792	1.2
98.95271	0.4
101.09457	0.4
109.02972	0.6
111.00869	1.0
111.04499	4.7
137.02431	25.7
138.02734	1.1
155.03490	3.7
173.04533	100.0
174.04886	4.3
174.06241	0.5
191.05486	0.6
311.07614	4.6
333.88049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48462	0.3
52.05326	0.3
59.01372	2.4
65.03937	0.5
69.25450	0.8
69.25861	2.4
69.76707	0.3
69.88510	0.3
71.01384	2.7
71.91811	0.3
72.74009	0.3
73.02954	0.9
73.80842	0.3
74.24890	0.4
83.05056	0.5
85.02933	2.2
87.00868	0.8
89.02413	0.4
93.03448	48.6
94.03764	1.7
95.01395	0.6
96.96013	1.1
101.02419	0.9
104.86487	0.4
111.04490	0.4
113.02435	2.6
134.03761	1.0
135.04475	0.8
137.02429	100.0
138.02780	3.8
149.02481	0.4
149.06055	1.0
155.03551	0.7
173.04518	6.0
206.91568	0.3
222.72414	0.3
231.12701	0.4
251.11476	0.4
280.75830	0.4
311.07736	1.2
311.11041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25494	1.5
69.03458	1.6
69.90409	7.3
75.03334	1.5
111.08154	32.2
127.07588	2.0
137.09697	1.8
155.90630	1.6
169.12355	6.7
171.10292	1.8
172.71495	1.5
197.11812	100.0
198.12132	5.7
199.13408	2.2
209.15440	7.2
211.13441	8.7
223.16953	3.8
225.14964	4.6
227.12772	2.3
245.97922	1.9
251.16449	3.9
263.20178	5.1
265.17972	1.9
273.18573	2.5
291.19629	19.4
309.20676	41.1
310.21240	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.3
67.64197	1.0
68.47034	1.1
70.46719	4.3
97.06639	1.5
109.06568	2.2
111.08148	26.8
127.07594	2.9
151.11298	1.6
169.12355	6.2
171.10265	5.1
183.13902	2.0
192.00452	1.5
197.11803	100.0
198.12189	6.8
199.13356	3.8
211.13356	10.7
227.12837	3.2
263.20151	7.3
265.18066	1.9
273.18607	2.8
291.19623	21.5
309.20670	44.5
310.20975	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09713	7.8
57.03448	9.5
69.03478	8.1
69.28014	21.9
69.28416	84.3
71.05013	11.0
74.15173	8.6
90.86241	9.7
96.94335	8.8
105.61188	9.3
109.56198	9.0
119.08676	31.6
121.10238	64.0
125.09727	25.8
147.93280	9.3
151.07741	9.4
171.10257	42.0
185.11798	73.3
197.11755	16.6
211.13463	14.8
224.64561	10.0
230.40273	10.2
273.18726	9.7
275.20029	16.0
291.19641	100.0
292.20111	14.1
309.20587	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	309.2069
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03430	6.5
59.01355	6.9
60.29488	2.4
66.29491	2.2
70.90763	5.9
71.01368	3.0
79.95732	8.3
80.02658	5.4
96.96004	86.2
97.06602	3.8
123.08170	21.4
125.09691	19.1
127.11269	8.8
127.42831	2.3
137.09697	13.4
139.11237	7.1
151.11324	3.3
152.08388	3.4
153.09244	2.8
155.10762	46.0
156.11046	2.9
157.12448	3.4
167.10709	3.7
171.10257	90.0
172.10558	3.8
181.12392	2.7
185.11812	88.3
186.12112	7.1
199.30861	2.7
209.11890	3.2
209.15390	4.3
212.10539	5.6
247.20682	4.1
263.20099	8.8
265.21674	4.2
281.21210	13.5
282.56186	2.4
291.19611	33.9
292.19888	4.8
305.40674	2.7
309.17307	100.0
309.20682	48.7
310.17703	8.1
310.20810	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.98431	0.9
57.03454	5.0
58.86751	1.0
59.01368	7.1
63.63908	1.0
69.03432	1.3
70.00502	1.1
71.01380	1.0
71.05017	16.4
71.32886	1.3
71.33225	1.5
83.05009	2.5
95.05009	1.7
97.06583	6.3
107.05000	2.3
112.94145	1.1
119.08660	1.9
121.10212	13.7
123.08153	2.3
125.09702	12.3
131.87924	1.0
135.08116	1.5
137.09698	20.7
141.12781	1.4
171.10248	41.9
172.10652	1.9
176.91443	1.1
181.12250	1.2
183.10202	2.8
185.11816	15.6
197.11824	4.0
207.13829	1.6
207.17572	1.2
209.11755	1.8
211.13335	1.8
219.13857	2.2
221.15517	1.4
235.16983	3.0
237.14909	2.4
239.16389	1.3
247.20630	3.8
251.16493	36.2
252.16811	3.6
273.18533	2.2
291.19635	99.2
292.19989	9.4
309.20685	100.0
310.21051	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59874	0.6
57.03432	0.8
59.01390	0.5
71.39924	1.2
95.74262	0.5
123.08136	1.1
125.09710	5.4
127.11294	1.4
137.09709	0.7
139.11157	0.6
141.09187	1.3
141.12810	0.6
153.09195	2.0
153.12900	0.8
155.10786	0.8
171.10275	3.4
183.13765	0.5
185.11765	0.9
199.09747	4.6
200.10516	5.3
201.11336	3.0
213.11201	0.7
226.11989	0.5
247.20627	6.5
263.20190	0.8
265.21738	1.1
273.18552	1.7
281.21228	1.2
291.19620	11.7
291.22830	0.5
292.19940	1.7
309.20679	100.0
310.21027	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.01370	3.0
60.13215	1.4
67.01885	2.1
69.03461	1.9
70.37209	4.0
71.05025	3.4
76.19062	1.3
80.02668	9.0
80.56947	1.1
81.03448	5.1
83.05018	27.5
84.02161	10.3
84.05344	2.2
95.05013	1.7
97.06573	5.1
99.08150	8.8
109.06585	4.3
111.08212	2.2
113.09736	2.3
115.07633	4.1
123.04490	2.5
123.08155	1.5
125.09708	7.7
127.11301	3.9
135.08113	1.7
137.09715	51.8
138.10008	1.9
139.11250	9.0
151.11258	5.8
153.09210	10.0
154.09895	1.5
155.10767	55.4
167.10675	6.0
169.12296	1.9
171.10249	54.5
172.10558	2.9
175.11282	1.3
177.12775	1.4
193.10646	2.4
193.12311	28.8
194.12711	1.8
195.13831	1.8
209.11766	3.8
209.73341	1.3
211.13414	5.3
221.11952	1.6
247.20572	6.7
263.20151	5.1
265.21671	5.9
273.18402	2.1
281.21161	2.3
284.05731	1.5
291.19635	100.0
292.20001	9.5
309.20673	92.3
310.20981	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	3.1
69.03448	5.3
71.05006	2.0
71.20198	4.4
79.19849	1.9
83.05048	2.0
96.75177	1.8
97.02950	1.8
102.98988	1.9
111.08121	2.2
119.07890	2.8
119.08675	24.3
121.10291	2.4
125.09711	7.0
127.11272	4.0
132.89073	1.9
132.97946	2.0
137.09702	35.1
138.10170	1.8
139.11192	2.9
151.11238	2.7
155.10710	2.9
165.61128	1.9
167.10773	4.4
169.29781	2.2
171.10262	100.0
172.10588	4.3
183.10320	5.9
185.11833	25.4
189.05107	1.9
195.10376	1.9
197.11795	10.2
201.11374	5.6
207.73444	2.0
213.11304	10.0
225.14938	7.0
229.19461	2.8
240.42253	2.5
273.18561	12.7
278.57159	2.1
291.19632	30.4
292.19781	4.3
309.17111	4.8
309.20685	81.8
310.21030	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33024	1.3
60.26004	1.3
69.03437	6.4
70.27171	1.2
71.18012	2.7
81.03936	1.2
83.05014	2.6
85.02935	3.6
85.80710	1.2
97.02947	47.0
97.06571	1.6
111.08137	4.0
113.38435	1.3
119.08633	5.5
125.09684	4.2
137.08727	1.6
137.09715	20.1
151.03961	3.8
151.07626	4.0
152.08398	4.9
171.10263	35.9
175.07954	1.3
177.12822	1.8
185.11716	3.1
195.13872	3.0
197.11755	1.7
201.11180	1.6
209.15437	6.6
211.13409	3.1
213.11296	1.7
221.11815	5.0
239.12846	4.7
247.20583	1.2
252.09914	2.0
254.43373	1.3
269.66074	1.4
273.18536	5.0
291.16571	2.6
291.19647	29.8
291.22867	1.5
292.20297	2.7
301.98315	1.3
309.17065	11.3
309.20648	100.0
310.17862	1.8
310.21033	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05650	1.6
57.03404	1.8
59.01356	3.5
69.03429	7.8
71.00055	2.9
71.01351	1.9
80.70337	1.4
83.05014	2.8
107.08637	1.8
111.08112	3.6
119.08672	17.5
121.10214	2.5
125.09698	8.9
127.11303	4.2
135.08153	2.4
137.09705	34.5
139.11218	1.9
151.11208	2.6
155.10703	4.7
167.10767	3.1
171.10240	100.0
172.10582	2.7
180.16336	1.5
183.10185	7.1
185.11789	25.0
197.11746	5.6
201.11266	6.5
211.13460	2.3
213.11311	9.4
229.19586	2.4
263.20221	2.2
273.18488	12.9
291.16547	2.9
291.19608	36.2
292.20078	3.3
309.17145	2.8
309.20676	47.0
310.21094	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63177	0.8
53.16004	0.8
57.03450	1.9
67.01879	1.7
70.67208	2.0
70.67562	1.0
93.07089	1.1
111.08141	2.9
121.10223	7.7
123.08240	0.9
125.09728	8.4
137.09695	5.3
165.12764	1.1
167.14346	1.5
171.10257	11.8
185.11847	9.4
195.13905	1.4
197.11806	2.8
207.13965	1.1
209.11835	1.0
211.13370	53.1
212.13680	4.6
223.13318	1.1
247.20619	1.2
291.19632	100.0
292.19940	12.2
299.68518	1.0
309.20654	10.5
310.20941	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
70.63805	1.3
72.10021	0.7
88.82968	0.6
97.02945	3.0
115.09682	0.7
122.81922	0.8
123.04522	1.8
123.08105	1.1
137.09627	1.4
151.11292	4.3
163.11163	0.8
168.66260	0.8
171.10220	2.1
177.12819	1.0
195.13835	2.2
196.86215	0.8
203.14433	0.9
221.11830	3.6
221.15292	0.8
239.12730	1.8
240.13812	1.1
247.20650	4.8
273.18478	1.0
291.19638	100.0
292.19952	8.5
309.20688	53.1
310.20969	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01842	1.4
55.31829	1.0
57.03422	1.2
59.01358	4.4
70.85120	2.6
71.05015	18.3
79.87326	1.3
83.05019	2.0
83.42681	1.1
95.05025	1.8
97.02985	1.6
97.06573	5.2
121.10217	4.5
125.09692	4.7
137.09706	18.3
148.76437	1.4
171.10254	54.5
172.10600	2.3
183.13861	2.5
185.11769	6.8
197.11810	1.4
199.91487	1.4
207.13922	2.0
209.11862	1.6
219.13939	1.8
235.16943	2.2
237.14915	3.0
247.20802	2.0
251.16479	17.4
252.16766	1.9
266.18280	1.2
291.19632	61.0
291.94720	1.2
292.19998	6.5
309.20679	100.0
310.21027	10.8
310.41656	1.0
316.84045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01846	1.3
57.03434	4.0
59.01379	10.5
61.63486	1.3
69.03436	1.8
69.30795	8.6
69.31197	2.7
71.05019	31.4
73.33901	1.4
73.85473	1.2
77.52392	1.1
78.16109	1.2
83.05013	1.6
88.64961	1.2
95.05003	3.7
97.02940	1.3
97.06586	9.4
101.64049	1.1
107.04908	1.3
111.08157	4.3
121.06518	1.4
121.10237	7.7
123.08234	1.9
125.09779	6.6
127.11269	2.0
133.91800	1.2
137.09721	29.1
151.11288	2.1
151.99593	1.5
159.81392	1.2
160.86356	1.2
171.10255	82.0
172.10574	5.0
181.12300	2.8
185.11809	12.8
188.63036	1.3
195.13788	1.7
197.11816	14.7
198.12111	1.5
209.11775	1.6
211.13341	2.4
211.70615	1.5
219.13882	4.6
227.12856	4.6
233.15428	4.5
235.17046	3.0
237.14911	6.3
239.16437	2.4
247.20317	2.6
251.16499	29.0
252.16855	1.8
273.18362	3.7
291.19614	94.2
292.19986	9.5
309.20679	100.0
310.20996	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01852	1.0
57.03433	3.2
59.01372	6.5
60.45054	0.7
69.03420	1.0
70.52343	1.4
70.52707	1.8
71.05018	15.0
75.51323	0.7
81.03442	0.8
83.05023	1.1
93.07092	0.8
95.05004	1.4
97.06591	6.2
107.05022	2.4
111.08166	1.5
119.08644	3.6
121.06553	0.9
121.10225	12.1
123.04542	1.1
123.08156	2.4
125.08901	1.1
125.09721	11.1
137.09715	19.2
138.09976	0.9
139.11250	1.1
141.12846	3.0
157.58057	0.8
171.10252	42.2
172.10568	2.5
181.12277	1.2
185.11813	15.3
186.12140	1.1
197.11884	4.0
207.13893	1.9
207.17487	0.9
209.11844	1.9
210.17445	0.8
211.13339	1.8
219.13786	2.4
223.13252	1.1
233.15308	0.9
235.17021	2.1
237.15018	2.2
247.17009	1.6
247.20607	1.6
251.16498	42.0
252.16856	3.4
265.17993	1.1
273.18521	4.4
274.24142	1.0
291.19632	99.7
292.20013	9.1
309.20670	100.0
310.20963	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
58.00579	2.9
59.01374	92.4
60.01724	1.1
67.25387	1.0
69.81734	1.0
71.01381	42.0
71.07134	2.4
72.99306	3.0
73.02921	1.3
80.07940	0.9
83.01385	1.7
83.69695	1.0
85.02947	7.3
87.00880	1.6
89.02435	49.5
95.01381	4.1
96.96010	2.9
99.88824	1.1
101.02434	26.4
113.02452	13.7
119.03490	22.9
131.03508	1.9
143.03525	2.6
147.06607	1.9
179.05569	3.5
180.65414	1.2
211.73444	1.0
228.49138	1.0
309.11887	100.0
310.12170	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	309.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25045	0.4
59.01359	0.6
62.24957	0.4
66.00915	0.4
69.83251	1.9
76.13190	0.4
79.95727	9.3
80.96500	0.7
94.98044	0.6
95.95242	2.6
96.96000	81.7
100.46687	0.4
122.97583	2.9
164.89574	0.4
191.66948	0.5
230.81725	0.4
235.69231	0.5
246.53551	0.4
254.47322	0.5
263.20160	0.5
309.17377	100.0
310.17679	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
59.01373	6.5
60.13871	0.7
67.01884	4.4
69.03481	0.8
71.01380	3.7
71.62926	1.2
80.96506	1.7
81.03430	1.0
83.05015	2.0
85.02950	1.8
91.05527	11.4
93.03451	27.0
94.03797	1.0
96.96010	2.2
107.62428	0.9
111.04521	5.3
118.98083	1.8
119.05152	0.8
127.04013	1.6
135.04512	84.1
136.04854	4.4
137.02469	4.8
151.07651	1.8
155.03490	5.7
173.04529	100.0
174.04892	3.4
191.05627	3.0
209.11719	0.8
251.20901	0.9
309.09796	8.0
309.13574	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	309.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36646	0.2
57.03438	0.9
59.01384	1.8
60.99297	0.8
61.16458	0.3
63.12939	0.3
63.71235	0.3
65.50771	0.2
67.01882	4.8
69.03456	1.1
69.33224	2.4
71.01372	2.9
71.18619	0.3
72.99287	0.3
81.03458	1.0
83.05018	0.9
85.02946	0.5
86.54536	0.2
87.00850	0.4
91.05538	2.5
91.80155	0.2
93.03454	25.5
94.03790	0.8
96.96015	0.6
109.02943	0.9
111.00896	0.7
111.04512	4.6
118.98029	0.3
127.03946	0.4
135.04518	21.1
136.04857	1.1
137.02448	3.8
142.26421	0.2
155.03479	4.8
173.04532	100.0
174.04890	3.4
262.06314	0.3
263.07132	0.8
279.06650	0.7
279.11920	0.3
281.08307	0.7
294.08920	0.3
309.07495	2.0
309.10541	2.8
310.07751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01865	1.4
57.03426	1.1
58.00583	2.4
58.17543	0.6
59.01375	62.2
60.01699	0.9
70.42025	1.3
70.42385	1.2
71.01377	32.6
72.99299	4.4
73.02943	4.4
78.95891	0.8
83.01386	2.8
83.05026	0.8
85.02947	7.1
87.00870	2.3
89.02440	32.9
89.78946	0.6
95.01381	2.1
96.96032	0.7
99.00861	2.3
101.02440	26.3
101.06052	1.1
111.04500	1.0
112.98787	3.2
113.02453	14.2
115.00336	0.9
117.01928	5.7
117.70378	0.7
119.03500	14.2
129.01892	1.4
129.05569	12.8
130.08719	2.7
131.03456	0.7
142.99857	2.2
143.03461	1.3
144.73387	0.6
147.06604	3.8
148.06230	1.3
149.04636	0.7
161.04561	1.8
173.00891	2.1
179.05592	1.8
190.94286	0.7
218.24242	0.7
296.82861	0.6
309.11877	100.0
309.63507	0.6
310.12222	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.52490	1.0
55.84355	1.0
57.69534	1.0
58.49873	1.1
59.01376	9.7
69.47836	8.5
71.01381	4.7
103.03994	1.5
135.04489	2.0
162.75208	1.1
173.61267	1.0
177.12825	1.3
177.16373	1.6
179.03456	2.7
179.14351	2.0
205.15959	1.5
223.13431	2.5
231.21078	5.2
247.08147	2.0
275.20120	100.0
276.20459	12.0
289.17883	1.7
291.08978	2.2
307.19223	3.0
307.22736	42.1
307.26016	1.5
308.23004	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	307.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.1
59.30799	2.4
71.01376	7.5
71.10480	5.4
103.04025	4.3
103.77655	2.4
135.04485	5.3
179.03482	5.7
179.14421	4.2
185.16006	2.9
223.13300	12.7
231.21057	6.1
275.20135	100.0
276.20349	7.3
289.18069	3.7
291.09113	5.0
307.19241	6.1
307.22702	55.7
307.26041	4.5
308.23187	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	309.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07891	0.9
59.01375	7.9
61.22255	1.0
71.01370	1.9
71.62885	1.3
83.05019	2.1
85.02940	4.3
87.00880	1.9
91.05525	60.2
92.05858	2.4
93.03448	6.7
96.96021	2.0
98.95572	4.6
100.95455	1.5
100.96040	2.5
101.02441	1.4
111.04488	4.6
112.98807	1.6
120.99633	4.3
122.99247	6.3
123.00030	1.7
127.03939	1.5
129.01962	2.5
130.08708	1.4
135.04514	100.0
136.04849	3.7
150.04231	1.3
155.03479	6.5
160.41141	1.0
173.04530	14.2
174.01657	12.8
191.05585	32.0
192.06017	1.9
237.28651	1.1
269.82819	1.2
271.08163	2.7
309.09860	12.4
309.20197	1.2
310.10034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.45793	0.9
50.82043	1.1
56.73180	1.1
57.03429	3.3
59.01366	3.7
67.75134	1.0
70.63355	3.0
73.02962	2.0
73.80532	0.9
85.25888	0.9
95.05013	1.4
97.06554	4.6
106.04248	1.0
107.08664	21.9
111.85674	0.8
119.08641	4.8
123.08200	4.5
125.06052	2.6
125.09718	12.2
135.08127	2.5
137.09711	8.6
139.11281	1.1
141.09158	1.3
147.42769	0.9
149.09639	1.0
151.07587	1.2
151.11249	1.4
153.09235	1.6
153.12862	1.4
155.14436	0.9
164.08441	1.0
167.10835	1.1
171.10225	6.0
179.26192	1.1
181.12340	2.3
183.10320	1.5
183.13841	1.3
185.11719	2.5
187.77138	0.8
191.14406	2.8
199.09729	23.4
200.10506	8.2
200.12289	1.3
201.11264	2.0
209.11768	1.6
209.15344	2.5
213.11278	5.4
243.17639	1.1
245.19077	22.2
246.19403	1.2
263.20160	6.7
264.20334	1.2
271.17026	1.9
279.19592	2.2
289.18057	39.0
290.18423	3.8
307.19104	100.0
308.19406	11.5
328.46991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01368	1.4
59.05466	0.5
66.39351	0.6
70.76447	1.4
71.01373	0.6
114.25731	0.5
128.01482	0.5
179.03493	0.7
255.34354	0.5
300.30084	0.5
307.22751	100.0
308.23093	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	307.1912
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03443	12.9
59.01367	15.1
62.75949	2.9
69.28133	7.0
69.28547	24.4
71.01385	19.2
80.22556	3.2
83.04985	5.1
95.05035	4.7
97.06597	18.5
99.29592	3.3
109.02940	4.2
109.06574	6.9
111.08140	13.9
112.62209	3.2
117.29043	3.1
123.04475	5.3
125.09716	8.3
127.11278	4.0
137.06049	3.8
137.09665	7.4
149.09715	5.1
151.11293	22.7
153.12790	5.7
155.10707	15.4
161.09608	3.9
163.11270	6.8
165.12811	27.3
167.10745	7.5
169.12271	4.1
177.12822	4.3
179.10785	9.6
181.12338	45.6
191.10779	20.3
191.14417	8.2
205.12303	6.1
209.11835	82.6
210.12115	4.7
211.13374	10.2
217.81723	3.1
224.10536	4.8
232.02800	3.2
245.19116	37.7
261.18411	4.1
263.20139	10.3
271.17047	4.0
279.19522	6.9
284.30945	3.5
286.26553	3.6
289.18082	48.7
290.18561	3.9
307.19122	100.0
308.19400	8.1
324.18747	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01373	4.8
69.32336	20.8
81.03449	5.8
83.01383	9.5
83.05029	4.2
97.02973	5.1
97.06584	14.7
98.20657	5.8
109.06580	2.9
110.03760	3.3
123.04513	8.5
123.08142	3.4
125.09706	21.7
131.19565	2.2
137.09714	11.7
145.36330	2.5
163.07727	3.9
163.11240	19.0
165.12859	4.9
167.10725	3.2
171.10263	3.6
181.12318	6.7
185.11794	23.5
191.10638	3.1
191.14420	19.9
207.10271	12.5
209.11804	59.0
225.11314	10.2
238.93550	2.6
245.19041	44.9
263.20212	3.5
265.98175	2.4
268.50406	2.2
271.17035	5.4
289.18079	100.0
290.18393	9.1
307.19119	55.8
308.19537	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	18.3
59.01363	14.9
65.25713	5.0
69.03436	7.9
69.66673	17.2
69.67103	11.1
71.01356	8.2
83.05042	6.0
93.07091	5.8
97.06593	24.6
106.04194	5.2
107.08657	5.0
111.08140	19.8
121.06581	31.9
123.04490	6.2
123.08192	4.8
125.09695	29.4
135.08156	23.6
137.09766	7.3
151.11224	26.6
153.09190	26.4
155.10771	12.4
163.11281	8.0
165.12823	28.2
167.10780	11.8
169.12247	6.0
171.10240	80.0
179.10728	12.1
181.12297	37.9
185.11792	100.0
186.12111	6.9
191.10782	21.6
191.14392	9.0
197.11752	5.0
209.11803	83.4
211.13393	11.4
212.10466	15.6
213.10938	5.2
245.19040	34.8
250.04521	5.1
261.18588	13.5
263.20142	17.9
279.19629	21.3
289.18085	51.2
290.18185	5.9
301.19708	6.1
307.19101	90.3
308.19315	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79577	0.4
57.03440	0.5
59.01370	2.4
68.20100	0.4
69.03438	1.1
69.25706	0.9
69.26109	3.0
71.05016	4.9
80.02667	1.0
81.03461	2.5
83.05021	1.9
92.48233	0.5
95.05009	1.2
97.06572	0.8
98.03717	1.7
100.61638	0.4
106.04233	0.7
107.05001	0.7
109.05865	0.8
109.06583	13.6
110.03724	0.6
110.06921	0.9
111.04504	6.3
111.08153	1.1
117.84758	0.4
123.08118	1.6
127.07632	3.0
133.10265	0.7
135.08128	0.5
137.09702	1.1
141.09181	0.4
143.10754	1.9
145.06572	1.6
149.06073	0.7
149.09671	1.0
151.11258	1.0
165.58961	0.4
167.10735	2.3
177.09105	0.5
179.10797	1.4
181.12355	0.5
191.14401	0.8
195.13899	4.0
207.17572	0.6
233.15450	0.6
235.13403	1.3
237.92831	0.4
245.19101	4.5
249.14952	0.6
251.16602	0.9
271.16965	1.3
287.16635	2.3
289.18060	100.0
290.18393	11.2
307.19073	9.9
308.19333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34431	2.9
59.01371	7.5
65.03958	54.4
69.43964	3.1
71.05019	36.3
83.04998	9.8
93.03442	13.8
97.06587	80.8
117.07080	12.5
119.08633	28.3
121.06590	100.0
122.06882	5.4
123.08134	8.1
125.09705	52.2
133.06587	3.9
135.08163	55.5
136.08415	3.7
137.09798	3.8
163.11266	4.0
171.06412	3.9
171.10260	53.7
185.11807	85.6
206.29601	2.9
209.11809	39.3
210.12140	4.2
211.13359	41.4
227.66852	3.0
233.15446	7.5
235.13359	88.5
236.13710	5.5
245.19064	4.3
249.14806	6.5
279.19449	4.3
289.18073	81.8
290.18405	5.9
307.15576	4.4
307.19077	50.2
308.19540	5.9
320.53772	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
57.03449	3.1
61.98838	1.2
63.05995	1.2
65.03958	54.9
66.04291	1.9
69.67440	3.2
69.67860	4.2
71.05012	35.8
83.05048	3.5
97.06581	66.5
98.06934	2.0
98.19843	1.7
109.06595	1.6
119.08652	12.3
121.06583	95.6
122.06942	4.3
123.08135	3.1
125.09711	46.4
126.10046	1.3
137.09747	3.1
141.12872	2.2
160.82848	1.6
163.11302	1.7
185.11812	87.8
186.12097	4.2
209.11787	35.7
210.12077	2.8
211.13387	31.9
212.13745	2.3
224.88843	1.4
235.13354	100.0
236.13707	6.0
251.16667	1.5
289.18079	24.1
307.19122	29.5
308.19473	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	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74732	1.0
58.00583	2.0
59.01376	100.0
60.01709	1.6
62.63704	1.0
65.22114	1.0
66.00455	1.0
71.01381	20.2
71.62457	1.8
72.99298	1.8
73.02945	2.9
73.78696	1.0
83.01382	2.1
85.02953	7.1
89.02439	16.6
95.01382	1.2
96.95990	8.0
98.95596	9.9
98.96410	1.7
99.08157	16.2
101.02440	15.9
101.06081	0.9
103.04005	2.1
113.02461	6.1
119.03477	6.1
119.04210	1.1
120.99661	8.1
127.07654	2.7
129.09241	1.1
133.02986	1.0
135.04530	12.5
145.08696	43.7
147.62245	1.1
161.02425	2.8
161.04587	2.5
165.84653	1.2
179.03462	12.6
179.05649	1.6
187.09731	1.1
187.51042	1.2
207.10242	1.2
219.10622	1.2
289.11703	2.0
307.08295	4.6
307.14008	81.8
308.14392	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	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21157	0.8
59.01376	100.0
60.01720	1.1
71.01379	12.6
71.61892	1.2
73.02932	4.0
83.01392	2.2
85.02940	7.8
87.00875	0.7
89.02446	5.3
95.01413	0.7
96.95993	3.8
99.00901	1.0
101.02436	9.3
113.02444	5.4
119.03502	1.7
120.99648	33.6
126.05620	0.8
127.07616	0.8
128.75351	0.6
133.02910	3.6
134.03769	1.1
135.04520	33.7
136.04848	1.9
143.03502	0.8
145.08707	1.5
149.57967	0.7
159.02968	0.8
161.02437	12.4
161.04485	6.1
165.01123	2.4
177.05644	0.7
179.03479	38.3
180.03531	7.9
203.03630	0.7
237.10904	0.7
263.03470	0.9
263.07294	2.9
265.12860	13.4
265.15411	0.7
280.48920	0.6
289.07159	1.2
307.08398	10.3
307.14087	9.1
308.08551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03433	1.0
58.00582	1.5
59.01375	71.8
69.71032	3.5
69.71433	1.5
71.01377	28.5
72.01726	0.8
72.99304	1.8
73.02945	2.8
82.65289	0.8
83.01376	2.1
85.02944	9.2
87.00884	1.2
87.03976	0.6
89.02436	22.5
91.26145	0.7
95.01370	1.9
95.38462	0.6
96.96018	5.2
99.00896	1.1
99.08164	4.8
101.02434	19.0
101.03077	1.2
113.02441	9.4
119.03504	8.5
119.04997	0.9
120.99642	12.6
127.07656	9.6
128.07933	0.8
132.86594	0.7
133.02943	2.1
135.04518	14.7
136.04840	0.8
145.08687	9.4
159.03030	0.7
161.02454	7.3
161.04550	2.9
179.03471	12.7
180.03654	1.3
241.60928	0.8
265.12912	5.4
289.12863	0.8
307.08188	4.5
307.13971	100.0
308.08249	0.9
308.14291	7.3
326.04340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
70.48309	1.5
71.01364	0.9
73.99157	0.4
74.99062	6.6
75.96239	0.5
87.56415	0.5
91.02194	2.4
93.00140	1.3
103.04003	0.6
140.60254	0.4
149.00926	2.3
159.08444	7.6
161.06401	1.2
163.26410	0.4
165.89072	0.4
179.03555	0.6
187.55188	0.5
206.99629	0.9
209.01241	2.2
217.07368	0.8
223.02815	49.1
224.02827	4.6
265.18573	0.5
287.44257	0.5
289.07574	1.7
291.09082	100.0
292.05829	0.7
292.09198	14.3
307.12149	3.5
307.19003	1.0
309.10187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29948	0.3
59.01375	1.7
61.20078	0.3
61.98831	0.8
69.77672	1.8
71.01365	0.9
73.35682	0.4
79.95741	1.5
96.96004	100.0
119.08655	1.1
125.09708	0.4
125.22459	0.3
133.02951	0.5
134.03406	0.3
135.04535	1.7
137.02473	0.4
161.02452	0.4
171.10269	0.4
173.04489	0.4
179.03378	1.2
229.16010	0.6
247.08101	0.3
289.18088	0.8
307.12173	72.0
307.19040	2.0
308.12491	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	307.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60501	0.6
53.12244	0.6
56.98017	0.6
58.69484	0.5
59.01363	1.6
60.97529	1.7
61.98828	1.3
69.89779	1.2
69.90182	1.9
71.01384	0.8
71.68666	0.7
73.98317	2.8
74.99089	100.0
75.99419	0.7
87.00874	0.9
96.96011	0.8
120.99681	1.2
133.48187	0.5
136.99133	69.2
137.99471	1.2
161.02393	0.9
173.04558	1.9
177.90611	0.6
184.40559	0.5
185.11839	2.2
187.07672	0.7
219.10573	2.9
263.12808	0.6
293.24396	0.5
307.12210	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67726	0.3
57.74738	0.3
63.41972	0.3
71.01369	0.3
71.63051	0.3
74.99065	6.7
84.83553	0.3
91.02205	3.1
93.00108	1.6
106.69769	0.3
134.12636	0.3
149.00925	2.1
159.08447	6.6
160.01591	0.3
160.08681	0.4
160.14763	0.3
161.06360	1.6
192.51906	0.3
192.98125	0.7
206.99704	1.1
209.01205	2.9
217.07236	0.6
223.02809	52.2
224.02867	5.7
241.03801	0.4
275.05698	0.4
289.07617	1.6
289.18054	0.3
291.09070	100.0
292.09198	13.8
305.58286	0.3
307.12201	4.1
307.19077	1.2
308.12183	0.6
309.10254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0855
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
50.24044	0.5
55.66598	0.5
58.22300	0.5
59.01374	34.0
70.94908	0.8
79.95735	1.1
85.02947	0.7
94.02216	0.5
96.19824	0.5
96.96005	100.0
123.08140	0.6
133.02910	1.4
135.04523	8.6
143.81503	0.6
161.02422	2.3
167.10779	2.2
174.01683	0.8
179.03496	7.4
182.67053	0.6
214.95702	0.6
227.12874	22.1
228.13155	1.6
254.11884	0.5
259.10889	0.7
263.02377	0.6
276.23907	0.6
284.14331	0.7
307.08530	86.0
308.08841	7.2
315.19211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	58.1
61.98820	17.0
71.01379	47.6
71.63123	5.4
73.02934	9.3
81.29668	4.4
83.01365	5.2
85.02921	15.8
87.00872	9.2
93.03439	27.5
96.95998	8.2
99.00859	5.1
101.02451	24.5
106.36103	4.1
113.02412	14.2
116.64765	4.8
133.06924	100.0
134.68083	5.2
135.02715	15.1
135.04488	9.9
159.02997	7.8
159.04416	6.1
161.04541	17.1
172.05258	9.9
173.04585	54.6
173.05988	12.0
179.01653	8.8
179.03374	5.0
187.04053	8.9
187.07637	43.8
191.05600	5.8
201.05539	12.2
202.06300	25.2
203.07538	5.1
213.09161	8.0
221.08504	17.6
231.10149	11.8
257.01581	4.7
263.09888	7.6
263.12787	33.6
296.75031	5.1
307.12094	39.3
307.17615	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	305.1755
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.77767	2.8
59.01369	24.0
69.29446	26.4
71.05007	12.5
73.02940	4.8
77.05821	3.0
86.64513	3.4
95.05012	4.9
97.06571	8.7
99.04510	81.9
109.06561	4.6
113.06099	2.8
123.08150	22.9
125.06030	6.6
135.08136	12.4
136.05275	3.8
141.01691	4.9
149.09689	8.1
175.11177	3.1
185.11845	3.0
189.12938	4.0
193.12323	6.9
205.12355	3.2
219.13817	7.1
243.17508	36.9
249.14941	3.8
262.25320	2.8
269.15408	8.1
287.16504	73.4
288.16867	8.5
305.17535	100.0
306.17892	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	306.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
60.96008	0.4
61.98825	100.0
62.98533	0.6
63.99259	1.1
71.01379	0.9
71.21356	0.7
88.42933	0.3
103.04044	0.4
121.02948	0.9
134.97049	0.8
136.93993	0.5
136.96709	2.0
159.86046	0.4
161.98946	2.1
162.96515	0.7
162.98900	1.2
163.98621	3.0
164.96368	53.8
165.01933	0.8
165.25595	0.3
165.94016	0.5
165.96521	3.6
178.97778	0.7
205.00153	0.4
206.97427	21.7
207.97510	1.6
244.31656	0.4
306.97382	17.8
307.00143	2.0
307.97412	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	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.13118	1.0
54.87807	1.1
57.03423	1.7
59.01372	7.2
67.53503	1.1
71.01374	1.2
71.05017	30.3
71.29491	2.0
80.02694	1.9
81.03458	4.4
83.05024	1.5
93.03458	3.0
95.05023	14.6
97.06597	2.1
106.04253	4.3
107.05042	2.7
109.06573	11.5
111.04492	1.4
117.07112	1.6
120.05785	2.1
121.06570	4.3
122.03726	1.2
122.47843	1.2
123.04468	1.7
123.08121	3.3
125.09710	10.8
127.07637	2.1
128.80171	1.1
132.05888	1.2
135.08154	25.3
136.08507	1.3
141.01691	2.6
147.04491	1.5
147.08153	2.7
147.11598	1.1
149.09705	1.1
150.06883	1.4
153.09126	1.3
161.06038	2.5
164.08456	2.0
165.09251	7.4
167.10822	1.2
175.11400	1.5
185.11893	2.7
187.15508	1.3
189.12846	12.7
205.15942	8.8
231.13934	3.1
233.11870	5.9
243.17487	9.8
249.14931	12.5
261.18436	1.6
263.16788	1.3
269.15375	2.2
270.16467	1.2
287.16504	63.8
288.16736	8.8
298.02905	1.3
305.17557	100.0
306.17816	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	305.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01384	8.2
69.03474	1.2
70.52508	1.5
70.52851	2.8
71.05015	44.9
72.05362	1.6
73.02966	1.2
81.03451	4.2
83.05025	2.8
93.03439	3.2
95.05022	17.5
97.06573	1.4
97.80727	0.9
106.04216	1.8
107.05014	2.9
109.02924	1.8
109.06593	17.4
111.04491	2.1
119.05038	2.0
121.06592	7.0
122.03661	1.4
123.08160	1.4
125.09647	1.2
127.07630	3.2
132.05795	1.5
135.08110	2.6
139.07629	1.2
139.94997	0.9
141.01561	1.2
147.04492	1.6
147.08121	3.7
149.06071	1.2
149.09750	1.4
150.06866	2.7
161.06107	2.7
161.09712	2.1
165.09190	10.8
189.12823	15.9
190.13158	1.9
205.15956	11.5
231.13847	3.5
233.11848	10.0
243.17537	11.5
245.15567	1.9
249.14912	12.0
250.15245	1.7
261.18625	2.7
269.15485	3.2
287.16498	83.6
288.16861	9.5
289.14313	1.5
305.17551	100.0
306.17987	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	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01870	1.3
57.03432	2.3
59.01377	5.3
65.03971	3.4
69.03459	0.8
71.05019	7.3
71.29855	1.3
76.97863	0.6
79.05527	12.4
80.02679	1.1
83.05026	0.8
87.67992	0.7
91.05523	1.1
93.03475	1.5
95.05023	3.0
97.06586	14.8
106.04239	9.7
107.05017	2.6
107.08678	1.1
109.06593	2.4
117.07088	3.6
119.05013	2.6
120.05829	4.9
121.06630	4.3
123.08139	5.6
125.09717	18.0
125.10587	1.2
126.09985	1.0
133.06583	1.0
135.08154	100.0
136.08458	5.0
137.09700	2.0
141.01698	1.0
151.11261	2.5
159.08202	1.0
161.06114	0.8
161.09673	0.7
162.06807	0.7
162.10500	0.6
163.11278	1.9
171.10229	0.7
176.08383	0.7
177.12802	1.1
185.11821	2.3
189.12843	1.7
197.11975	0.7
205.15892	6.5
207.10291	1.6
209.11826	1.9
221.11848	1.0
231.13914	1.3
233.11847	0.9
243.17473	1.4
247.13414	1.3
249.14931	46.2
250.15244	3.7
261.14978	1.2
263.16534	2.0
269.15457	1.4
277.18045	0.9
287.16498	12.9
288.16901	1.5
292.57465	0.6
305.17551	80.1
306.17911	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	305.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03449	1.4
58.00588	4.5
59.01376	100.0
65.52937	0.9
70.62212	1.4
70.62582	3.4
71.01378	53.5
71.58996	0.9
72.99313	3.2
73.02953	4.1
73.78617	1.0
81.07089	18.6
83.01392	3.7
83.05022	1.9
85.02940	12.0
87.00889	1.9
89.02437	62.8
95.01404	3.9
96.96014	17.1
98.20509	1.2
101.02440	28.9
102.02808	1.1
113.02447	21.1
119.03496	27.2
120.03863	1.0
125.06072	6.2
131.03532	2.2
133.03017	1.0
143.03537	2.7
143.07121	1.5
149.56932	1.2
161.04565	3.7
173.04562	3.2
179.05623	4.6
264.44415	1.0
305.07007	1.8
305.12476	52.5
305.15674	2.3
306.12756	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73473	0.5
55.01886	0.7
57.15405	0.5
59.01375	100.0
60.01720	1.1
69.46691	2.6
69.47121	1.2
71.01374	4.8
73.02941	2.1
76.80284	0.4
80.96522	2.1
83.01380	1.0
85.02947	3.7
93.80450	0.5
98.20595	1.0
99.00893	1.3
101.02435	5.2
113.02472	1.9
133.02969	1.0
161.02477	1.3
161.04587	2.0
173.04549	0.7
173.53931	0.5
176.08327	0.5
179.03488	0.6
201.01976	1.0
263.14996	6.0
273.07736	2.0
305.08966	1.4
305.17563	0.8
306.07413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43505	0.3
59.01377	9.8
61.98830	0.2
71.01378	0.3
71.39342	0.4
74.58559	0.2
79.72742	0.3
79.95743	1.5
89.02444	0.3
96.96005	100.0
97.95980	0.3
101.02425	0.3
107.37325	0.3
133.02959	0.5
138.48357	0.3
147.08121	0.5
225.11316	5.9
226.11580	0.5
261.08051	0.5
291.69223	0.2
305.07007	21.5
305.10651	41.1
306.07260	1.5
306.10977	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	305.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92366	0.3
51.10586	0.2
59.01374	1.2
69.64693	0.4
69.65110	1.1
79.95734	1.0
96.96002	100.0
97.95932	0.4
98.20599	0.4
123.83739	0.3
128.18347	0.2
149.71698	0.3
225.11343	0.7
305.07077	3.5
305.10574	49.5
306.07544	0.5
306.10925	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	305.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98803	0.4
62.00314	0.2
69.58555	1.1
69.58968	0.4
73.01152	0.4
79.95730	1.7
87.05640	1.6
96.96002	100.0
97.04044	1.0
97.95934	0.4
101.02427	0.3
113.03584	0.7
121.10217	0.9
123.59879	0.3
140.04642	0.3
155.08968	0.3
158.05753	0.5
169.12228	0.2
173.09975	0.2
217.09039	0.8
219.21356	0.2
223.02921	0.3
229.09773	0.6
229.14870	0.3
244.10913	1.3
245.04793	0.7
262.11945	0.8
305.10599	81.2
306.10913	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	304.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	40.6
59.01340	0.4
59.03307	0.4
70.14748	1.0
75.64275	0.3
82.57183	0.3
105.14988	0.3
109.72817	0.3
124.24406	0.3
168.13919	100.0
169.14282	5.6
178.37476	0.3
212.12921	1.8
224.68694	0.3
229.78040	0.3
237.74768	0.3
260.66739	0.3
304.19312	1.5
305.17572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.4
60.46284	0.3
60.96519	0.3
69.53175	0.5
69.53590	1.9
79.95731	1.5
90.10477	0.3
96.96005	100.0
135.08131	0.4
147.08133	0.8
147.18828	0.3
152.62242	0.3
189.60022	0.3
190.05289	0.4
225.11298	9.4
226.11626	0.8
305.07010	35.2
305.10654	32.2
306.07358	2.8
306.10953	2.8
314.73492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60955	0.4
59.01374	2.5
66.01102	0.5
69.33488	3.9
72.58693	0.4
75.28477	0.4
77.89476	0.4
89.59418	0.4
93.03456	1.1
93.07090	0.7
94.00608	0.8
95.05064	0.6
95.52023	0.5
96.96024	0.6
105.03445	0.6
109.02952	0.8
111.04549	0.5
116.04158	0.4
116.81858	0.4
121.02967	0.8
122.03706	0.5
132.02283	0.5
133.02945	4.9
134.03712	1.4
135.04523	3.2
135.27719	0.4
137.02417	1.4
139.04039	0.7
149.02496	0.6
149.99568	3.1
160.01654	0.6
161.02435	3.8
163.04066	0.5
165.02037	0.4
173.04485	0.6
177.01906	1.4
177.99075	11.2
178.02675	2.8
179.03453	1.9
193.01418	2.0
205.98550	91.6
206.98932	4.3
221.00890	100.0
222.01260	5.8
235.02164	0.6
236.03236	32.4
237.03610	2.3
249.14810	0.6
259.06033	1.8
276.52817	0.5
287.16385	1.3
289.07065	0.7
290.07803	0.9
305.10388	3.6
305.13477	0.6
305.13989	0.6
305.17514	4.0
306.07355	1.7
306.10651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01708	1.2
68.94954	0.6
69.03445	0.7
69.98116	2.1
69.98539	0.9
70.04816	0.5
71.01375	13.4
72.99333	0.5
73.02943	12.3
74.83966	0.6
75.00899	0.9
76.84876	0.6
83.01391	2.5
85.02982	2.0
87.00853	0.7
89.02436	5.2
96.96004	18.7
101.02433	10.1
113.02428	3.8
119.03491	1.9
123.56552	0.6
131.03537	0.9
161.04544	0.9
185.11812	1.0
223.13281	1.0
228.02043	0.6
303.08975	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	303.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95824	0.5
52.98697	0.5
55.01870	0.9
57.52917	0.5
59.01375	100.0
60.01719	1.1
62.25206	0.6
71.01374	6.1
73.02940	1.4
75.00856	0.6
83.01387	1.1
85.02955	2.4
89.02436	1.5
94.78240	0.6
96.95995	3.6
99.00911	0.8
101.02441	4.4
113.02449	1.5
119.03505	0.8
120.15319	0.6
149.35153	0.7
161.04597	1.4
235.10960	0.7
235.56474	0.7
261.13422	4.6
267.37158	0.6
273.81436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1446
Annotation	Creoside I
Peak:m/z	Relative Intensity
55.76859	0.9
57.03448	3.7
59.01374	81.3
60.01678	0.7
60.16855	0.7
69.03458	0.8
71.01380	3.1
71.61804	0.7
71.62704	0.9
73.02911	1.0
79.95717	1.6
80.96516	2.7
83.05021	5.0
85.02930	0.9
87.00874	2.3
93.03484	0.8
95.05034	1.4
96.96008	11.7
97.02965	1.3
97.06606	4.4
99.04510	12.8
107.05005	1.6
110.03729	1.8
111.08147	0.9
118.11520	0.8
120.99633	1.8
121.02856	0.7
123.08139	5.1
125.06068	20.6
133.70233	0.8
137.09761	0.7
141.09227	2.2
151.00438	0.7
163.11276	3.4
165.09196	3.4
167.07103	4.9
173.06384	1.2
181.12314	2.2
185.08171	22.0
186.08537	0.9
207.10237	2.3
223.13371	3.7
225.11284	14.7
231.04012	1.6
232.16058	0.8
241.14487	2.8
243.12337	20.8
244.12688	2.2
259.14969	0.8
267.12268	1.0
271.02490	1.8
285.13400	14.3
286.13623	1.1
300.02591	3.7
303.06348	2.3
303.08908	5.2
303.14453	100.0
304.06845	7.5
304.14777	6.8
319.73294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
58.00592	4.7
59.01375	100.0
60.93888	1.7
68.99805	2.8
69.98368	8.2
71.01376	27.8
72.99301	39.2
73.02941	4.2
73.72305	1.9
74.05392	1.7
74.99116	2.1
75.00861	15.3
79.05520	2.4
81.04547	2.1
85.02946	3.3
89.02438	53.5
93.03448	3.5
95.05014	3.3
96.96010	35.6
97.06586	19.8
99.00861	13.5
105.07089	2.4
105.78585	2.2
107.05016	7.0
108.02163	2.2
109.06585	6.3
111.08135	15.2
112.76500	1.9
112.98798	12.7
114.83401	1.8
115.00414	2.4
117.01173	2.8
117.01927	28.1
120.05786	3.7
121.02991	3.0
121.06592	13.4
123.04472	2.9
123.08128	6.0
124.01641	6.7
124.98818	5.8
125.06065	10.5
134.03717	2.2
134.38065	1.9
135.02992	15.7
135.04466	4.5
135.08157	3.3
136.99020	2.3
137.02409	3.8
137.06065	4.7
139.07628	15.1
139.11264	2.5
142.99847	83.0
144.00195	2.9
149.06070	19.7
151.07745	2.2
153.05566	17.1
159.04520	3.4
162.01973	2.4
163.71997	2.0
165.05542	2.4
166.06346	6.1
167.07129	27.7
173.00888	16.7
174.01669	18.9
179.07121	2.9
181.08670	12.9
183.06587	2.8
185.11783	15.2
191.03531	2.6
193.05011	6.9
209.08203	3.8
211.06149	3.8
213.07613	4.1
213.11348	9.5
225.07671	38.7
234.78632	1.8
259.02521	1.9
303.09094	6.0
303.14441	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	303.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
66.14082	1.4
70.54237	3.7
71.01373	4.1
73.02924	1.5
78.95899	89.2
79.87991	1.1
85.02954	3.6
87.00867	11.8
87.92531	3.2
95.34505	1.1
96.95969	2.6
96.96957	100.0
99.00900	1.3
103.92012	3.3
109.02959	10.1
110.89877	1.5
110.98521	32.7
111.00846	1.5
112.98820	1.8
115.00352	1.9
119.05020	14.6
119.20872	1.1
129.05562	3.3
135.04504	4.9
142.99855	17.6
145.96631	1.4
153.01926	3.0
161.96196	3.2
173.00888	11.9
173.04514	3.6
175.02426	2.4
179.03510	8.1
191.05569	6.5
199.00670	7.2
199.94075	3.5
205.03624	1.8
215.00206	2.6
223.02446	4.9
260.68915	1.2
303.01813	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	303.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
70.64516	0.2
70.93783	0.4
79.95721	1.5
90.95937	0.2
92.49587	0.2
96.96003	100.0
97.95939	0.6
108.41036	0.2
243.12271	0.2
303.09036	42.2
304.09396	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	303.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93464	0.2
56.86966	0.2
59.01375	6.2
59.26612	0.2
61.41892	0.2
61.85668	0.2
63.11170	0.2
63.90315	0.2
69.39628	0.2
71.32162	0.4
76.33499	0.2
77.28492	0.2
79.95743	0.9
85.02922	0.2
96.96001	100.0
97.95953	0.3
100.10612	0.2
101.02424	0.5
115.45956	0.2
118.14637	0.3
120.99639	0.5
127.49196	0.2
261.13425	0.5
303.09036	32.9
304.09390	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	303.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.65264	0.2
63.63567	0.2
70.56618	0.2
70.56985	0.5
74.99088	0.2
79.95736	1.6
83.05000	0.2
85.02962	0.2
87.00916	0.3
93.03447	0.2
96.96003	100.0
97.95942	0.3
102.05598	0.4
102.98579	0.2
119.05003	1.2
120.99644	0.8
128.03543	0.8
146.04610	1.0
150.17667	0.2
155.08258	0.2
158.06000	0.2
191.75458	0.2
199.00604	0.3
212.32329	0.2
223.62779	0.2
233.01556	0.2
259.06360	0.2
303.09039	26.5
303.13983	1.5
304.09433	2.4
304.14374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	17.1
61.98814	8.0
70.51279	4.9
70.51659	4.8
74.02488	6.0
76.13822	2.9
82.85643	3.1
83.01355	6.2
85.02994	3.2
88.04029	5.1
93.03471	9.1
96.96020	7.0
96.96934	4.7
107.01400	4.8
121.02940	9.1
123.00865	6.9
124.54298	3.2
125.02447	26.4
137.02409	7.6
139.03999	100.0
151.00365	27.5
152.00565	3.7
164.07149	3.7
165.07506	4.2
169.01396	9.2
169.09900	3.4
196.97687	4.2
207.59880	3.7
226.11285	2.9
228.96416	3.5
241.08151	4.5
249.11554	3.2
258.14774	6.2
300.98901	7.4
301.05725	41.7
301.09058	3.9
302.06375	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	301.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03252	13.8
58.12584	13.8
59.01371	25.7
61.98832	15.1
69.88755	67.1
72.42245	15.1
75.00866	23.7
77.63800	14.6
78.95916	41.7
86.77605	17.6
96.96959	69.3
98.20749	18.5
99.75876	18.6
116.05042	17.0
116.07166	27.4
130.06627	100.0
133.27603	16.1
136.46523	14.8
137.02441	35.4
138.02806	20.1
145.66051	15.5
150.96767	17.6
156.71175	14.0
203.08257	51.5
204.40614	19.0
241.03773	26.2
241.05956	18.4
244.33694	16.0
250.74506	15.6
258.14584	17.3
301.04889	77.3
301.10696	35.5
302.17325	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	301.1656
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.57111	0.2
58.20963	0.2
59.01359	0.3
60.97496	0.7
69.33829	0.4
69.34241	1.3
74.99044	0.9
91.02219	0.2
118.96286	0.8
131.04010	0.2
134.99380	6.1
135.99319	0.4
136.33183	0.2
136.97308	2.3
141.07384	0.2
143.05313	1.6
150.98824	0.4
159.08437	1.6
161.06375	5.9
162.06653	0.3
201.04030	0.7
203.05624	2.9
205.03586	1.1
215.05626	1.2
217.07170	87.6
218.07304	6.6
235.08318	0.3
249.14877	0.2
258.17310	0.2
260.91486	0.2
261.06149	0.8
283.11996	0.5
283.15714	0.2
285.13428	37.2
286.13632	4.0
301.16550	100.0
302.16766	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	301.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	91.8
60.01701	0.7
61.98817	0.5
70.20204	1.4
74.72118	0.3
93.50114	0.3
114.98882	0.7
115.02504	11.7
116.02621	1.0
117.00438	8.8
118.00606	0.5
141.00496	0.5
152.20688	0.4
153.67693	0.4
154.41231	0.3
156.90300	0.5
156.93082	2.3
156.99953	0.6
157.03511	2.4
158.92828	1.1
159.01477	100.0
159.97438	0.4
160.01611	7.4
201.02522	23.7
202.02689	2.4
217.00542	0.8
220.32521	0.5
222.02617	0.4
223.68317	0.4
244.70346	0.4
246.56470	0.4
257.03754	0.6
259.01593	2.8
276.64169	0.4
283.01602	0.4
301.02628	54.6
302.02765	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	301.0714
Annotation	Aromadendrin 3-methyl ether
Peak:m/z	Relative Intensity
59.01388	0.9
63.02400	0.8
65.00344	2.1
69.27122	6.3
83.01392	1.8
83.05042	1.2
93.03453	81.8
94.03827	2.1
98.19872	1.1
107.01399	3.2
107.05023	22.2
117.03491	0.9
124.01660	0.7
125.02512	1.0
129.52194	0.8
151.00356	7.6
152.01158	2.2
153.01846	0.8
161.02457	0.7
163.00365	1.7
165.12723	0.9
171.08090	1.1
173.06085	1.2
178.99896	2.4
183.08133	1.1
185.09702	2.3
195.08131	11.9
196.08479	0.7
197.06078	1.3
201.05460	0.9
206.99307	2.6
208.00078	1.4
209.11813	24.2
210.12213	1.0
211.07646	7.0
212.08287	1.3
213.09189	100.0
214.09526	7.3
215.03569	0.7
227.07115	0.7
227.12862	1.6
239.07127	1.7
244.07382	1.2
245.04544	6.3
257.08218	6.2
273.04028	9.1
283.06073	1.2
301.03552	3.2
301.07101	36.9
302.07468	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	299.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98495	0.7
59.01371	3.7
70.51850	1.7
70.52222	1.6
71.01357	1.7
73.02931	0.9
78.95913	1.8
85.02950	1.1
89.02435	1.2
89.71017	0.7
93.03452	65.7
94.03790	2.0
101.02440	1.7
113.02406	1.3
137.02435	100.0
138.02792	4.1
153.37540	0.9
184.11206	1.0
217.00433	0.9
220.21465	0.8
256.26672	0.9
284.03229	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	299.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63452	0.8
57.03439	1.4
59.01373	17.3
62.90135	0.8
69.03452	1.0
69.36766	7.1
69.70866	0.7
70.00200	0.8
71.01385	3.2
78.63209	0.9
80.02692	1.3
81.03455	2.7
83.05032	4.5
84.02144	1.0
85.02951	2.8
87.00884	1.0
89.02436	2.6
91.04009	3.1
93.03451	2.1
95.05008	1.4
97.02947	6.7
97.06593	3.0
98.20621	1.7
99.02746	0.8
101.02443	1.1
109.06584	29.1
109.07337	1.6
110.03725	2.4
111.04501	1.2
117.45220	0.9
119.03500	1.3
119.05024	1.6
121.06576	2.1
125.06068	1.3
135.08157	3.0
137.02422	0.9
137.09637	0.9
139.11353	0.9
142.02661	2.8
143.07101	3.3
145.02870	1.0
149.09631	0.8
161.09718	2.5
163.11272	22.7
164.11620	1.8
173.04482	1.3
174.99211	1.1
179.10809	0.9
181.12311	6.0
183.10234	2.0
186.01973	0.8
189.09148	5.9
201.11244	1.7
207.10240	100.0
208.10622	6.7
217.00246	3.1
225.11295	48.0
226.11630	2.1
227.03558	1.0
231.60822	0.9
240.04236	1.1
241.04959	2.1
243.02977	1.3
255.02875	2.3
269.04532	2.5
271.02377	4.5
284.03217	8.5
284.06262	1.4
299.01984	2.6
299.05630	6.1
299.09360	3.2
299.14978	32.2
299.18597	17.9
299.25735	1.5
300.02682	4.1
300.15359	3.1
300.18652	1.4
311.10870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.5
50.42437	0.2
59.01374	2.7
68.01406	2.4
69.31710	1.0
69.32136	1.1
71.01383	0.9
72.01720	0.2
72.75587	0.2
79.95311	0.2
79.95737	0.7
80.96511	0.3
81.96421	0.3
87.00864	0.7
89.02456	0.6
96.04565	0.4
101.02393	0.3
109.01678	0.3
110.02467	0.2
122.02492	0.9
122.06099	0.3
123.03248	5.4
124.04046	0.4
124.07660	0.8
125.06118	0.5
130.08669	0.5
136.07678	0.7
137.04834	0.7
137.89601	0.2
138.05594	100.0
139.05954	3.8
139.93073	0.2
152.07153	1.5
166.08681	0.6
167.05841	1.9
168.06668	0.9
170.08170	0.5
180.06627	5.1
190.99854	0.5
196.95834	0.4
198.95439	0.3
206.02196	0.7
210.07712	0.5
214.15709	0.3
220.06177	1.1
221.04506	1.4
222.07603	0.2
233.00465	0.2
253.97876	0.2
300.10849	18.1
300.19119	0.5
301.03287	0.3
301.10907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.11708	0.3
55.01879	0.3
59.01377	2.7
65.03946	0.4
71.01377	2.3
71.38895	0.6
73.02943	0.9
82.42452	0.4
83.36205	0.3
85.02938	1.3
89.02427	1.2
93.03452	61.6
94.03791	1.3
96.90187	0.3
101.02429	1.4
113.02431	0.9
118.78483	0.3
119.03477	0.5
119.04996	0.6
129.72849	0.3
137.02435	100.0
138.02783	4.0
138.05574	1.3
161.04570	0.5
185.78571	0.4
299.07657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01140	0.3
59.01378	3.3
66.00411	0.3
70.19299	0.3
71.01379	2.9
71.32249	0.5
73.02949	0.7
76.73196	0.3
84.46140	0.3
85.02946	1.1
87.00874	0.4
89.02450	1.6
93.03452	57.1
94.03804	1.5
97.69730	0.3
101.02412	1.6
108.02187	0.5
113.02425	0.6
119.03529	0.3
119.05018	0.6
123.03291	0.3
137.02435	100.0
138.02774	3.3
138.05589	2.9
161.04546	0.5
174.99115	0.3
206.72702	0.3
209.38770	0.3
217.00262	0.9
268.95947	0.3
299.07852	1.7
299.10785	0.3
312.72583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73207	0.4
57.03419	0.5
57.72639	0.4
58.00602	0.6
58.99624	0.5
59.01374	16.7
69.68054	2.0
71.01379	7.4
72.13929	0.4
72.86158	0.4
72.99317	1.0
73.02943	17.9
79.95730	5.9
80.96515	3.4
83.05029	0.5
85.02953	2.8
87.00870	11.4
89.02433	7.0
93.03452	1.8
94.97873	0.4
96.95998	0.7
97.02934	0.5
98.00867	0.4
98.20592	0.8
99.00863	0.5
101.02438	3.8
102.98572	1.1
103.04016	0.4
108.02142	1.3
113.02438	2.5
114.05634	0.5
115.03999	0.7
119.03513	2.4
119.05030	0.8
121.02949	100.0
122.03279	3.8
126.95316	0.7
130.08716	1.8
131.03540	0.9
133.05064	1.4
135.04558	0.5
137.02446	2.7
138.01962	7.0
141.01991	0.5
149.04521	1.7
152.96823	1.2
168.96277	2.1
173.04584	0.7
177.04022	1.4
181.03256	0.9
186.02892	0.4
191.05624	0.5
195.42412	0.4
196.95833	6.0
203.49184	0.4
215.18280	0.4
217.00319	2.3
217.38445	0.4
220.06134	0.7
284.03201	3.7
299.02768	2.7
299.08246	2.9
299.11331	1.0
299.14847	0.9
300.19376	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	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03448	1.0
59.01374	1.8
69.48396	3.6
80.87907	0.5
90.22078	0.4
98.20620	0.9
99.08195	0.6
107.54931	0.5
120.33236	0.5
125.09669	1.0
127.11220	0.6
128.87453	0.5
135.25906	0.5
141.12790	0.9
171.10262	34.1
172.10614	1.7
195.13892	1.9
277.21698	43.6
278.21994	3.8
295.22748	100.0
296.23114	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	295.2274
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
59.01373	13.1
71.01358	1.3
71.22876	0.7
71.29639	1.6
83.05038	1.2
98.20610	0.8
111.08149	3.2
113.09716	2.8
135.75729	0.8
137.36151	1.0
139.07639	1.8
153.76967	0.8
157.08679	65.5
158.08968	3.8
158.80354	0.9
195.13869	1.9
206.81642	0.8
235.08212	1.2
238.81401	0.8
259.20673	0.8
271.20251	0.8
275.19867	0.9
277.21686	59.2
278.22037	6.2
295.22748	100.0
296.23096	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01374	9.9
62.54779	0.7
71.01379	1.6
71.63165	0.7
71.63509	0.7
89.02411	1.0
91.22887	0.6
101.02425	0.8
106.69254	0.6
113.02380	0.6
139.17000	0.7
159.03069	0.7
183.01190	25.0
184.01991	5.9
187.44438	0.8
197.02679	0.7
216.00995	4.0
237.09744	2.2
251.23941	0.9
279.22925	1.4
295.22940	0.9
297.15277	67.2
297.24323	100.0
298.15652	6.2
298.24646	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	299.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99590	3.9
59.01374	13.4
71.01377	7.6
71.62636	1.0
72.99303	0.8
73.37396	0.8
79.95731	87.5
80.96510	57.7
80.96949	1.0
85.02928	2.7
87.00867	83.1
89.02434	8.8
93.03452	1.4
94.98046	1.5
95.01427	1.0
96.94217	1.4
96.95947	0.8
97.19712	0.8
101.02428	4.4
101.03001	0.7
101.06091	1.7
102.98586	12.6
106.98030	1.0
113.02415	2.7
114.05566	1.5
119.03471	3.6
119.04993	2.8
124.93753	3.7
126.94468	0.8
126.95297	12.0
127.07549	0.8
132.04497	0.9
135.04498	1.4
137.02397	3.6
137.06015	1.0
138.05597	5.4
152.95622	1.5
152.96840	18.3
166.72810	0.8
168.96332	31.6
170.08173	1.7
184.73177	0.8
191.05455	0.8
196.95813	100.0
197.96054	2.5
211.04292	1.1
217.00237	2.0
220.06148	3.9
227.13979	1.9
248.29619	0.8
284.03296	5.9
299.02548	45.6
299.05185	2.6
299.11172	3.0
299.14941	2.1
300.02762	3.7
300.10742	0.9
300.15286	1.1
318.78165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1911
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
50.38433	0.7
54.18921	0.8
57.03441	1.4
58.30634	1.0
59.01371	21.6
61.98831	0.8
67.01906	0.8
69.03484	0.8
71.01378	1.6
71.63091	0.8
73.02941	1.2
85.02952	0.8
87.01502	0.7
97.06568	0.9
101.02443	1.2
108.43102	0.8
111.04544	0.7
115.21532	0.7
123.08170	2.5
125.06067	1.1
125.09727	5.9
127.11305	2.2
137.09627	1.1
139.11252	0.9
141.09222	2.5
141.12845	1.0
151.07524	0.7
153.09198	1.8
165.13036	0.9
169.12341	1.4
171.10286	3.6
179.14470	0.7
195.13947	2.8
199.09740	6.4
200.10539	6.3
201.11278	3.9
203.30807	0.7
213.11327	1.1
222.15767	0.7
232.87552	1.1
233.19156	5.5
235.08163	1.4
249.18651	1.4
251.20103	1.5
267.19479	0.8
277.18103	11.3
277.21579	2.2
278.18573	1.5
295.19168	100.0
295.22760	17.3
296.19479	9.5
296.22751	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03440	0.6
59.01376	2.5
69.94018	0.9
83.05026	0.5
84.88692	0.3
85.16764	0.3
94.15123	0.2
97.06612	0.3
98.20676	0.3
99.08196	0.4
108.48907	0.3
113.09709	2.4
136.77382	0.3
177.12817	0.6
179.14302	0.9
181.12369	0.4
181.63081	0.3
195.13879	17.5
196.14267	1.0
259.20636	0.3
275.19922	0.3
277.21677	17.7
278.22034	1.7
295.22745	100.0
296.23093	9.6
302.33792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96000	0.5
55.50087	0.5
59.01376	25.4
69.71856	3.1
71.01372	0.9
91.55453	0.4
101.02411	0.7
103.49995	0.5
106.75826	0.5
111.86923	0.5
127.89899	0.5
137.08710	0.6
171.10164	0.6
177.12926	0.6
183.13881	14.4
184.14320	0.7
195.13885	14.5
196.14166	0.7
211.13301	0.7
213.14941	100.0
214.15294	6.3
223.13109	1.6
235.08209	0.7
235.13205	3.0
237.11142	1.5
265.13034	0.9
267.12119	2.3
277.17999	0.8
279.12122	1.6
283.13840	0.6
295.10349	1.1
295.15356	13.0
295.19009	1.1
295.22583	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	295.1185
Annotation	Amotin
Peak:m/z	Relative Intensity
55.01867	1.5
57.03448	10.4
59.01121	1.6
59.01377	18.1
61.75375	1.4
62.18735	1.3
67.01863	1.7
69.03438	4.3
71.01364	2.0
71.05015	2.2
71.62912	2.5
73.02937	3.0
80.02623	1.7
80.96504	5.7
83.05009	7.6
85.02927	6.4
85.06547	1.7
93.03443	9.0
95.05019	25.7
96.95985	6.0
97.02969	2.0
97.06548	1.5
98.03722	2.9
101.02348	1.6
109.02892	4.2
109.06573	4.5
111.04505	23.1
111.08120	4.9
113.02408	2.0
113.06079	29.3
115.03971	6.2
120.05833	1.5
121.02941	6.3
121.06610	8.8
121.10220	1.8
122.03776	2.3
123.08121	6.2
124.05296	3.2
133.06558	2.7
135.03082	1.7
135.04268	1.4
135.08141	3.1
137.06026	5.6
137.09671	4.4
138.06822	2.5
139.07605	5.5
140.44754	1.3
147.08009	2.1
149.09700	12.8
151.03963	2.2
151.07549	2.7
155.07179	2.7
160.01642	2.2
161.09712	1.6
163.07532	1.7
163.11200	4.4
164.08406	1.4
165.09177	9.1
171.11755	8.4
173.04550	31.7
173.09648	2.9
176.04840	1.6
189.12828	90.9
190.13139	6.2
207.13908	7.6
215.10718	2.3
233.11720	1.7
251.12848	100.0
252.13098	6.0
253.75110	1.8
295.08447	12.6
295.11783	84.0
296.12122	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06828	0.2
58.49672	0.3
59.01376	21.5
61.98823	0.9
66.42464	0.2
69.99780	1.1
71.01369	0.5
73.02939	0.3
79.12935	0.3
83.05029	0.9
85.02945	1.2
87.00832	0.3
93.03455	1.1
98.19897	0.3
108.02150	0.4
111.04533	1.5
121.02949	100.0
122.03275	3.5
133.66229	0.2
155.03490	1.7
167.03432	0.5
173.04483	2.2
235.11853	0.8
295.08258	3.6
295.11639	0.3
295.12808	0.3
296.08597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39606	0.3
58.19907	0.3
59.01371	1.0
70.31265	1.2
77.03979	0.7
83.05021	0.4
85.02957	0.8
93.03447	1.6
98.19917	0.3
108.02169	0.4
111.04501	1.7
121.02945	100.0
122.03281	4.6
135.35321	0.3
137.02473	0.4
151.00325	0.4
152.01161	0.4
155.03522	1.5
167.03549	0.5
171.37642	0.3
173.04547	2.3
295.04770	0.5
295.08148	3.9
313.22745	0.3
318.56415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.9
59.01376	76.1
60.01688	0.9
61.45304	1.0
71.01382	36.1
71.19073	1.5
72.99302	3.4
73.02943	1.0
78.03960	1.2
80.89435	0.9
83.01377	1.7
84.50897	0.9
85.02943	7.5
87.00866	2.2
87.79446	1.0
89.02438	47.9
90.02783	1.1
91.17855	0.9
95.01372	2.3
101.02438	23.6
104.37913	0.9
113.02448	17.0
115.04005	1.7
119.03487	20.2
131.03514	1.5
133.05049	1.1
133.12648	1.1
143.03494	2.7
149.04578	1.5
161.04538	1.5
179.05669	2.1
278.89383	1.2
295.10315	100.0
295.98764	1.1
296.10666	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36438	0.6
57.03442	2.1
58.72972	0.6
59.01375	6.5
59.51436	0.7
60.99301	7.6
67.01882	15.2
68.02227	0.7
69.03443	4.3
70.62698	2.2
71.01377	5.5
71.01740	0.8
71.05029	0.9
71.96800	0.7
75.03072	0.7
81.03458	3.6
83.05024	2.0
85.02928	1.6
87.00871	24.2
88.01270	0.9
93.03451	100.0
94.03795	2.7
94.76849	0.6
96.96007	3.9
99.00879	2.5
99.04505	1.5
101.02416	0.8
109.02920	1.2
111.04515	19.8
111.05288	1.0
113.02434	2.5
121.02944	46.3
122.03316	1.5
129.01923	4.3
139.75433	0.8
143.03461	1.2
155.03517	3.4
165.01610	0.7
165.03796	1.4
166.23294	0.7
173.04530	89.5
174.04886	3.9
195.27875	0.7
208.08421	1.2
208.58376	0.8
295.08221	60.4
295.22797	1.5
296.08533	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	293.212
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
54.41462	0.6
57.03444	6.2
59.01370	2.2
69.41739	1.3
69.42147	3.9
91.16273	0.6
97.06590	1.1
113.09719	16.5
114.10019	0.7
125.09790	1.0
139.11270	1.1
149.09741	1.3
152.58904	0.7
167.10777	2.1
171.10239	1.6
179.10774	1.8
185.11690	0.8
195.13855	2.7
221.15340	0.6
249.22273	2.8
275.20148	3.3
293.21201	100.0
294.21542	10.4
310.51523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82798	0.4
57.03444	1.0
61.50213	0.4
70.03575	1.9
80.22827	0.4
88.49717	0.4
91.38765	0.4
93.21218	0.4
97.06569	1.2
112.65754	0.4
123.08146	0.7
125.09684	3.8
141.12843	1.7
145.99353	0.4
149.08673	0.5
149.09718	1.8
160.56969	0.4
185.11790	7.8
186.12189	0.7
197.11746	2.7
230.63515	0.4
236.10623	0.5
240.03242	0.5
249.22133	1.0
257.82565	0.5
275.20087	1.2
293.21188	100.0
294.21545	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91040	0.4
57.03428	0.6
59.01370	1.8
59.63859	0.4
67.01888	5.5
69.03461	0.8
71.01382	3.2
71.07986	0.5
71.08319	0.7
81.03426	0.5
85.02962	0.4
91.37029	0.4
93.03450	25.3
94.03761	0.6
109.02910	0.6
109.19036	0.4
111.00858	0.9
111.04521	4.3
113.02430	0.6
121.02950	24.6
122.03292	0.9
127.04015	0.7
137.02434	4.0
147.28662	0.4
155.03493	3.2
173.04532	100.0
174.04855	3.4
272.06958	0.4
295.08267	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43594	0.9
50.52608	0.9
52.57319	1.1
56.66674	0.9
59.01362	1.3
69.30518	8.9
69.30920	2.7
98.20663	1.5
121.10223	30.9
171.10257	56.7
172.10539	1.6
198.13448	1.2
224.15698	1.1
231.21153	3.8
266.57483	1.1
275.20123	100.0
276.20480	9.4
286.83347	1.1
293.21204	66.3
294.21481	5.7
313.33670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01363	1.4
70.90081	1.6
71.60525	0.6
83.11423	0.6
106.02168	0.7
112.46252	0.6
171.10236	1.0
179.14340	1.0
195.13860	13.0
196.14580	2.3
205.12325	1.0
223.13364	11.3
224.13853	1.1
228.13644	1.1
231.21101	0.7
256.13086	3.7
262.09296	0.6
265.21851	0.7
275.20120	9.6
276.20450	1.0
293.21204	100.0
294.21558	9.4
305.49905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2115
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01367	6.0
61.98808	4.3
66.97490	1.6
68.99562	1.8
71.62321	1.8
71.62656	1.7
96.96030	2.0
111.25317	1.7
112.98508	3.9
120.79045	1.8
121.02863	1.7
121.10187	4.0
152.91710	3.4
171.10233	3.3
194.92757	2.3
195.13950	10.3
205.12225	2.3
221.15503	3.9
223.13336	7.0
225.95891	1.8
232.87344	2.1
236.10422	3.6
250.88362	3.1
256.13168	2.8
269.01678	1.7
275.16617	3.0
275.20062	9.9
293.17596	13.1
293.21143	100.0
294.21442	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57676	0.7
57.03426	1.1
59.01366	3.4
61.98811	1.3
66.47815	0.6
69.98063	1.7
69.98450	0.9
71.01366	2.5
71.05023	0.7
71.73028	0.6
83.05011	0.7
91.04743	0.6
93.07101	0.8
97.21465	0.6
100.92503	0.8
104.36227	0.6
123.08122	0.9
136.08899	1.2
139.11276	1.0
140.99756	0.7
151.11275	2.0
152.91714	1.3
169.12299	1.8
173.29007	0.7
177.09146	1.0
177.12851	0.8
192.11510	1.6
193.15964	2.5
197.11803	32.7
198.12148	2.0
220.14639	7.4
221.15448	14.1
222.15715	1.2
231.21207	1.6
236.10542	11.7
249.18622	1.2
275.17270	1.4
275.20145	21.9
276.20508	2.2
293.21188	100.0
294.21487	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.92986	0.3
55.89371	0.3
57.03444	3.0
57.40764	0.3
59.01369	3.4
61.98815	0.6
69.03448	0.4
69.89877	1.6
71.01373	1.5
97.06579	1.0
98.19899	0.3
109.06593	0.3
113.09715	6.3
121.10218	1.6
123.08157	0.5
125.09696	2.8
129.11020	0.3
139.11290	0.7
141.12859	0.7
149.09668	1.7
152.91765	1.1
156.13962	3.8
157.14275	4.1
167.10771	0.8
167.14417	0.5
171.10242	3.0
177.09145	0.6
179.10730	0.6
185.11800	6.3
192.11534	0.8
194.92749	0.7
195.13887	1.5
197.11761	1.7
205.12283	0.7
211.48643	0.4
220.14659	5.5
221.15439	11.6
222.15799	1.2
232.87419	0.8
236.10500	8.3
237.10835	0.9
249.22205	1.3
251.12825	0.7
275.20114	4.6
276.20276	0.5
293.21194	100.0
294.21518	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97590	1.5
58.00581	1.4
59.01375	64.7
71.01376	57.8
72.99298	1.7
73.02931	2.3
83.14441	1.1
85.02946	17.4
89.02438	100.0
90.02744	1.4
95.01385	5.2
101.02429	7.9
113.02438	26.7
119.03486	1.6
131.03499	10.8
134.03723	5.7
135.04495	1.8
143.03577	1.6
149.04544	34.1
161.04568	4.8
195.14290	1.2
211.21245	1.5
232.89772	1.2
260.84103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03432	0.7
58.00583	2.3
59.01375	38.1
69.03452	0.7
70.50764	0.7
71.01376	21.0
71.13223	1.2
72.99310	1.2
73.02946	1.6
83.01378	1.8
85.02953	4.7
85.06574	13.6
86.06962	0.7
86.34363	0.6
87.00865	1.4
89.02435	21.1
95.01358	1.8
96.96014	2.3
99.00864	0.9
101.02434	13.4
113.02441	7.8
113.06071	3.9
115.07635	1.6
119.03491	9.1
125.79008	0.6
127.07613	2.2
128.61278	0.6
130.08688	1.5
131.07129	58.6
132.07474	2.1
135.24284	0.5
143.03473	1.1
149.04472	0.6
156.27719	0.6
161.04544	1.6
163.07991	0.5
164.03445	0.6
173.08145	1.9
174.17984	0.5
185.28706	0.7
205.88440	0.6
221.15436	0.6
225.19003	0.6
293.12390	100.0
293.21173	1.6
294.12808	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	293.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23601	0.2
56.34293	0.2
68.32879	0.2
69.46354	1.0
69.46780	0.8
71.01378	7.6
127.07648	1.0
148.05286	1.2
151.07585	0.6
164.08418	1.2
177.09196	4.9
190.09917	0.5
192.11560	7.1
193.12051	0.7
205.12306	6.7
206.12598	0.4
207.13896	1.0
217.08612	0.4
218.09418	1.9
220.14661	45.5
221.15427	100.0
222.15775	7.0
231.17351	0.3
235.13326	1.1
236.10503	69.7
237.10878	5.1
275.19867	0.3
293.14105	0.9
293.17557	11.3
293.20963	1.0
294.17944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.5
59.01374	4.8
61.98857	0.7
71.01376	1.1
71.62585	0.8
71.63024	0.6
88.44260	0.5
111.08159	0.7
112.98582	0.8
121.10231	1.6
152.91777	1.3
156.13919	100.0
157.14268	3.8
171.10219	3.8
183.91722	0.5
192.11533	0.9
200.12862	4.4
205.12350	0.9
213.42519	0.6
213.89154	0.6
220.14627	5.2
221.15443	10.0
233.10342	1.3
234.63271	0.6
236.10495	7.0
250.88428	0.7
274.18951	0.8
275.20111	4.6
285.52267	0.5
292.19955	14.9
293.17535	1.9
293.21161	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0877
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
59.01374	62.1
69.34709	7.0
69.35136	13.7
71.01376	52.7
73.02957	3.1
83.01390	2.1
85.02934	16.0
89.02441	100.0
92.05405	2.3
95.01368	5.6
96.95983	7.0
101.02423	12.0
113.02443	25.6
119.03500	2.9
122.65742	2.1
131.03513	12.1
134.03731	11.2
135.04489	5.5
149.04555	28.4
150.04938	2.4
161.04520	5.6
169.39365	2.3
178.02727	3.0
221.15332	3.4
231.10298	3.6
238.87599	2.4
264.89755	2.4
275.09122	2.9
293.10168	4.3
293.21420	4.8
303.55820	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	292.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79783	1.9
55.01097	1.8
55.01867	3.3
57.09672	1.8
59.01366	3.1
60.99290	6.7
70.57420	1.9
70.57790	6.2
71.05020	5.3
76.20055	1.8
79.05545	2.3
80.96525	2.2
83.13858	2.0
87.00881	3.1
94.06609	2.1
119.07436	2.1
120.08167	3.9
130.06558	2.3
134.09746	86.6
136.12131	2.2
146.09766	5.0
148.11263	6.0
152.91716	2.9
160.07623	3.9
161.06148	2.3
171.10426	2.2
174.09334	2.3
174.12852	11.5
174.32857	2.0
184.11247	2.9
186.12851	63.5
187.13220	3.1
189.11581	24.7
190.12378	21.7
191.12468	2.3
204.13907	89.4
205.14244	5.4
212.14427	11.1
221.15434	3.1
223.63774	2.1
230.15462	100.0
231.15813	7.4
248.12875	57.3
248.16510	6.9
249.13150	6.4
292.15488	22.7
292.19940	8.2
293.21188	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	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02992	0.6
59.01383	4.3
69.79796	2.1
71.01388	0.9
81.17766	0.5
88.39381	0.5
103.30048	0.5
110.39161	0.5
113.09748	0.7
125.09706	1.3
152.91743	1.6
156.13927	100.0
157.14293	4.6
167.90456	0.7
171.10185	0.5
185.11841	2.1
192.11578	0.6
194.92772	1.2
200.12891	4.6
220.14687	4.4
221.15465	9.3
232.87418	1.0
236.10536	8.5
250.88480	1.1
275.20285	0.8
292.09174	0.7
292.19974	9.1
293.17834	2.1
293.21207	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	291.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
58.00888	0.2
59.01367	0.4
63.83664	0.3
63.88042	0.2
70.17722	0.2
70.77245	0.5
78.31817	0.3
95.05002	0.4
106.04224	0.5
106.83456	0.3
119.05019	0.4
125.06062	0.5
125.33482	0.3
129.68100	0.3
129.95219	0.3
148.08943	1.4
149.09576	0.3
150.10481	1.3
151.11259	0.5
163.11275	1.2
165.12836	22.0
165.69012	0.3
166.13181	1.2
175.11269	0.8
176.12053	0.8
177.12825	0.5
179.14439	0.3
191.14429	0.5
217.15875	0.6
245.19046	0.4
247.20639	10.9
248.21004	1.0
273.18579	5.0
274.18881	0.6
291.19626	100.0
292.19998	10.1
298.19653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.64925	0.6
59.01371	1.3
61.98822	1.2
63.12279	0.6
73.02941	45.8
74.03268	0.8
105.21034	0.7
121.10214	1.4
125.09743	0.8
163.04198	0.7
165.12823	1.2
185.11801	1.6
235.48695	0.6
271.25055	0.7
291.19635	100.0
292.19955	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	291.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49302	0.3
57.03430	1.7
60.95722	0.3
63.39268	0.4
69.58649	0.9
69.59053	1.4
70.93889	0.3
93.07098	1.2
97.06595	1.9
102.86480	0.4
121.09327	0.8
121.10223	15.6
122.10547	0.6
123.08137	1.4
123.57314	0.4
125.09702	7.9
141.12827	1.3
147.08124	0.7
158.21732	0.5
171.10182	0.4
185.11806	14.8
186.12059	0.8
197.11790	4.2
209.11824	1.8
211.13344	1.7
220.84201	0.4
223.13367	1.1
229.19499	0.4
247.13269	0.5
247.20638	1.0
257.49307	0.4
273.18588	1.3
291.19614	100.0
292.19974	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.40177	0.6
58.00613	0.6
59.01373	100.0
60.01715	0.7
69.35049	5.6
69.89949	0.5
69.98046	0.6
71.01369	4.9
73.02943	2.0
76.25480	0.5
80.82840	0.6
83.01382	2.1
85.02964	2.7
89.02442	0.9
93.02789	0.5
96.24931	0.6
96.91712	0.5
96.96017	1.1
98.20576	1.1
99.00862	0.7
101.02428	6.4
112.31267	0.6
112.48569	0.6
113.02470	2.4
120.99666	2.5
133.56607	0.6
161.04575	2.0
173.04492	0.6
179.58493	0.6
246.65578	0.7
249.13362	8.6
291.08780	1.0
291.19736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.9
66.90938	0.4
69.43398	3.3
71.73996	0.4
113.88393	0.5
119.04935	0.6
121.10172	0.5
139.13239	0.4
148.08881	1.6
149.09769	0.6
150.42407	0.5
151.11241	1.4
153.12811	1.2
163.11272	0.8
165.12807	2.1
175.11252	1.1
177.12799	0.7
203.14374	1.8
223.13304	0.8
237.14944	0.8
247.20625	6.8
269.57043	0.5
273.18567	1.4
291.19620	100.0
292.19962	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	291.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94912	0.6
56.86189	0.6
57.03442	0.9
59.01370	2.5
66.11205	0.6
70.90315	0.9
70.90629	0.9
71.01345	0.8
71.05016	14.2
83.05040	0.7
92.52219	0.6
97.06588	4.6
111.08163	3.7
119.08620	0.7
121.10235	3.5
123.08173	0.7
125.09692	1.5
165.12849	0.7
171.10281	1.3
181.12416	0.8
185.11832	4.3
194.48779	0.7
195.13893	2.6
197.11833	1.6
207.13780	0.9
209.11700	0.8
219.13818	1.6
229.19528	0.8
235.16994	1.8
245.45770	0.7
247.20592	2.9
273.18643	2.7
291.19626	100.0
292.20032	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	291.127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
67.60864	0.3
96.96009	0.7
98.19854	0.8
102.98595	0.7
120.99645	100.0
121.99985	1.2
139.11278	0.5
163.03949	0.4
179.03377	0.3
273.03827	0.6
273.07742	0.8
291.12564	0.4
291.16360	0.5
291.19699	1.0
291.63486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61795	0.6
59.01374	100.0
60.01711	0.9
60.62205	0.5
70.58199	1.3
71.01385	5.4
72.99344	0.7
73.02950	2.0
83.01379	0.8
84.48486	0.5
85.02954	3.4
89.02434	0.9
95.01379	0.6
96.95984	0.6
101.02435	5.9
102.02821	0.5
102.44992	0.5
111.93707	0.6
113.02444	1.6
121.31356	0.5
123.57436	0.5
161.04605	2.0
171.10258	0.5
203.11105	0.5
217.03304	0.5
249.13396	9.0
291.14395	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	291.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01370	6.3
63.81317	0.4
66.16314	0.4
67.01877	4.3
69.03453	0.4
69.63083	0.5
70.62556	1.4
71.01371	6.5
73.02939	18.8
78.52509	0.4
81.03464	0.7
81.70380	0.4
83.04990	0.9
85.02935	2.3
87.00859	1.4
87.91311	0.5
89.02425	2.7
90.32561	0.4
93.03447	21.0
95.83009	0.5
101.02433	1.4
109.02942	0.8
111.00851	0.9
111.04511	4.8
113.02429	1.6
117.05563	24.4
119.03474	1.0
129.05530	1.0
137.02434	4.0
155.03490	4.3
156.35422	0.6
173.04530	100.0
174.04843	4.2
190.69115	0.4
191.05705	0.5
247.12001	0.7
254.63390	0.5
291.10876	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	290.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.4
61.98828	100.0
68.09832	1.1
69.45900	4.7
69.46324	3.8
93.03444	3.2
96.95985	1.3
98.20718	1.5
104.97286	1.1
133.02972	2.1
161.02451	6.5
162.02783	1.4
173.04495	5.6
174.04950	2.0
208.08394	1.7
208.58638	2.2
215.50647	1.1
243.12389	1.4
269.02576	1.1
273.07602	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	291.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16196	0.5
55.56088	0.6
58.99599	0.9
59.01371	1.8
70.67006	0.5
71.01381	0.8
71.62757	0.7
73.04070	0.6
74.47643	0.5
85.02943	1.6
85.20660	0.5
87.00874	1.2
89.00681	0.9
93.03454	1.1
96.96015	1.0
102.98590	0.6
112.79678	0.5
113.04335	0.9
114.01688	0.5
117.03466	2.1
119.05018	100.0
119.63910	0.4
120.05367	4.5
120.99659	6.8
121.04091	0.6
145.02936	5.7
159.08476	33.1
160.08780	0.8
163.03993	92.0
164.04324	4.9
185.06308	0.5
203.07434	3.3
229.09003	1.1
229.23708	0.5
247.10182	3.1
273.07718	1.8
290.29361	0.5
291.08975	39.0
292.09311	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	289.1114
Annotation	Rotoxamine
Peak:m/z	Relative Intensity
50.29211	0.2
51.52976	0.1
59.01359	0.2
69.25034	1.6
69.56929	0.1
79.95305	0.2
79.95721	1.3
93.03452	0.3
96.96004	100.0
97.95958	0.4
98.20627	0.3
98.95624	0.1
98.96432	0.2
114.13228	0.1
171.10252	0.4
190.72055	0.2
289.11127	24.8
290.11490	1.9
301.37253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14069	0.3
57.03429	0.6
59.01379	1.9
60.99287	0.7
67.01890	4.0
69.03438	0.9
71.01368	3.1
71.62968	0.3
81.03436	1.0
83.04990	1.0
85.02919	0.5
87.00857	0.8
93.03452	25.6
94.03781	0.8
108.16869	0.3
109.02926	0.9
111.00896	0.8
111.04511	5.4
115.07641	34.4
116.07962	0.9
127.03976	0.5
137.02423	5.8
155.03477	5.0
159.02902	0.4
173.04530	100.0
174.04869	3.7
247.15549	0.4
289.07739	0.6
289.12955	15.1
290.13364	1.3
292.51703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
58.02964	0.3
59.01379	1.3
61.98827	0.3
66.43489	0.3
68.84901	0.3
71.17562	0.7
81.03462	1.3
92.05068	0.9
93.03439	1.6
104.17648	0.3
105.31805	0.3
107.03764	0.8
108.04546	5.4
109.02942	5.7
119.66054	0.3
124.01663	0.4
129.63441	0.4
134.02469	37.6
135.03287	8.1
136.04028	40.7
137.02414	1.3
137.04390	1.2
147.04510	0.4
148.04030	0.8
149.04814	1.2
149.34058	0.3
176.03523	4.4
177.04108	0.7
181.03790	0.6
190.05138	0.4
204.06607	0.4
238.15913	0.3
245.19025	0.4
255.68060	0.3
260.16577	0.4
288.16022	100.0
289.16177	7.9
294.80203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53058	0.8
59.01362	0.9
61.48372	0.7
61.74321	0.7
64.00988	0.6
71.01376	4.9
78.95897	47.5
85.02948	2.3
87.00861	1.5
89.96079	0.8
93.03455	1.1
96.96001	65.4
96.96953	100.0
97.10831	0.7
99.00842	1.2
115.00378	1.7
124.98752	1.0
142.99843	25.6
148.39304	0.7
152.99564	3.3
171.00600	4.4
173.00893	22.7
173.04520	1.1
191.05582	23.4
197.02118	3.4
270.98608	2.6
271.09354	0.8
289.06903	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	289.108
Annotation	trans-Resorcylide
Peak:m/z	Relative Intensity
59.01377	1.5
62.45367	0.5
69.29038	4.6
78.75926	0.5
79.05538	1.0
82.08633	0.5
89.71593	0.4
93.03460	0.6
97.06564	0.5
107.05017	0.7
119.08644	3.6
133.02919	0.6
134.00084	0.7
147.08127	5.7
148.01706	1.3
149.02409	0.4
159.04517	1.9
161.99580	1.4
165.09227	1.1
175.04176	0.5
175.07660	5.8
175.53624	1.2
177.01912	1.1
185.06102	1.0
187.07613	2.7
193.08702	2.7
203.07124	52.6
204.07423	2.9
211.13461	1.3
215.06956	1.0
231.06601	23.6
232.06935	1.6
239.12781	0.7
245.08167	0.9
246.08871	0.5
259.06085	100.0
260.06415	6.7
273.07559	1.2
274.08444	84.9
275.08768	6.2
281.10165	0.7
289.10797	72.5
289.17569	3.2
290.11179	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	287.1651
Annotation	Hynapene B
Peak:m/z	Relative Intensity
59.01378	8.9
61.98818	1.5
62.10791	0.9
64.62288	1.0
67.83911	0.8
71.05002	1.2
71.63464	1.1
74.37191	1.0
83.05048	1.1
93.03453	1.5
95.05029	5.0
97.06566	1.0
103.92999	1.0
106.04243	1.5
107.05003	2.2
109.06593	9.3
111.08125	1.2
121.06573	2.5
121.10200	1.8
123.08137	3.9
135.08148	3.0
139.50693	1.1
144.05756	0.9
145.06560	1.7
147.08157	4.4
149.09663	2.4
161.09683	2.2
173.09741	1.2
175.11328	2.2
187.11229	1.1
189.12843	5.5
215.14410	2.1
243.17537	25.9
244.17882	3.1
269.15399	3.4
287.12875	5.3
287.16516	100.0
288.16837	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	287.165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33522	0.7
59.01377	3.4
61.98841	1.0
71.62840	0.6
79.85895	0.6
80.72899	0.7
86.00173	0.7
92.12532	0.6
97.06552	1.5
102.04718	2.9
115.05511	5.5
117.07093	100.0
118.07434	3.6
119.08647	1.7
123.08173	1.4
125.09706	12.2
143.05032	1.6
171.08040	0.9
231.14038	0.8
243.17477	1.6
269.15399	1.4
287.16489	85.3
288.16833	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28304	1.5
53.44453	1.6
59.01381	7.6
61.98825	3.5
75.00884	1.4
83.05009	8.0
87.90398	1.5
93.03465	2.9
95.05004	3.0
96.32984	1.4
96.95989	5.7
97.06580	28.4
98.19819	2.5
103.23886	1.5
109.06599	1.7
128.19864	1.5
133.10233	4.5
149.09717	4.4
151.11275	100.0
152.11626	5.9
159.71066	1.4
183.13879	34.8
195.10255	3.6
227.12695	3.1
255.12338	88.8
256.12637	6.8
287.09613	2.9
287.14645	13.8
287.22342	2.5
289.01498	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	286.2386
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01374	0.9
61.98820	1.5
70.02974	0.6
71.33633	0.5
72.04527	0.4
74.06110	2.7
117.07104	8.2
118.05093	0.9
125.09772	0.7
240.23302	3.1
242.21280	1.9
268.22745	1.3
286.23849	100.0
287.16541	7.3
287.24203	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	287.0902
Annotation	Aglaidithioduline
Peak:m/z	Relative Intensity
59.01392	26.1
63.36367	23.8
66.71045	24.6
71.57504	45.3
73.02870	26.6
78.95920	28.4
84.16169	27.2
93.50680	28.3
95.25160	23.7
101.77768	26.9
103.65020	24.4
125.02423	100.0
173.43033	25.1
287.08914	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0924
Annotation	IRIFLOPHENONE TRIMETHYL ETHER
Peak:m/z	Relative Intensity
59.01376	1.1
61.19442	0.2
61.98821	0.5
95.56065	0.2
96.96011	0.5
120.08183	0.4
120.99630	0.7
125.09791	0.3
138.05588	0.4
139.43944	0.2
143.08659	0.4
148.07687	3.2
151.18802	0.3
161.02415	0.6
164.65529	0.2
173.05983	0.5
175.03964	0.8
183.13989	0.2
185.06050	1.0
186.06857	0.5
187.03938	0.5
189.05540	1.0
197.06026	1.8
198.06821	0.4
199.03996	0.7
199.07610	3.2
200.08405	1.1
203.07118	1.7
211.07544	0.3
211.13048	0.2
212.04808	0.9
213.05478	0.7
215.03525	0.8
227.03540	2.6
227.07121	2.8
228.07793	1.0
229.05054	1.1
230.05731	0.6
231.06639	0.7
232.07468	0.5
237.05537	0.3
240.04254	7.9
241.05013	4.6
243.02977	0.8
243.06592	0.6
243.17458	0.4
255.06593	14.8
256.06860	1.2
257.04504	0.7
257.08032	1.3
258.05307	2.8
259.05859	0.4
259.09702	0.6
262.04797	0.3
272.03336	0.5
272.06790	0.6
282.64587	0.3
287.09219	100.0
288.09567	8.3
298.77887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
69.39954	0.4
69.40389	0.6
79.95728	1.2
88.13496	0.1
88.37814	0.1
93.03462	0.3
96.96004	100.0
97.95942	0.3
103.03975	0.2
133.02977	0.3
133.46658	0.1
161.02428	1.2
162.49498	0.1
173.04539	1.2
195.66930	0.1
207.07712	0.3
227.12801	0.2
236.70111	0.1
241.10741	0.1
287.09564	13.5
287.14935	0.5
288.09799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22832	1.2
57.03450	1.7
59.01374	100.0
65.06205	1.2
67.80364	1.3
69.91777	2.3
69.92176	6.3
78.38809	1.2
87.14540	1.3
93.03471	2.0
96.95986	5.6
151.00377	1.3
160.33228	1.2
173.04509	5.7
180.42694	1.4
206.99147	1.3
207.13911	3.1
209.11774	8.2
225.14877	6.9
227.12863	47.8
228.13249	2.9
248.97365	1.3
251.12845	1.6
269.13892	16.4
287.14975	94.1
288.15311	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	287.1498
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
54.45812	0.5
56.00073	0.5
56.26871	0.4
57.03449	1.4
59.01373	100.0
60.01715	1.5
69.28858	5.4
96.96004	14.7
97.06578	0.6
99.04504	2.1
104.90791	0.5
109.06569	0.6
117.20542	0.6
165.12836	1.8
206.61665	0.5
207.13837	2.7
209.11810	7.5
210.12146	1.1
225.14932	5.6
227.12859	51.5
228.13162	2.8
251.12837	2.1
262.58063	0.6
269.13901	14.6
270.14331	0.9
287.14960	96.3
288.15298	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	285.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71494	0.7
54.13319	0.9
56.02657	0.7
56.44968	0.7
57.03435	6.4
58.00577	0.8
59.01378	4.8
69.03447	1.0
71.05012	1.0
83.05014	1.9
85.06573	1.9
97.06582	14.5
98.19866	1.5
101.06074	100.0
102.06400	2.6
113.06088	2.4
115.07652	8.6
121.70287	0.8
123.04499	1.1
123.08144	6.7
125.09712	96.0
126.10033	3.8
127.11291	4.4
137.09738	1.2
139.11313	0.9
152.91777	1.1
154.87759	0.8
155.10770	3.0
165.09178	2.7
169.08646	3.8
171.10217	7.7
173.88380	0.8
183.10207	2.2
187.09763	10.4
199.09853	1.4
201.11302	71.4
202.11586	3.4
211.13356	3.1
214.72765	0.9
223.17017	5.9
227.16440	2.6
249.14812	1.9
257.17545	11.8
258.17783	1.0
267.13284	1.5
267.15979	19.4
285.03967	2.8
285.07544	0.8
285.14102	1.2
285.17096	16.6
285.20251	1.5
285.27057	1.2
286.17072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01702	1.1
60.11435	0.5
64.42422	0.4
71.01379	3.6
83.05018	4.7
85.02950	0.8
89.02441	6.8
98.19677	0.5
101.02450	1.4
110.43226	0.4
113.02471	1.8
119.03591	2.1
119.05023	5.4
120.99643	9.4
129.47662	0.4
135.85617	0.5
138.83560	0.6
163.03996	0.8
179.05656	1.8
205.27158	0.5
207.15105	0.8
225.16046	13.0
226.16232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.5
58.00595	0.8
59.01381	4.8
59.19829	0.7
69.03461	1.1
69.35071	7.6
70.82063	0.8
83.05021	2.1
85.06601	1.8
95.04999	1.1
97.06583	10.5
98.20628	1.7
101.06071	100.0
102.06436	2.1
113.06062	3.4
115.07634	9.4
123.08149	6.2
125.09712	99.0
126.10079	3.8
127.11270	5.3
137.09618	1.2
155.10754	2.7
165.09132	2.7
169.08722	3.4
171.10249	8.0
178.75516	0.8
183.10217	2.4
187.09746	11.9
199.09782	1.1
201.11304	66.2
202.11665	3.7
211.13385	1.5
223.17039	6.5
224.17146	0.8
227.16626	1.3
239.16553	0.9
239.54370	0.9
241.09694	1.7
242.84415	0.9
249.14896	3.0
257.17569	11.4
258.17892	1.2
267.15976	19.6
268.16406	1.3
285.03995	2.1
285.17056	15.1
285.20306	1.5
285.26947	1.1
286.17587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.01374	2.4
71.01395	1.0
71.61490	0.9
74.02454	0.7
78.95872	0.6
81.03453	1.2
85.02961	0.6
87.00922	0.6
87.82104	0.5
93.03452	1.5
95.42184	0.4
96.96042	0.4
101.02401	0.5
108.02169	100.0
109.02991	14.6
113.96011	0.4
119.05013	0.7
119.49758	0.5
120.99672	0.7
121.02954	1.3
123.04501	4.2
133.02969	0.7
133.33372	0.5
135.04524	0.7
137.02443	0.5
145.28860	0.5
151.03992	1.2
152.01143	62.2
152.91728	1.6
153.01930	31.5
154.02261	1.0
163.03886	1.1
165.01949	1.1
173.04509	3.4
203.02505	0.5
269.11340	0.7
284.26733	1.6
285.06125	66.8
286.06415	3.6
286.14093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44592	0.8
55.45165	0.8
59.01376	7.7
61.35050	0.8
61.98809	1.2
64.61387	0.7
67.01884	2.1
67.79093	0.7
69.87906	0.8
71.01372	3.5
71.31539	0.7
71.62099	0.9
72.00901	10.0
73.02946	1.1
74.02470	13.1
78.95907	1.0
79.95729	2.0
80.96525	2.3
85.02944	1.1
87.00873	2.7
93.03474	4.2
95.05009	2.5
96.96003	1.0
96.96931	2.7
101.02425	2.4
108.02145	2.9
109.02953	13.1
111.00863	2.8
111.04527	0.9
113.02412	1.2
113.06054	1.0
116.05052	41.8
117.05413	1.1
119.05019	2.5
120.81141	0.8
120.99635	4.7
121.02972	1.7
123.04515	27.6
124.04862	0.9
129.05858	1.5
130.06631	14.0
137.02426	2.1
140.72643	0.9
142.06606	12.3
151.03979	1.0
152.01117	2.4
152.91777	1.5
153.01924	15.4
155.03607	0.8
157.07713	2.1
159.09264	9.2
161.04706	1.7
165.05447	1.0
172.00848	0.9
173.04544	12.5
174.04906	1.3
186.05559	1.5
196.95782	2.9
203.08243	100.0
204.08575	4.4
225.06422	59.8
226.06674	4.4
269.05539	1.4
284.26807	4.1
285.06113	7.7
285.08960	3.8
285.27048	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	284.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
69.60947	1.4
69.61359	2.1
72.99301	8.3
79.95737	7.6
80.96496	0.9
94.79775	0.6
96.96031	3.9
114.64116	0.6
116.05058	14.1
117.49932	0.6
128.05061	5.9
130.06619	5.2
132.04552	1.1
142.06616	45.6
143.06958	2.7
144.04570	1.7
155.08205	1.4
155.16228	0.6
158.06104	34.9
159.06432	2.3
172.04024	1.3
176.23160	0.6
177.44342	0.6
186.05603	15.3
187.73256	0.6
191.05481	0.9
195.78255	0.6
204.06645	74.0
205.06943	3.5
207.67271	0.7
210.02278	10.5
211.02591	0.6
222.02278	18.9
238.01714	1.8
263.33087	0.6
283.26413	19.4
284.02328	100.0
284.26776	6.3
285.02649	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	284.1251
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
58.02969	1.4
59.01374	6.5
63.32913	0.9
67.01880	1.2
70.52763	0.9
71.01391	1.7
78.95913	6.8
80.96499	1.4
82.02978	1.7
83.01353	1.2
83.06152	9.8
84.04533	2.8
85.02959	1.6
87.00879	2.0
93.03430	1.5
96.95998	3.9
96.96947	9.0
98.02490	0.9
101.02451	1.6
101.07202	2.2
104.03494	1.2
105.01897	1.1
108.02164	3.9
109.02912	2.3
109.04055	2.6
110.98489	1.3
111.00883	8.6
111.05650	1.7
112.01264	0.9
112.96790	1.2
112.98773	2.2
113.07204	54.4
114.05591	2.7
114.07526	1.1
119.05025	2.0
120.99622	2.5
123.04534	2.4
124.07687	1.3
126.01904	1.2
126.79127	0.9
127.05117	16.7
128.03557	2.6
129.01923	1.5
130.31203	0.9
134.66431	0.9
139.08749	5.8
143.03487	2.0
145.06180	7.2
150.07832	0.9
152.01089	2.1
152.91727	1.3
153.01894	3.3
153.10291	2.3
155.08331	1.1
156.06679	1.7
173.04492	2.8
178.09798	1.2
180.11407	82.0
181.09828	3.2
181.11725	4.9
187.02417	1.5
198.12456	75.3
199.12781	3.5
206.09303	3.8
224.08377	1.3
224.10405	14.1
240.13475	3.5
242.11401	6.0
266.11432	43.0
267.09579	2.0
269.77786	0.9
283.26385	1.5
284.12488	100.0
284.26755	20.2
285.06168	2.8
285.12869	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	283.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83962	0.9
59.01370	8.2
63.38078	0.9
64.70633	1.0
68.99805	2.8
69.80974	2.4
69.81390	3.9
70.49263	1.0
71.01382	3.1
73.01175	8.2
78.45464	1.0
83.01377	4.0
85.02959	1.6
88.40792	1.0
90.33901	0.9
90.98588	100.0
101.02439	3.0
117.00156	10.9
119.05024	9.7
121.02949	27.0
122.03220	1.4
132.99640	4.3
152.27652	0.9
160.99124	17.8
183.04440	1.3
183.66220	1.0
191.03503	2.7
193.16434	1.0
227.03493	20.1
253.06094	1.6
255.02956	18.8
283.02652	2.9
283.10794	7.8
283.26398	28.7
284.03198	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	279.1962
Annotation	Juvenile hormone II
Peak:m/z	Relative Intensity
54.07135	0.6
59.01371	2.7
71.33521	1.3
72.58831	0.6
96.95983	0.8
107.08664	14.1
116.58100	0.7
125.09730	0.7
127.11296	0.7
135.38174	0.6
163.14946	1.2
171.10266	36.2
171.42104	0.6
172.10577	2.2
185.11873	1.1
217.19562	2.9
235.16978	0.8
254.68629	0.9
261.18564	46.4
262.18948	3.7
279.19662	26.1
279.23233	100.0
280.19922	2.4
280.23572	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	279.2324
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01361	0.9
71.38240	0.7
95.80415	0.5
129.25912	0.4
129.58316	0.4
181.13554	0.5
211.05534	0.4
261.22244	0.6
279.23248	100.0
280.23593	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	281.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75867	3.3
59.01383	53.2
71.01382	4.2
79.95731	10.3
80.96503	5.8
83.05019	5.8
85.02937	6.3
87.00860	4.3
93.03467	10.2
101.02444	4.0
109.02928	3.8
111.92918	6.8
112.93736	4.8
115.03982	8.0
119.05025	3.5
121.02975	8.2
127.11267	4.9
137.02425	3.4
138.90849	3.1
157.06543	4.7
159.02985	11.1
161.32097	3.6
173.04488	3.9
176.04756	4.1
187.07672	9.0
191.05591	8.9
201.09477	6.8
201.11311	92.2
209.11801	100.0
227.12883	57.5
245.13919	72.7
245.16376	3.6
249.07635	13.9
281.06473	3.6
281.09830	18.2
281.13950	8.2
281.24802	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01363	1.0
70.89960	0.9
70.90300	0.4
132.92299	0.4
259.20847	0.5
275.20120	0.5
277.21695	100.0
278.22049	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	279.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22926	0.5
56.98016	0.7
57.03437	1.1
59.01372	11.3
60.99290	1.7
67.01886	4.9
69.03463	1.2
70.41872	2.2
71.01363	4.4
72.99282	0.8
78.95902	2.1
81.03440	1.2
85.02930	6.8
87.00861	12.6
87.62894	0.6
89.02419	0.9
93.03448	35.4
94.03777	0.9
96.96000	1.9
96.96960	2.8
98.20546	0.9
99.00861	1.9
101.04305	2.8
103.92062	0.7
105.01925	5.5
110.02465	1.5
111.02007	1.6
111.04514	6.6
112.98779	1.0
115.00345	1.0
117.05576	1.4
122.89382	1.0
127.03987	1.6
129.01906	1.9
130.06522	0.7
137.02426	2.1
142.99847	1.5
149.05396	0.6
149.06378	4.4
155.03470	3.0
161.00940	1.1
173.04524	67.9
173.61653	0.5
174.04851	2.2
191.05585	100.0
192.05919	3.4
204.83714	0.6
233.06653	16.9
243.06149	2.3
246.47050	0.7
261.06149	2.3
268.54245	0.8
271.72971	0.7
279.07175	12.0
279.10727	2.3
279.23297	4.6
294.34109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
59.01375	100.0
60.01711	0.8
71.01381	5.7
71.94742	0.6
72.07553	0.6
73.02960	2.6
79.95734	1.2
83.01390	1.5
85.02941	3.8
89.02426	0.8
89.85467	0.5
96.96008	5.3
97.02940	0.5
99.00880	1.0
101.02422	7.3
113.02467	2.6
120.99670	0.7
121.02959	0.9
123.03285	0.9
136.07713	1.3
138.05634	7.4
140.07191	2.6
147.04587	0.8
155.08212	0.6
159.02985	0.7
161.04604	2.1
164.07173	0.8
235.11832	10.3
277.07608	5.8
277.12198	2.8
277.21698	13.3
278.22128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1807
Annotation	Fenoksan
Peak:m/z	Relative Intensity
51.04908	1.0
59.01377	7.6
61.98824	3.1
64.72810	1.3
70.57484	3.6
71.01411	1.4
88.58093	1.1
96.96065	1.0
121.02953	3.7
134.07382	1.3
134.89445	1.6
146.98050	1.0
151.11258	17.3
152.91760	11.6
165.12814	1.9
194.92728	15.6
194.95543	3.4
195.93272	1.5
205.15999	7.9
207.13850	4.1
212.93842	2.0
233.15378	4.1
233.19087	11.4
259.17001	6.5
276.93231	1.9
277.14673	6.3
277.18054	100.0
277.21661	61.8
278.18500	5.6
278.21912	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92164	0.2
59.01374	1.7
66.53259	0.2
71.01377	0.5
73.91418	0.2
74.11079	0.2
83.05012	0.4
86.18327	0.2
89.99712	0.2
98.19850	0.7
102.88265	0.2
118.16125	0.2
119.43180	0.2
125.56792	0.2
127.07600	0.4
145.06566	0.2
146.86932	0.2
233.22736	0.6
247.74478	0.2
259.20605	0.6
275.20160	0.4
277.21677	100.0
278.18903	0.4
278.22031	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	277.1225
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
57.01711	0.7
58.02969	14.5
59.01375	2.8
59.85160	0.7
60.27835	0.7
66.73320	0.6
71.01382	1.1
71.07011	1.4
74.02457	1.5
85.02927	0.7
87.02739	3.1
97.04061	1.2
99.05633	17.2
101.02480	1.1
101.04316	0.9
102.98615	1.3
103.58320	0.6
106.01203	0.7
116.01759	4.0
129.03813	2.3
131.05350	1.5
133.04440	4.4
133.06923	43.1
134.07196	1.0
143.04607	100.0
144.04961	2.6
147.04868	1.4
252.93922	0.7
277.12238	43.4
277.21686	4.5
278.12631	2.2
289.28177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2013
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.30826	2.9
56.57213	2.6
59.84393	3.3
65.60555	3.4
66.18813	2.8
76.06942	2.8
87.55508	2.8
150.95914	2.7
181.22485	2.8
231.21149	100.0
232.21490	7.5
245.19189	3.6
275.20108	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	276.1239
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
59.01365	3.9
59.16136	1.3
69.26900	10.3
73.23516	1.0
74.49511	0.9
78.95905	1.1
91.05492	1.6
100.07678	1.8
115.37058	1.1
121.02947	1.8
126.90456	1.3
128.06261	1.9
128.07169	32.6
129.07463	1.3
152.91687	5.5
194.92749	10.0
194.95473	1.7
204.13904	1.7
212.93796	1.7
232.13391	100.0
233.13687	6.8
276.12363	3.2
277.14639	1.2
277.18674	2.2
277.21707	22.6
290.81982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77435	0.3
56.80168	0.4
59.01363	1.7
64.31795	0.4
66.80296	0.4
67.01886	0.4
69.39085	1.8
69.39497	1.3
71.01378	1.9
73.02946	2.3
74.16798	0.4
78.95897	43.2
87.00833	0.7
93.03448	2.3
96.96074	4.1
96.96954	100.0
101.04338	0.5
102.98605	1.7
103.04002	5.4
103.92014	0.5
111.04523	0.5
112.04005	0.4
120.99654	2.5
128.03558	0.7
129.03784	1.2
134.11224	0.4
142.99844	0.8
147.04823	2.3
149.54657	0.5
173.04527	7.5
179.01151	0.4
191.05516	0.5
202.57732	0.4
207.63193	0.4
216.90504	0.8
255.25662	0.5
276.98801	3.9
277.09457	0.9
277.12863	0.4
277.21555	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	277.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01370	4.7
67.01882	4.2
69.03457	1.0
71.01379	4.2
71.61816	0.6
73.02943	14.7
78.95896	21.5
81.03488	0.6
83.01362	0.6
83.05020	1.1
85.02950	1.2
87.00889	1.6
89.02433	1.0
93.03451	24.0
94.03796	0.9
96.96063	2.1
96.96954	43.0
98.02476	0.4
99.00869	0.8
101.02444	1.1
102.98586	1.0
103.04005	30.7
104.04369	0.5
108.93776	0.4
109.02939	0.7
111.00893	0.9
111.04507	4.6
113.02446	1.1
115.00394	0.5
115.04021	0.5
120.99619	1.1
121.02965	0.7
127.04017	0.5
129.01930	0.7
129.03810	0.9
134.97055	0.5
136.94023	0.5
137.02441	4.6
137.65022	0.4
147.04845	2.9
149.04543	0.9
155.03510	4.0
173.04530	100.0
174.04852	3.4
178.95004	0.6
189.02191	0.6
191.05612	0.9
198.90544	0.4
216.90613	1.2
234.91760	0.7
235.06409	0.5
239.10373	0.6
276.94199	0.6
276.98770	1.7
277.04767	0.9
277.05835	0.6
277.09274	12.7
277.12390	0.9
277.21680	18.2
278.09512	0.7
278.22043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	38.3
63.52464	2.9
63.59377	2.5
69.45425	7.0
69.45835	15.6
71.01381	47.9
72.67834	2.9
79.95754	3.6
80.02661	6.0
81.03464	12.1
83.05013	8.7
84.02171	4.0
93.03445	5.0
97.02941	24.4
99.00900	5.0
107.05037	4.6
109.06589	100.0
110.03736	6.0
110.06889	4.0
117.03522	3.2
121.02950	3.2
121.06576	9.8
125.09716	5.6
133.02942	12.4
134.03702	39.4
135.04504	3.3
135.08119	15.0
136.05263	6.3
137.02458	6.0
142.02711	9.1
161.09708	5.4
162.03181	6.4
163.11270	47.4
171.10266	6.4
177.01898	4.4
178.02661	12.7
179.10762	3.5
181.12286	15.5
187.02437	3.2
189.09172	5.4
190.99860	8.4
192.95805	8.2
199.13379	8.6
207.10231	96.3
208.10605	6.4
225.11215	20.9
231.10262	9.3
231.13867	3.1
243.12378	6.5
275.09125	25.5
275.15048	8.6
275.20047	3.7
276.06879	6.2
280.28979	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	275.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	26.6
63.86593	3.0
70.62325	2.7
70.76968	6.8
71.01376	51.9
71.05021	5.2
80.02682	6.2
81.03449	9.6
83.05017	10.1
84.02161	5.5
88.51920	3.0
93.03457	4.7
97.02956	21.0
99.00876	3.3
107.05024	4.5
109.06573	81.1
110.03713	5.3
117.03450	10.8
121.06564	6.0
125.09696	4.0
133.02919	7.1
134.03741	43.1
134.14940	3.6
134.83168	3.1
135.04504	14.2
135.08157	9.6
136.05351	5.0
142.02707	8.8
155.10847	3.3
159.08127	4.4
161.09698	8.3
162.03223	13.5
163.11278	44.0
171.10258	12.0
177.01978	3.4
178.02687	9.7
181.12291	19.8
185.11844	4.4
197.11714	4.4
199.13393	3.6
207.10233	100.0
207.93538	3.0
208.10585	6.4
225.11287	26.2
231.10219	5.6
239.65778	3.2
243.12349	8.9
275.09216	41.3
275.15082	6.0
276.09448	4.0
278.50806	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	275.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79909	0.3
59.01376	1.3
69.03467	0.3
69.71896	0.5
69.72308	1.0
71.01373	0.5
81.03440	0.2
83.01459	0.3
83.05016	0.7
84.76969	0.2
85.02937	0.5
87.00884	0.5
93.03462	1.7
96.95981	0.4
101.06074	100.0
102.06397	2.1
102.98577	0.3
111.04526	1.7
111.08565	0.3
113.02451	0.4
120.99654	0.5
127.03988	0.6
133.02910	0.3
135.01167	0.5
135.04497	0.6
137.02452	0.6
142.87140	0.3
147.15135	0.3
155.03452	1.5
161.02457	0.4
166.63684	0.3
173.04538	2.9
191.05641	1.3
192.95868	0.8
215.09157	0.3
275.11325	7.3
276.11716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
60.99294	0.2
63.23611	0.2
71.01376	0.8
73.02956	0.4
81.03519	0.2
83.05017	0.7
85.02966	0.3
87.00890	0.4
88.04035	0.3
93.03456	1.7
96.33730	0.2
96.95995	0.4
101.06078	100.0
102.06403	1.5
111.04504	1.7
135.01225	0.6
137.02492	0.3
155.03529	1.7
161.02336	0.2
173.04555	2.4
177.01964	0.3
191.05617	0.6
192.95903	0.6
209.75577	0.2
218.29973	0.2
231.12213	0.4
274.98825	0.3
275.06424	0.3
275.11371	7.2
275.14511	0.5
276.49817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0923
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
57.11603	0.4
58.44368	0.4
59.01365	0.7
70.65598	0.4
79.71769	0.4
85.02940	0.6
90.01965	0.4
109.84342	0.4
113.21857	0.4
130.04248	1.1
133.02925	1.0
134.03734	1.5
135.04491	0.7
146.03711	1.4
151.07651	0.7
158.03703	2.4
159.04504	4.4
159.08151	0.7
172.05295	12.1
173.06073	8.1
174.03271	0.7
174.06699	0.7
184.05194	0.5
187.04144	5.5
187.07626	100.0
188.07976	5.8
201.05557	10.7
202.06328	18.6
203.06776	1.2
203.10675	0.7
204.04173	2.3
213.09200	3.7
215.07152	0.8
216.07864	1.3
231.10237	23.8
232.10579	1.7
275.09268	5.9
299.15372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
59.01372	1.3
59.55305	0.3
60.99292	0.7
62.83066	0.4
67.01883	4.1
69.03443	0.7
69.71699	0.8
69.72113	1.3
71.01363	2.4
76.28822	0.4
81.03429	0.6
83.05016	1.1
93.03447	26.2
94.03778	0.8
101.06071	36.7
102.06389	0.7
109.02950	0.8
110.88564	0.4
111.00867	0.9
111.04517	5.2
127.04001	0.5
137.02435	5.8
155.03500	5.0
173.04527	100.0
174.04855	2.7
250.15694	0.4
271.21567	0.4
275.11334	14.5
276.11697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16385	0.5
59.01361	2.2
64.11697	0.5
74.54884	0.5
83.01396	1.0
88.52570	0.8
94.72032	0.6
96.21595	0.6
107.05089	0.5
110.17532	0.6
121.59724	0.5
139.11305	0.7
163.11209	0.7
165.12799	1.0
176.01103	4.9
191.10773	1.1
209.11797	3.0
241.14386	2.4
251.06851	0.6
273.17038	100.0
274.17413	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	275.0924
Annotation	Notoserolide D
Peak:m/z	Relative Intensity
50.05029	1.5
57.03431	2.0
59.01360	5.3
64.86454	1.9
71.63292	1.6
77.03960	2.4
89.03950	2.3
95.05040	4.6
97.06551	1.6
103.15866	1.5
105.03459	10.8
115.07547	1.5
116.90565	1.5
116.92809	2.3
117.03473	6.0
121.02926	4.4
123.04510	2.8
133.02948	42.0
134.03740	63.9
135.04555	14.2
137.02423	24.0
139.04002	7.4
145.06570	1.6
149.02422	1.9
150.03206	4.0
161.02446	2.7
162.03258	8.4
163.88370	1.9
166.96175	1.8
177.01973	8.2
178.02707	100.0
179.03105	5.0
187.07674	1.7
192.95807	8.7
231.10243	36.3
275.06546	2.7
275.09283	45.1
275.20001	2.2
276.09531	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	273.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17736	0.9
51.53571	0.7
59.01374	11.2
69.39551	7.3
71.01386	3.0
72.99308	1.5
73.02950	0.8
83.01387	1.7
85.02926	0.9
89.02429	1.3
89.50813	0.8
93.03465	1.1
96.96037	0.8
101.02413	0.8
107.01390	0.8
113.45419	0.7
122.97561	1.2
133.05794	1.9
135.06644	1.9
140.06609	1.8
141.09361	0.8
141.30547	0.8
151.00386	1.5
151.11256	2.2
153.44611	0.9
161.09785	1.2
162.10051	0.7
169.12329	98.9
170.12650	4.5
187.11270	2.2
197.11824	21.2
201.01833	1.0
211.13461	0.9
213.11409	1.4
223.13373	2.1
229.04962	1.0
229.12259	1.6
241.10797	100.0
242.11105	5.8
245.04463	2.2
249.11192	0.9
267.12360	1.0
273.03818	2.1
273.07520	1.9
273.13354	2.3
291.12299	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	273.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07316	0.4
62.25031	0.4
65.68100	0.4
70.66095	0.3
71.01364	0.8
81.03426	0.8
82.48917	0.4
83.01382	4.1
83.05026	0.6
84.02158	2.0
89.12119	0.5
93.03445	0.5
95.04977	0.3
97.02959	0.7
125.09706	4.8
127.11267	1.6
147.11780	0.6
163.11278	1.3
165.12814	1.3
168.66298	0.4
171.10281	4.5
173.04594	0.6
182.13135	0.8
191.10760	2.4
196.95348	0.3
197.11723	0.4
207.10173	0.4
209.11826	4.8
211.13518	0.7
223.13339	0.8
226.12048	1.5
239.12900	0.4
241.14386	1.3
243.15976	1.1
258.60114	0.9
273.17050	100.0
274.17404	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	273.0767
Annotation	fusarubinaldehyde
Peak:m/z	Relative Intensity
56.56810	0.5
56.80062	0.6
58.90187	0.6
59.01371	1.3
61.90821	0.7
78.96788	0.6
89.03974	1.7
93.03434	0.7
104.02679	1.0
107.04942	0.6
112.73351	0.5
118.04243	3.5
121.02965	0.6
130.04153	0.6
134.03738	0.8
134.29233	0.6
148.01649	3.8
160.01694	0.7
161.02414	10.4
162.03120	1.7
165.03462	0.5
173.02423	2.3
173.09673	1.1
174.03252	4.7
176.01122	12.7
177.01585	0.7
189.01932	4.8
190.02693	16.5
191.03264	0.7
201.01915	28.4
202.02689	10.3
211.03893	0.9
214.02660	0.9
215.03481	22.2
216.00716	4.8
216.04211	17.2
217.04877	1.6
222.01729	1.2
227.07159	0.8
229.05034	4.3
229.08537	0.9
229.14369	1.0
237.14967	2.0
244.03896	0.7
245.08154	98.7
246.08546	5.7
255.16180	0.7
270.19122	0.7
273.07657	100.0
274.07974	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	273.0767
Annotation	fusarubinaldehyde
Peak:m/z	Relative Intensity
59.01376	1.1
69.44720	3.4
71.01386	0.7
73.62959	0.4
89.03972	2.0
100.24522	0.5
117.03444	0.6
118.04252	2.9
130.04245	0.8
134.03741	0.5
148.01649	3.9
160.01665	0.6
161.02437	11.3
162.03268	2.2
171.04417	0.5
173.02434	2.4
173.09708	0.7
174.03204	3.7
175.03893	0.6
176.01132	12.3
177.01793	0.5
186.64232	0.5
187.03995	1.0
188.04857	0.5
189.01898	4.6
190.02693	17.7
191.03203	1.4
191.05661	0.4
198.03275	0.7
199.04037	0.6
201.01918	27.6
202.02673	11.2
203.07089	0.6
205.01489	0.8
211.03912	0.7
214.02592	0.7
215.03484	24.6
216.00752	4.7
216.04224	16.3
217.04652	0.9
218.02077	0.5
218.80788	0.5
222.01711	1.6
227.07040	0.7
229.04988	1.6
230.05362	0.6
244.03664	0.7
245.08162	100.0
246.08519	5.4
255.06497	0.7
273.07660	91.8
274.08005	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	273.038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13998	7.7
59.01374	29.8
70.14729	25.6
70.15128	15.5
71.01382	28.7
75.56882	8.3
78.95898	61.3
85.02949	19.7
87.00867	24.9
87.36882	8.2
88.98788	45.0
92.95755	7.9
96.96941	15.3
99.00900	40.1
101.02418	7.9
110.98536	50.1
111.00877	30.9
112.98786	74.9
115.00379	26.3
117.01955	9.9
125.00951	28.8
126.98875	17.7
129.01945	21.3
130.08731	100.0
131.09109	27.0
132.05450	8.3
137.04729	7.9
147.02975	13.1
155.04347	8.5
168.99933	69.2
173.00940	27.4
174.96576	8.6
191.02177	8.9
199.00739	12.7
205.03424	12.2
236.96347	9.5
241.01143	21.6
273.03827	90.2
273.10034	58.9
274.09686	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	273.0381
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
61.60590	0.4
66.61136	0.4
70.32212	0.7
76.37753	0.4
77.28912	0.4
78.36047	0.4
78.95898	68.5
85.02972	0.5
87.25585	0.4
96.96963	3.6
110.98524	55.2
112.92291	0.7
128.89218	7.9
129.89302	1.8
130.88922	63.3
131.88985	2.5
138.68700	0.4
152.93668	0.8
154.90614	17.9
154.91896	0.9
154.93349	1.8
155.90691	1.0
182.46701	0.4
210.92644	0.7
228.88348	0.8
230.87286	9.7
231.87215	1.4
241.01167	17.9
242.01518	0.9
254.79175	0.4
254.91678	1.0
272.87378	6.2
273.03787	100.0
273.87534	0.6
274.04202	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	271.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	3.1
59.01372	12.9
69.03448	1.8
70.62596	0.7
70.62939	2.5
71.01388	1.6
71.05013	2.8
73.02936	3.0
81.03449	1.1
83.05014	2.5
84.02169	1.2
85.02953	1.6
93.03490	1.4
95.01395	1.0
95.05014	1.1
97.06583	9.0
98.19940	1.1
99.08154	1.6
101.06043	1.0
107.62760	0.9
108.02149	1.7
109.02940	1.9
109.06562	2.3
111.04501	1.0
111.08151	24.1
113.06096	6.9
115.04000	1.9
121.06587	3.1
123.08135	1.3
125.02424	1.0
125.06037	1.5
125.09703	4.0
127.07629	3.0
135.08122	4.2
137.06081	2.3
139.07645	6.6
141.05595	8.2
141.09267	1.1
143.04933	1.0
143.07109	2.9
151.07690	0.8
155.05023	0.9
155.07114	10.4
165.12848	1.8
171.04480	3.4
173.13342	2.0
174.01694	1.9
175.04063	1.0
181.12329	1.4
183.04503	1.1
183.13818	1.0
185.72565	1.0
191.10826	1.5
191.14291	1.0
197.06247	0.8
198.03336	0.8
199.04001	5.8
199.13319	1.1
203.03511	1.7
209.11819	4.4
212.12894	2.4
213.05562	2.6
215.03481	4.4
225.05498	0.9
226.02647	1.0
227.03441	6.9
227.12862	33.8
228.13251	2.1
229.01399	1.4
230.14037	2.0
241.01491	0.9
241.04985	5.5
242.01878	2.5
243.02960	8.7
253.14420	2.8
256.07245	3.9
271.02454	100.0
271.09451	1.8
271.11911	13.9
271.15488	68.6
271.22491	3.1
272.02890	8.1
272.12387	1.2
272.15802	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11540	1.0
56.94105	0.9
59.01379	5.0
62.40734	0.9
64.80097	0.8
68.13672	0.9
69.70132	5.7
71.01385	3.4
71.55059	0.9
72.99304	1.3
73.26244	0.9
75.34064	0.9
81.03445	1.1
83.01365	3.0
83.05009	1.3
89.02399	1.4
92.51821	0.9
93.03471	1.3
99.00881	3.7
108.02180	2.1
109.02921	1.0
109.06545	2.8
111.00884	2.1
111.04520	1.0
112.98799	7.2
115.00379	2.1
123.08134	1.3
125.06075	1.0
125.09726	2.6
137.06046	1.5
142.99829	3.8
149.06126	1.1
153.05592	2.7
153.63834	0.9
165.05502	1.0
167.07129	1.1
174.01682	100.0
175.02129	3.1
186.05478	0.9
193.05022	3.5
227.12779	5.1
271.02469	1.1
271.08032	2.5
271.10849	2.3
271.15503	15.2
271.22717	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.9
66.50184	0.9
69.67687	5.2
71.01377	3.1
72.99271	1.5
78.17219	1.3
83.01383	2.3
87.00870	1.4
93.03382	0.9
98.19871	1.9
99.00880	2.9
104.02650	1.2
109.02991	1.2
109.06551	2.3
111.00844	1.4
112.98814	6.5
139.03879	1.0
142.99846	4.4
143.04588	1.2
145.01413	1.0
148.01648	2.5
149.06044	1.0
153.05533	3.9
167.07097	1.2
169.12370	1.0
173.00880	2.6
174.01674	100.0
175.02127	3.4
176.01115	20.8
177.01430	1.1
191.03474	25.2
192.03802	1.6
193.05051	2.9
270.99167	3.7
271.11835	0.8
271.15463	2.4
271.22644	2.7
294.21643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02843	0.4
59.01359	0.5
70.06198	1.9
71.01381	4.9
74.99125	0.5
76.97330	0.4
78.91870	0.5
78.95900	40.5
87.00854	0.6
90.68261	0.4
92.17156	0.4
96.96955	100.0
99.00872	1.9
112.98805	1.1
116.18429	0.4
124.98790	3.7
137.88135	0.5
139.87756	0.5
140.98270	0.7
142.99849	43.1
144.00162	1.3
155.77687	0.5
173.00897	19.3
174.01215	0.8
197.11526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0607
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.03433	0.6
59.01372	4.0
63.02390	8.0
65.00320	14.4
68.99814	0.6
69.58591	2.6
71.01373	2.0
81.03445	0.9
83.01378	8.9
83.05054	0.6
93.03452	13.2
94.03778	0.4
98.20630	0.4
107.01379	24.1
108.02177	1.2
109.02914	1.0
111.04507	1.3
111.08140	0.6
115.03957	0.5
115.74233	0.4
119.05014	67.8
120.05342	1.5
121.02966	0.9
123.04483	0.5
125.02431	1.8
129.08092	0.4
137.02422	0.5
139.07610	1.0
143.05006	1.1
145.02934	0.9
151.00352	58.8
152.00670	1.5
156.05711	0.5
161.06032	1.1
165.01938	3.7
169.01392	2.9
171.04471	0.4
173.04526	0.6
177.01915	7.8
178.02225	0.4
181.12315	0.6
182.55623	0.4
183.08397	0.4
185.05995	0.7
187.04010	2.6
211.13449	0.6
227.07068	2.2
229.04996	0.8
243.02913	0.8
253.04913	0.6
253.14348	2.1
268.73343	0.4
271.02802	4.5
271.06073	100.0
271.15460	7.3
271.22824	2.9
272.06439	6.3
272.09363	0.7
279.32684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82264	0.4
60.99272	0.5
69.20975	0.4
69.63516	2.1
69.63924	0.8
75.67095	0.4
81.51685	0.5
86.36753	0.4
92.73783	0.4
104.05983	0.4
113.60461	0.4
153.71579	0.4
181.06567	8.2
209.06050	38.4
210.06366	2.2
225.05521	1.0
227.07108	100.0
228.07454	5.0
239.03430	0.7
253.05011	6.1
256.03662	1.2
271.06076	37.6
271.15466	0.8
271.22696	1.0
272.06439	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	269.1757
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
59.01372	2.9
61.98800	1.3
67.98399	1.0
69.29756	9.1
69.67728	1.1
71.01372	1.5
76.60376	1.1
87.00874	1.7
89.02459	1.0
92.11865	1.2
94.56652	1.1
97.06549	2.0
98.20692	1.9
99.08198	1.7
113.09738	1.7
115.07632	1.7
117.02590	0.9
120.81610	1.2
121.02982	0.9
125.09710	5.2
135.08128	1.3
141.09207	2.7
151.07611	2.0
152.91739	1.2
153.09189	2.7
171.10248	2.8
171.71458	1.1
181.16011	1.4
186.95602	3.1
189.49316	0.9
199.09596	1.2
200.10564	2.5
207.17506	3.4
223.16966	1.5
225.18637	1.2
232.87326	1.3
251.16505	8.2
252.16342	1.1
269.17560	100.0
269.21045	8.8
269.24857	4.4
270.17972	5.2
270.20724	1.0
280.93207	1.1
288.56171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65477	0.9
54.71161	0.9
57.03436	2.9
59.01375	100.0
63.77393	0.9
83.31019	0.9
86.38673	1.0
87.00868	1.8
89.02515	1.1
97.06526	1.2
99.04494	3.9
109.06546	1.2
125.65710	1.0
139.03873	6.3
139.04805	0.9
165.12831	10.4
189.12878	1.6
207.13866	19.8
208.14430	1.2
209.11827	23.5
225.14932	13.1
226.15297	1.3
227.05330	1.4
251.12912	12.2
269.13907	91.5
269.21194	7.0
269.24771	2.9
270.14279	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	269.1062
Annotation	Chloroprocaine
Peak:m/z	Relative Intensity
59.01364	0.2
61.14546	0.2
65.91577	0.2
66.27331	0.2
69.45208	1.9
79.40396	0.2
79.95707	1.4
96.96005	100.0
114.05601	4.6
154.08778	1.1
158.92677	0.2
181.03258	0.3
219.50583	0.2
225.16060	0.6
269.10617	96.9
270.10959	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	269.1291
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01368	1.6
62.96412	1.2
67.59643	0.5
69.85564	2.8
74.02408	0.5
74.22498	0.5
87.00822	0.5
89.02457	0.5
94.02959	0.8
120.04545	3.2
132.04408	0.7
136.07642	0.8
149.30444	0.5
166.28229	0.6
186.95583	2.3
191.83533	0.5
211.08702	2.4
225.06746	0.9
225.10236	3.9
226.12477	0.8
239.08231	2.5
239.11838	0.7
240.08809	0.7
241.13437	3.8
251.11728	0.8
253.09850	2.4
254.10548	7.7
269.12924	100.0
269.21164	5.5
269.24698	2.2
270.13272	7.1
286.09589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	10.7
57.03447	8.2
58.00590	2.0
59.01374	53.5
69.58771	1.8
69.59079	7.2
70.88652	1.1
71.01379	100.0
72.01724	1.2
72.99308	3.7
73.02940	37.8
75.00882	2.0
83.01379	18.2
85.02947	48.9
85.42199	1.0
87.00874	4.0
87.13459	0.9
89.02414	5.3
89.84839	0.9
95.01375	6.2
97.02953	2.2
99.00881	14.2
101.02436	76.1
107.05028	2.0
113.02438	38.3
125.02419	1.1
129.01920	2.6
143.03496	4.0
159.03003	10.1
161.04541	36.4
165.00131	4.6
166.00954	5.6
180.25420	1.1
181.03285	8.5
197.11781	2.1
269.10367	9.8
269.21133	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	267.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.7
61.98820	0.8
69.43661	5.1
71.01373	1.8
96.96012	1.0
98.20688	1.2
102.98595	1.8
111.65398	0.7
120.26147	0.8
121.02940	1.0
122.01913	1.6
126.74622	0.7
137.04297	100.0
138.04634	3.0
140.50237	0.7
153.02048	0.7
163.05885	0.8
179.03471	0.9
207.04784	7.4
225.05894	20.9
226.06186	0.8
267.06808	2.6
267.12387	1.7
267.15994	2.9
267.19641	1.1
267.23157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0905
Annotation	moclobemide
Peak:m/z	Relative Intensity
59.01389	0.7
69.55045	3.3
79.95746	1.5
96.96004	100.0
97.79701	0.5
97.95924	0.7
130.17870	0.5
148.15971	0.5
176.04613	0.7
207.98346	0.8
223.00626	0.6
249.07477	0.6
267.09042	91.1
268.09348	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	267.1235
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
55.82701	0.6
57.03434	3.7
59.01373	100.0
71.01389	1.1
71.05029	1.9
71.62505	0.8
83.05031	1.5
85.02959	1.0
87.00883	1.8
108.02171	0.8
121.03032	0.7
135.11673	0.7
152.01207	0.7
161.09673	1.1
161.13367	2.4
187.11235	0.8
205.12178	1.3
207.10289	2.5
223.13367	51.5
224.13722	3.1
224.62999	0.7
267.12418	7.2
267.15781	0.9
267.23190	1.4
268.06873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03449	1.1
59.01372	6.8
70.25592	0.6
71.01390	1.1
78.00842	0.7
85.06548	1.0
86.19186	0.7
87.00887	0.8
89.02430	0.8
96.96024	1.1
101.02402	1.5
121.02944	1.6
125.09708	1.6
143.07103	2.4
171.10269	15.3
172.10661	0.8
188.38539	0.7
195.13893	8.2
209.04459	1.1
249.18582	24.5
250.18921	1.7
267.19614	100.0
268.19940	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	266.0893
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.66238	0.1
59.01363	0.3
61.98839	0.1
65.19762	0.1
69.93590	0.5
76.21468	0.1
77.28502	0.1
79.24741	0.1
85.02927	0.1
92.02532	1.4
96.96017	0.1
101.12330	0.1
107.02901	0.3
107.03629	4.8
108.04010	0.1
130.08710	0.2
134.04720	100.0
135.05191	1.4
138.70844	0.1
148.06300	0.1
181.36395	0.1
198.56033	0.1
223.31810	0.1
266.08926	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	266.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.0
60.01727	0.6
61.57668	0.6
71.01389	4.7
73.02929	0.8
78.95902	3.4
79.22514	0.6
85.02943	4.4
86.02462	0.6
87.00855	1.6
88.31248	0.7
89.02438	1.9
92.02533	0.9
96.95998	5.5
96.96986	2.3
99.00860	1.0
101.02428	1.2
109.37572	0.6
111.00809	0.7
113.02447	4.3
120.95444	0.9
125.02397	0.6
127.03992	1.0
130.08731	100.0
131.09065	2.5
132.06190	0.6
134.03746	1.3
134.04716	6.6
135.03123	14.3
136.05228	0.7
136.93959	0.6
144.25548	0.7
153.01907	0.7
164.92020	0.7
168.01564	1.0
171.02997	1.1
171.32118	0.6
186.02577	1.1
229.97304	0.7
247.98029	2.9
265.98834	3.1
266.02933	2.7
266.09579	2.2
267.07275	11.4
267.09863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34740	1.8
59.01086	3.4
59.01373	44.9
60.15780	1.4
64.80435	1.6
70.20222	6.6
72.62753	1.6
73.94267	1.5
78.95898	3.5
83.05030	1.7
95.04996	3.7
96.95989	7.0
97.06577	11.4
99.08128	2.2
101.02443	2.5
112.98539	2.5
113.09647	1.7
121.10226	44.8
125.06096	3.4
137.02435	2.0
143.07126	70.3
149.09669	4.2
157.08731	2.8
164.73109	1.7
167.10802	13.4
183.44955	1.8
195.10268	3.6
203.17996	12.7
206.62183	1.9
243.32339	1.8
247.13196	2.8
247.17010	67.6
248.17361	5.7
255.63394	1.7
265.14786	8.6
265.18048	100.0
266.18341	7.3
280.74426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2169
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
54.63366	0.6
59.01370	7.9
69.61827	4.2
71.01375	0.6
96.96004	18.9
125.00677	0.6
265.14816	17.0
265.21683	100.0
266.15149	0.9
266.22028	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	265.1806
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03415	1.9
59.01096	2.0
59.01378	38.9
66.06222	1.3
66.13488	1.3
67.59764	1.2
69.90336	6.1
71.01379	2.6
85.48775	1.4
93.07092	13.2
96.96001	4.2
105.08974	1.4
121.06577	2.0
125.09710	3.7
127.11205	2.1
134.04756	1.7
149.13321	4.0
164.10789	1.3
171.10255	84.5
172.10556	2.6
185.11807	6.5
197.11694	1.8
203.17998	9.6
230.70529	1.4
247.17001	100.0
248.17325	7.5
265.14752	5.5
265.18048	98.5
266.18344	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	265.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.7
57.44579	2.8
59.01094	3.2
59.01377	62.3
63.46226	2.5
70.47967	8.3
70.48328	3.6
71.01356	7.6
78.95894	8.1
82.53757	2.6
85.02963	4.6
95.31255	2.8
96.96023	9.6
97.06593	5.8
118.69662	2.6
121.10237	19.8
139.07684	3.0
143.07143	47.9
152.62538	2.9
193.16075	3.8
203.18002	8.2
221.19125	3.6
247.16978	48.2
265.07147	5.6
265.14648	16.3
265.18036	100.0
266.18381	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34887	0.4
58.33016	0.3
59.01358	0.4
65.59814	0.3
67.09553	0.3
71.08232	0.4
71.08561	0.5
71.46187	0.3
79.95712	2.3
86.98675	0.3
92.51280	0.3
95.95224	0.5
96.96003	100.0
97.95886	0.5
150.75934	0.3
157.13141	0.3
159.72575	0.3
184.18784	0.3
262.55807	0.4
265.14749	83.5
266.15039	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	265.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
59.41854	0.3
64.75292	0.2
70.63774	0.6
79.95709	1.8
82.28278	0.3
95.95232	0.5
96.96001	100.0
101.02417	0.3
107.69316	0.3
161.04326	0.3
265.14740	83.4
266.15042	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	265.1805
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
57.03426	4.8
59.01377	28.8
59.64032	1.1
61.40916	1.1
61.98832	1.6
67.20612	1.0
71.01381	2.3
71.62914	1.4
71.63312	1.4
75.86868	1.1
85.02966	1.3
87.13757	1.2
95.05026	2.3
96.96017	7.5
97.06583	16.1
98.44739	1.3
101.02476	1.5
101.05984	1.3
113.09722	8.2
123.08195	1.0
139.07628	2.7
149.09712	3.9
157.08679	11.4
169.08694	4.3
199.40193	1.1
221.19147	1.9
247.16916	3.6
265.14813	6.6
265.18033	100.0
266.18402	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	265.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.3
55.87016	1.1
57.03425	4.2
58.00575	3.0
59.01375	70.5
59.83610	1.1
60.01733	1.3
66.41644	1.1
67.11801	1.1
70.72427	1.8
70.72772	2.6
71.01376	100.0
71.05020	1.4
72.99281	5.0
73.02943	30.9
73.04056	9.2
74.39292	1.5
75.00876	2.4
81.03452	1.3
83.01385	17.0
85.02943	78.4
87.00861	9.7
89.02436	14.5
93.03447	36.7
95.01377	8.3
96.96000	24.5
97.02950	2.5
98.95571	3.3
99.00866	13.8
101.02437	79.8
101.06057	3.3
103.07605	1.7
109.02961	1.4
113.01687	2.3
113.02440	38.1
119.03466	3.5
120.99612	2.3
125.02394	2.3
127.03973	4.2
129.01942	1.2
129.05553	4.1
134.04686	1.9
135.04739	2.3
136.01648	1.8
137.02431	42.6
137.03482	2.1
143.03439	3.7
143.07100	1.4
144.48999	1.2
147.04489	3.3
150.04219	2.2
151.04425	1.8
159.02934	8.2
161.03206	2.7
161.04533	47.8
162.04866	1.5
164.07108	4.4
177.05812	2.0
179.03499	3.4
186.89890	1.7
191.03535	1.3
201.53555	1.3
205.03453	1.4
221.09242	8.7
234.05550	1.3
265.07178	73.1
265.12900	29.6
266.07474	5.0
266.12869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09727	0.9
50.72930	1.0
52.88144	0.9
56.71193	1.0
59.01376	15.6
71.01368	5.1
73.02930	1.9
79.95710	1.1
82.02950	1.8
85.02950	6.0
87.00882	9.0
93.03445	2.9
96.96022	3.6
98.02477	2.4
99.08150	6.8
101.02406	6.0
101.27967	1.1
108.37465	1.1
113.02474	2.8
120.58904	1.0
120.99641	45.2
133.06877	1.3
137.02454	2.2
143.07115	13.8
147.04494	1.7
159.02979	1.2
159.04724	3.8
161.04565	2.1
161.06033	1.3
177.05879	70.5
178.06180	1.3
178.08687	3.5
186.89845	1.7
259.19000	1.1
265.07474	100.0
266.07684	4.2
266.10416	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	265.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82114	0.5
55.01868	1.0
57.81256	0.6
58.99607	3.7
59.01375	20.7
61.01164	1.0
61.98825	0.6
62.10643	0.5
71.01377	11.0
71.27934	0.5
71.28324	1.6
72.99302	0.8
73.02945	5.8
83.01387	1.9
85.02943	14.2
87.00871	10.1
87.04506	1.7
89.00681	2.2
89.02455	1.6
93.03451	10.5
95.01418	0.8
96.96008	6.8
99.00896	1.2
99.04506	0.7
101.02437	9.5
102.98610	1.0
107.05099	0.6
109.02888	0.8
113.02451	3.9
113.85196	0.5
114.58217	0.5
117.03809	1.0
119.03513	1.0
120.99644	2.8
123.73669	0.5
127.03985	0.9
129.01941	0.7
130.08760	0.7
133.03278	1.6
134.04729	2.3
135.04852	100.0
136.05183	2.3
137.02441	11.0
143.03502	0.8
150.04236	1.3
151.03943	1.1
159.02982	1.1
161.04556	4.7
177.01738	0.6
177.05821	1.6
179.03580	0.9
186.90004	1.0
205.05389	5.4
223.06439	18.0
265.07297	31.3
265.12793	4.4
265.21713	0.5
266.07559	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	263.2012
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.43061	0.4
59.01371	4.9
68.21699	0.4
70.94232	0.5
70.94577	0.6
71.01354	0.9
98.19733	0.3
114.74847	0.4
219.21281	0.8
245.19333	0.5
261.18311	0.5
263.20108	100.0
264.20459	8.0
271.24011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0715
Annotation	Luisol B
Peak:m/z	Relative Intensity
57.03445	0.7
59.01371	8.0
59.06414	0.5
62.97564	0.5
71.01349	0.9
71.61038	0.7
81.03453	1.7
84.77186	0.5
85.02945	59.3
85.09568	0.6
86.03276	1.0
87.00871	7.1
93.03451	58.5
94.03764	1.3
95.01370	0.8
96.95957	0.9
99.04479	1.3
107.04986	0.7
108.02151	0.6
109.02934	1.6
121.02940	1.6
127.04021	8.5
129.05554	1.3
133.06537	0.6
135.04494	2.4
136.01645	2.7
137.02435	65.5
138.02763	1.8
149.02448	1.5
151.03970	3.3
177.05521	1.6
179.03473	6.2
209.82614	0.6
253.46616	0.5
265.07144	100.0
266.07489	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	265.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26238	0.5
52.94567	0.5
59.01371	2.3
60.46710	0.5
65.70166	0.5
69.94054	2.6
81.84937	0.5
84.40479	0.5
93.03432	0.8
99.04510	10.8
108.14214	0.6
115.04000	4.0
121.02947	49.7
122.03294	1.8
139.94324	0.5
143.03491	100.0
144.03842	2.1
161.02367	1.0
162.02879	0.6
173.04489	0.8
174.04996	0.8
265.07132	4.8
265.14328	0.8
272.20123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1498
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	10.2
57.03455	7.0
58.00566	1.5
59.01376	84.2
61.66190	1.2
69.42953	9.4
71.01379	80.5
72.99300	5.5
73.02941	34.8
83.01391	23.6
85.02950	43.9
86.00083	4.6
87.00873	5.7
89.02444	7.9
95.01395	5.3
97.02923	2.4
98.74019	1.1
99.00890	15.0
99.08156	2.3
101.02438	100.0
101.09694	2.3
101.75809	1.3
102.02766	2.0
102.57890	1.4
111.00856	2.6
111.04468	1.3
113.01680	2.7
113.02437	35.9
125.02406	2.6
129.01913	1.4
131.03587	1.4
133.06888	2.5
143.03467	3.8
149.04166	1.4
159.02988	8.3
161.04555	25.9
161.78644	1.4
193.03149	2.9
205.03413	1.3
263.12585	2.9
263.14978	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	263.1287
Annotation	Abscisate
Peak:m/z	Relative Intensity
51.01787	2.1
51.70504	2.6
57.03427	3.7
59.01375	62.4
61.49455	2.1
65.49115	2.4
71.01371	8.8
71.05013	2.3
71.63425	4.2
73.02916	4.1
80.47974	1.9
83.05034	4.0
85.02936	2.6
91.18801	2.5
91.87023	2.1
93.03464	2.7
95.05008	3.3
97.02947	8.0
99.04504	2.6
105.07053	3.5
108.05787	6.2
109.02937	6.5
109.06554	3.9
111.04516	13.4
113.02494	2.6
113.06094	12.9
114.24956	2.3
119.08650	3.4
121.06609	3.5
122.03730	12.4
123.08154	10.8
125.06087	19.0
133.06886	4.5
135.08060	2.5
136.05264	18.9
137.06065	8.4
138.06876	19.2
139.07649	46.3
144.93100	2.4
147.08139	2.2
148.05241	13.3
149.06085	3.1
151.00404	4.8
151.07634	84.8
152.04758	7.3
152.08415	51.0
153.09200	14.8
159.11771	5.6
161.09689	9.9
163.07610	14.3
164.19914	2.0
167.07172	5.2
171.08272	2.3
175.11240	4.3
177.12991	2.4
185.09755	3.0
186.10425	2.7
189.09193	6.9
201.12834	35.5
203.10750	28.0
204.11523	82.0
205.11769	3.5
209.11739	4.0
219.13872	100.0
220.14236	8.5
245.11946	2.5
263.10153	3.0
263.12863	15.1
263.16220	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	261.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.2
59.01377	53.8
60.99303	2.9
67.01882	3.9
69.03452	6.3
69.50108	2.3
71.01395	3.6
71.05029	3.9
71.62321	4.4
73.02948	5.4
77.77282	2.7
79.95730	3.3
81.03429	2.5
83.05025	5.3
84.51478	2.3
85.02953	5.7
87.00888	9.9
87.04512	25.4
93.03445	38.8
94.03786	4.0
96.96046	3.9
99.00875	2.6
99.04530	18.5
111.04507	10.0
111.08086	2.9
115.07664	3.5
117.70378	2.3
123.08125	4.4
125.09734	5.7
131.01677	3.2
131.05336	5.7
149.06099	13.9
151.07672	5.0
158.06090	13.5
173.04529	18.2
173.11754	6.2
174.05550	3.5
181.08699	10.6
201.11296	19.8
202.05077	7.6
218.44865	2.6
219.12357	100.0
220.12813	3.4
261.04315	24.6
261.07080	3.1
261.09775	41.3
261.13397	32.1
264.52258	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99604	0.4
59.01375	5.5
62.90504	0.4
65.50195	0.4
68.99810	1.9
69.77317	2.2
71.01357	0.4
73.01164	5.9
83.01376	1.3
85.60854	0.4
87.00874	10.8
90.98589	100.0
91.98944	0.7
93.13372	0.4
99.08150	3.0
101.06076	11.5
117.00152	7.2
132.99657	0.8
133.06909	2.8
135.01199	1.2
139.41951	0.4
160.01595	0.9
160.99132	12.9
171.06624	3.6
175.03996	1.0
179.00185	1.8
203.07361	0.6
219.02817	0.5
263.05917	3.2
263.09286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33389	0.3
57.03447	3.9
58.02972	2.3
59.01375	37.7
63.67984	0.3
69.03445	1.0
71.01385	0.8
71.05016	1.1
71.62488	0.4
73.02937	1.0
74.02465	1.6
79.95713	0.3
83.05049	0.4
85.02926	0.4
85.06565	0.3
86.06125	0.4
87.04499	1.4
89.32146	0.3
92.05035	0.4
95.05029	0.4
96.95998	3.3
97.06577	1.0
98.02479	0.4
99.00859	0.3
99.08147	0.5
101.02432	0.3
101.06020	0.3
107.08615	0.5
109.06599	1.6
111.08152	3.1
115.05465	0.5
115.07655	0.3
116.03487	0.7
120.99651	0.3
123.08170	0.9
125.06083	0.5
125.09716	5.9
127.07607	1.2
128.03519	0.6
130.06618	0.7
131.03786	3.1
131.05350	4.2
132.04515	1.5
134.04764	0.4
135.08122	0.7
137.09715	0.6
140.75613	0.3
141.09200	3.1
143.07074	0.3
143.10768	11.0
144.04482	0.5
146.06100	0.8
153.09305	0.4
155.10786	2.5
157.07652	2.2
157.12328	2.5
158.06096	8.7
173.04494	0.5
173.11816	1.2
174.05579	2.0
175.08746	2.1
181.08659	0.4
183.83482	0.3
189.06795	0.5
191.05670	0.6
201.11310	12.6
201.13184	0.7
202.05074	3.7
202.11621	0.5
219.08051	2.0
219.12346	100.0
220.12688	4.3
261.04294	0.6
261.08911	8.7
261.13376	20.5
261.22137	0.5
262.09225	0.5
262.13718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
59.01377	3.4
59.54693	0.4
60.99284	0.5
66.05235	0.4
66.21513	0.3
67.01885	4.9
67.47945	0.4
69.03437	1.3
70.62383	0.6
70.62714	1.0
71.01374	2.9
71.04989	0.4
73.02980	0.5
78.95867	0.6
81.03448	1.0
83.05032	2.7
85.06596	0.6
87.00843	0.4
87.04509	37.7
88.04843	1.0
93.03453	26.0
94.03750	0.5
97.06593	1.7
101.02452	1.3
109.02969	0.6
111.00884	0.9
111.04527	4.9
115.07610	0.7
127.03975	1.0
137.02431	5.4
155.03485	4.8
173.04532	100.0
173.81674	0.4
174.04837	2.4
219.12384	1.5
243.12422	0.9
247.52589	0.4
261.09756	16.1
261.13345	6.0
262.10211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99244	0.4
54.80835	0.5
57.03436	1.6
59.01374	3.5
60.99305	0.7
61.04896	0.5
67.01890	4.9
69.03444	1.3
71.01378	3.9
71.02613	1.2
72.00904	1.4
73.02943	0.5
74.02479	2.9
81.03434	1.2
83.05022	2.2
85.02921	1.0
87.04508	36.5
88.32362	0.4
89.01508	0.5
93.03452	25.8
97.06594	0.9
101.02418	1.5
109.02928	0.6
111.00891	1.4
111.04507	5.7
111.39016	0.5
116.05047	8.9
126.04314	0.6
127.03986	1.0
130.06563	0.9
134.04697	1.6
137.02432	4.7
142.06633	2.3
152.58603	0.5
155.03503	5.2
159.09267	1.6
173.04533	100.0
174.04909	2.8
201.11389	0.9
203.08250	18.3
204.08513	0.9
217.09833	0.6
219.12386	1.7
225.06349	1.1
243.12257	1.0
261.01208	0.9
261.04108	9.8
261.09753	18.0
261.13348	5.2
262.04453	0.7
262.10291	0.5
269.97714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49392	1.2
57.26440	1.2
59.01379	19.1
70.09261	3.7
71.01370	1.7
72.81483	1.3
73.02948	2.4
88.21224	1.3
88.72656	1.3
94.81902	1.2
98.20602	1.5
125.09713	1.8
137.09715	8.5
155.10773	100.0
156.11125	2.5
162.39235	1.3
171.10243	19.9
172.98943	1.2
197.11838	2.2
199.07922	2.6
199.09743	35.2
200.10046	1.9
202.59827	1.2
209.11821	2.3
215.12793	8.1
217.10786	93.3
218.10976	3.2
223.09734	2.6
241.10735	1.9
259.02322	2.2
259.11783	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	259.1183
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
55.01875	0.9
57.03447	1.5
59.01374	69.6
59.13307	0.9
60.13972	0.8
65.87772	0.7
69.03420	1.0
70.62952	1.7
70.63344	1.7
71.01341	1.0
71.05038	1.0
73.02939	53.6
74.65798	0.8
83.05015	1.7
85.02937	0.9
85.78761	0.7
87.52070	0.8
95.04987	0.9
96.96948	0.9
97.06586	4.0
99.04521	1.3
101.02413	1.1
104.71188	0.7
105.37030	0.8
107.05009	3.2
110.03719	0.9
116.92615	1.0
123.08119	5.0
125.06075	15.4
127.03925	0.9
132.87032	0.8
137.09636	1.0
138.75630	0.8
141.09229	2.1
148.76054	0.8
151.18156	0.9
167.07144	7.9
170.89609	0.7
181.08655	3.2
185.08167	57.7
186.08496	1.9
192.38007	0.8
197.09991	1.3
197.11807	19.9
199.09740	17.3
200.10005	1.3
215.12827	5.1
217.10886	1.0
240.05467	0.9
241.10884	6.7
259.11850	100.0
260.12167	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58652	0.5
53.04269	0.6
70.75215	1.5
80.02655	1.6
81.03454	1.1
83.05021	6.7
84.02168	3.0
95.05056	0.7
123.35831	0.5
135.08183	0.6
163.11340	3.8
165.12817	2.8
181.12335	1.0
191.10773	1.0
209.11810	100.0
210.12137	5.6
227.12859	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	261.0072
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
59.01370	5.5
69.74953	1.5
69.75367	1.7
71.77452	0.5
72.99298	12.0
75.00867	2.1
78.95890	1.3
79.95744	6.3
80.96521	1.6
81.03470	1.3
83.04995	0.9
85.02969	1.1
87.04514	2.7
93.03448	18.7
96.96016	2.1
101.02444	1.2
103.25889	0.5
107.05017	1.8
118.94203	0.8
119.05019	38.4
120.05328	1.3
120.99682	0.6
122.53500	0.6
123.45456	0.6
134.04707	0.6
135.04512	23.7
136.04826	0.6
137.06062	1.1
158.06114	1.0
163.03992	33.7
164.04356	1.1
173.04510	3.8
178.94949	1.3
181.05054	76.8
182.05391	2.5
199.00690	14.5
200.01045	0.7
201.11227	1.0
202.05305	0.7
215.00188	6.8
219.12355	8.1
220.06450	0.9
261.00702	100.0
261.13348	4.0
261.22260	0.9
262.00970	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29213	1.3
57.03452	3.4
59.01369	5.7
61.07097	1.7
71.05019	12.4
71.10455	3.9
75.00897	2.2
83.05015	3.9
95.04984	1.5
97.02926	3.4
97.06586	13.8
98.19742	1.5
99.00874	27.4
109.06590	2.1
123.08165	5.6
125.09711	100.0
126.10096	2.3
132.02122	2.2
133.02896	2.0
135.04510	4.4
142.02635	1.4
161.02353	2.4
163.11194	3.4
181.12321	14.6
197.90273	1.9
207.10234	23.1
219.84674	2.6
221.84212	7.7
225.11302	75.5
226.11586	2.3
239.12834	7.2
257.04620	1.9
257.08160	3.3
257.13925	48.5
257.17453	4.2
257.21155	5.1
257.23932	4.9
257.94138	1.5
258.20734	6.0
265.50812	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	259.0221
Annotation	beta-D-Fructose 6-phosphate
Peak:m/z	Relative Intensity
54.58018	4.0
57.03427	12.9
58.22935	4.5
59.01363	6.7
63.32397	4.0
70.00191	21.3
71.01379	41.8
73.02948	8.4
73.12884	3.8
78.95897	84.3
83.01368	12.6
85.02938	17.3
87.00861	12.3
96.96952	38.5
98.20648	4.6
99.00884	63.4
102.38908	4.6
111.00880	37.1
112.98800	100.0
115.00387	6.8
122.66851	4.2
129.01962	27.1
145.01382	9.0
146.04578	4.8
147.02972	5.3
163.75539	4.8
173.00905	41.3
182.09978	4.4
191.01958	11.9
205.03548	6.6
223.04552	4.6
235.88608	4.9
241.01100	13.3
259.02274	27.8
259.04654	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	257.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.01591	0.9
57.03448	7.5
58.64576	0.9
59.01366	2.1
63.39872	1.1
64.72683	0.9
65.80480	1.0
69.03434	4.7
69.34998	7.9
71.05017	17.6
81.03477	1.4
83.05011	2.5
88.46185	1.1
95.05001	2.7
97.02970	3.4
97.06586	16.6
99.00883	18.1
109.06572	2.8
110.03715	1.8
123.08142	8.7
125.09715	100.0
126.10061	2.4
133.03012	1.3
135.94293	1.0
142.02661	2.2
151.11235	1.5
153.09204	6.3
153.12814	3.1
161.09618	1.2
163.11282	19.9
179.10783	3.3
181.12323	57.0
182.12631	3.4
207.10251	33.2
213.14915	1.8
225.11299	79.1
226.11728	3.0
227.64603	1.0
239.12946	4.0
257.08167	2.0
257.13931	44.9
257.21234	2.2
257.23749	2.1
258.14233	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03096	1.0
57.03428	5.2
59.01357	2.4
69.03436	3.6
71.01368	3.8
71.04619	1.2
71.05016	21.6
81.37994	1.1
83.05001	3.2
95.05017	1.4
97.06585	12.2
98.20620	3.1
99.00879	12.2
105.47990	1.0
109.06573	1.7
123.08156	9.2
123.42267	0.9
125.09715	84.4
126.10032	1.6
137.09560	1.3
151.11276	1.0
153.09183	6.0
153.12813	3.2
163.11272	27.9
179.10730	3.3
181.12326	53.4
182.12698	2.1
185.11868	2.4
194.34908	0.9
195.13884	1.2
207.10266	12.2
211.13431	1.2
213.14894	1.9
225.11290	38.4
226.11688	1.7
239.12784	5.5
257.13919	100.0
257.23883	1.5
257.93781	1.2
258.14175	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	256.1916
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
59.01367	0.7
60.38997	0.3
65.07233	0.3
70.44821	1.0
74.02466	100.0
75.00892	0.4
75.02800	0.8
82.62064	0.3
83.52367	0.3
84.04533	1.1
98.20024	0.4
120.49270	0.3
184.69188	0.3
210.18736	0.4
212.20172	4.0
219.84505	4.0
256.19159	47.8
256.23395	13.9
257.17322	0.3
257.19461	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	257.0816
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
59.01361	1.1
65.03943	0.8
69.28217	0.5
69.41970	3.3
69.42394	1.4
75.00891	0.9
79.01894	0.6
81.03474	0.8
83.05013	1.6
85.02956	0.7
93.03460	7.8
95.01369	0.6
95.05012	0.7
98.98846	0.5
106.04240	19.5
107.05026	40.3
108.02163	8.6
108.05363	0.6
109.02944	1.5
111.04470	0.6
116.11282	0.5
119.05071	0.7
121.02949	10.6
125.09771	0.6
134.38506	0.6
134.76840	0.6
135.04565	0.7
137.02473	0.6
138.03198	1.9
164.30536	0.6
171.08136	1.8
185.15417	0.9
185.68407	0.6
213.09193	61.9
214.09534	2.5
221.84219	0.6
225.11310	1.0
228.66512	0.5
233.94234	0.6
256.23627	1.9
257.08170	100.0
257.17511	1.7
257.21118	1.4
257.23862	1.5
258.08496	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	253.217
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
59.01376	74.4
59.87864	8.2
65.21416	7.4
65.49556	6.9
70.68935	20.5
92.41444	7.9
92.45384	7.5
111.99308	7.9
122.11051	7.6
122.22239	8.8
128.50047	7.7
132.88387	7.3
137.74966	7.4
143.15352	8.2
147.80173	7.6
149.74850	8.6
151.22273	8.3
157.36664	9.5
159.70937	10.4
193.06981	9.0
240.19598	8.9
253.21744	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	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26769	0.7
53.92206	0.8
54.60537	0.7
57.03435	1.4
59.01389	1.8
69.03452	0.8
69.34968	1.3
69.35368	6.2
70.13777	0.8
71.01365	1.0
81.03464	2.2
83.05024	6.9
93.03379	0.9
95.05029	5.8
97.06585	27.5
123.08150	1.1
133.10202	5.3
138.97740	0.9
149.09735	5.4
151.11278	100.0
152.11606	4.7
152.91789	1.3
170.28587	0.8
183.13893	22.7
184.14130	1.1
188.14302	0.8
194.92822	3.1
195.10298	1.6
211.13290	1.0
216.87498	0.8
255.12366	32.5
255.23277	36.8
256.12671	2.4
256.23593	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	251.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.5
57.03443	6.6
58.00575	3.0
59.01376	85.2
65.38321	1.2
69.03446	1.3
71.01379	100.0
71.31870	2.2
72.01724	1.2
72.99312	5.4
73.01183	6.7
73.02944	33.9
74.99081	1.2
75.00864	2.6
83.01379	18.0
85.02949	50.7
85.04057	1.8
87.00869	7.1
87.04506	2.0
89.02442	25.7
92.69889	0.9
95.01386	9.5
97.02950	1.8
99.00874	13.4
101.02439	99.0
103.02228	7.0
103.02829	1.1
111.00854	2.5
113.02443	40.1
115.04024	1.3
119.03517	9.5
120.99676	2.6
121.03293	12.2
125.02454	2.1
129.01915	1.3
131.03529	1.7
135.03137	1.3
141.85959	0.9
142.87871	1.1
143.03502	4.6
146.95168	2.4
159.02998	11.1
161.04543	48.6
161.59834	1.0
162.04918	1.1
163.04276	4.8
191.05637	2.4
205.03484	1.9
209.04857	2.0
212.43922	1.2
221.09357	3.7
251.05856	3.8
251.11349	34.2
252.11679	1.1
270.78091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03044	0.7
59.01375	75.6
71.01376	3.3
71.62058	1.0
72.51852	0.6
72.99303	6.3
78.95894	2.6
84.58508	0.8
87.60862	0.6
89.02425	1.2
99.00871	0.7
101.02413	1.7
105.61708	0.6
113.02453	1.0
117.03468	2.8
121.02937	1.4
122.03744	0.8
123.98737	0.6
134.03732	100.0
135.04108	3.2
137.02400	1.7
146.45941	0.6
149.06071	28.3
150.03206	11.2
150.04347	1.0
150.06390	1.0
161.04520	2.3
165.05542	9.9
171.00641	1.4
178.02736	4.1
193.05052	50.1
193.07071	4.8
194.05339	2.2
196.92532	0.6
204.82080	0.6
211.06102	70.3
212.06447	3.2
236.37019	0.6
253.09209	1.6
253.21744	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	249.1856
Annotation	roughanic acid
Peak:m/z	Relative Intensity
54.34230	0.5
56.16476	0.6
57.06188	0.5
59.01374	3.7
59.39572	0.5
61.60466	0.5
65.92741	0.4
70.51839	1.0
70.52193	1.3
71.01368	0.8
81.90586	0.6
103.58029	0.6
187.28941	0.6
204.04219	2.1
205.15945	1.4
205.19556	1.1
219.06627	0.8
231.17555	0.9
232.11485	0.5
248.97226	0.8
249.18556	100.0
250.14488	9.4
250.18826	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	251.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.5
57.03443	6.6
58.00575	3.0
59.01376	85.2
65.38321	1.2
69.03446	1.3
71.01379	100.0
71.31870	2.2
72.01724	1.2
72.99312	5.4
73.01183	6.7
73.02944	33.9
74.99081	1.2
75.00864	2.6
83.01379	18.0
85.02949	50.7
85.04057	1.8
87.00869	7.1
87.04506	2.0
89.02442	25.7
92.69889	0.9
95.01386	9.5
97.02950	1.8
99.00874	13.4
101.02439	99.0
103.02228	7.0
103.02829	1.1
111.00854	2.5
113.02443	40.1
115.04024	1.3
119.03517	9.5
120.99676	2.6
121.03293	12.2
125.02454	2.1
129.01915	1.3
131.03529	1.7
135.03137	1.3
141.85959	0.9
142.87871	1.1
143.03502	4.6
146.95168	2.4
159.02998	11.1
161.04543	48.6
161.59834	1.0
162.04918	1.1
163.04276	4.8
191.05637	2.4
205.03484	1.9
209.04857	2.0
212.43922	1.2
221.09357	3.7
251.05856	3.8
251.11349	34.2
252.11679	1.1
270.78091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.34470	0.4
57.03423	0.8
58.38039	0.4
59.01376	2.2
63.12424	0.4
69.27896	0.9
69.28307	3.0
73.02926	0.5
79.05531	0.5
83.05023	3.1
85.05706	0.4
97.06595	2.4
98.19821	0.9
113.80704	0.4
119.41757	0.4
121.02911	0.5
121.06591	0.9
137.09695	1.5
147.04530	0.5
161.02402	0.4
167.57091	0.4
187.14905	8.2
203.14391	0.5
204.04308	2.7
205.12335	0.8
205.15952	1.2
219.06732	2.0
248.97285	0.8
249.08006	2.4
249.14926	100.0
250.15167	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	249.1493
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
57.03439	1.8
59.01375	9.9
61.34453	0.6
69.03449	31.1
71.01388	1.2
71.62399	0.8
75.92460	0.7
81.03443	0.8
83.05010	3.3
93.03480	0.8
95.05024	3.0
96.95992	7.1
97.06573	1.3
106.04236	1.2
109.06628	0.9
111.08133	1.9
119.04994	1.3
133.10245	1.4
134.07339	2.0
135.08118	1.0
146.98550	0.7
149.13332	3.1
161.13351	1.8
167.10728	2.9
171.10214	1.2
175.11259	1.3
179.10728	1.1
187.14899	3.4
191.10710	1.2
193.12315	6.9
203.14314	1.7
204.04277	2.5
205.12294	9.3
205.15915	9.4
219.06555	1.5
221.15433	15.3
226.30377	0.8
231.13869	32.9
232.14264	2.2
249.11745	5.1
249.14923	100.0
250.15269	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	247.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04453	0.2
52.37982	0.2
57.03449	0.6
58.00583	0.4
59.01373	0.5
61.64254	0.2
63.33338	0.2
69.47311	1.2
69.47725	0.4
71.01374	0.4
73.02945	3.2
85.02944	0.2
93.22794	0.2
96.96002	0.7
98.19907	0.4
101.06094	0.3
121.24850	0.2
125.09724	1.6
127.11270	3.2
137.09714	0.3
137.15865	0.2
139.11270	0.2
141.09241	0.3
141.12912	0.2
143.10732	0.9
153.09242	0.3
153.12831	0.2
155.10767	2.2
155.14423	0.4
157.12350	0.7
165.09189	0.6
165.12827	0.4
167.14348	0.4
171.10246	4.7
171.13911	0.4
181.12309	0.7
183.10265	0.5
183.13873	0.3
185.11890	0.2
189.79532	0.2
193.12291	0.4
197.11800	0.6
199.09651	0.3
199.13358	1.3
201.11302	8.9
202.11667	0.4
209.11870	1.0
211.13332	1.8
213.11324	0.3
215.12866	5.0
227.12869	3.2
229.14417	10.2
230.14722	0.5
242.94853	0.2
247.06726	1.8
247.15477	100.0
248.06677	0.2
248.15802	4.1
248.18106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1699
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.00468	0.1
59.01364	0.5
69.39763	1.0
71.01375	0.5
79.95722	0.1
89.02444	0.3
98.19882	0.2
103.03996	0.3
121.02914	0.2
130.83122	0.1
132.98204	0.2
165.01843	0.1
174.99200	0.2
183.30075	0.1
184.00146	0.9
186.95566	0.9
186.99254	0.1
203.10724	0.1
205.15918	0.3
220.16995	0.7
231.13863	0.3
247.16994	100.0
248.07919	1.1
248.17340	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	247.061
Annotation	Misakimycin
Peak:m/z	Relative Intensity
56.98837	0.4
59.01368	1.7
61.40429	0.5
69.45002	3.0
71.01376	1.1
85.63779	0.3
91.59636	0.4
104.97463	0.4
109.02922	1.1
121.02947	0.8
124.01644	0.5
129.07050	0.5
130.04214	0.4
133.02959	3.6
143.04953	0.8
145.02837	0.6
146.03725	13.9
147.04495	1.9
147.08141	1.0
148.05281	0.7
150.03264	1.1
155.05064	0.5
156.05765	0.6
157.06561	3.3
159.04509	6.2
160.05215	1.3
161.02362	0.7
170.03865	0.4
171.04483	1.9
172.05159	0.6
173.02448	0.5
173.06049	4.4
174.03201	46.8
174.06749	2.6
175.03537	2.2
175.07620	33.2
176.07953	1.7
177.01924	0.7
185.06065	14.3
186.06548	1.0
186.95567	0.9
187.03996	9.4
188.04761	9.2
189.01909	15.6
189.03613	0.9
190.02693	16.3
191.03206	0.9
201.05556	0.5
202.02831	0.4
202.06340	1.2
203.03485	1.2
203.07114	42.7
204.07463	2.4
205.04977	0.9
214.11591	0.4
218.02173	9.7
219.06581	21.1
220.03717	0.9
220.06883	0.8
247.06076	100.0
248.06451	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	247.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06400	2.1
52.35831	2.0
53.40781	2.2
59.01373	82.1
69.30135	2.4
71.01375	10.9
71.05000	3.6
71.62615	2.9
72.99300	3.0
73.02925	2.5
85.02924	3.2
87.04504	3.8
87.06791	2.5
99.04491	14.7
99.08142	4.2
101.02440	2.3
103.00358	14.5
115.03986	8.9
117.05567	6.4
125.71215	2.1
143.07123	3.0
150.04160	3.4
161.08179	100.0
161.09529	5.4
166.03632	2.2
173.04494	7.3
174.03220	3.4
186.95573	6.5
203.09094	5.6
229.08588	5.4
247.06134	5.8
247.09605	4.4
247.11839	3.9
247.15399	5.6
262.26831	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	245.1181
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
59.01369	3.2
59.85896	0.8
61.98819	1.1
65.33207	0.8
70.01566	0.9
70.72910	0.8
71.63304	0.9
79.72518	0.8
82.67188	0.7
86.90253	0.9
87.00871	1.2
93.33289	0.9
101.02465	1.0
117.03455	22.7
119.05018	100.0
120.05341	3.0
121.02919	4.8
123.04515	1.6
132.05792	1.0
133.02913	1.3
134.60709	0.8
139.44263	0.8
145.02939	41.8
146.03281	1.5
163.03995	44.7
164.04320	1.8
174.99203	1.1
245.11786	97.9
245.19061	11.9
246.12032	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	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98236	0.6
57.03420	0.7
58.00578	1.2
59.01365	1.2
70.02975	0.7
70.83412	1.1
70.83745	1.3
73.02928	0.9
74.02449	2.5
81.03455	1.2
82.17693	0.7
83.05015	5.4
84.02149	2.0
100.95892	0.7
113.32929	0.7
115.83576	0.6
116.03532	1.1
119.69156	0.7
125.09737	3.9
127.11293	6.8
132.27588	0.7
137.09744	0.9
139.11266	1.4
154.95978	0.6
155.10783	1.7
163.11288	4.4
165.09183	2.3
165.12840	2.8
168.49564	0.7
171.10237	2.8
183.10234	1.6
199.09703	1.6
201.11301	87.6
202.11690	3.3
203.08215	2.1
209.11803	100.0
210.12149	5.4
221.73128	0.7
223.57724	0.8
227.12860	17.9
228.13287	0.8
245.09293	1.7
245.13872	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	245.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68345	1.2
51.63372	1.5
57.03442	1.6
58.00578	7.0
59.01377	25.9
66.44963	1.6
69.72170	6.3
69.72584	2.7
71.01381	16.2
72.02159	3.8
72.99312	2.3
73.02952	3.0
74.02460	2.8
75.00854	2.7
78.95898	17.0
81.07080	2.6
82.81338	1.7
83.01398	1.5
85.02963	7.5
85.29313	1.3
87.00876	23.6
89.02447	11.0
95.05040	3.1
96.96954	4.5
97.06584	13.4
98.20650	2.6
99.00903	1.7
99.04523	1.6
99.08153	8.3
101.02430	2.8
105.01943	2.3
106.70998	1.7
108.02164	2.1
109.01678	1.9
109.06580	6.4
111.00877	1.9
111.08185	2.0
112.01656	1.9
112.07700	1.4
113.03553	6.9
114.98592	2.1
116.07169	1.7
117.41618	1.7
119.03539	2.0
119.05024	1.8
123.04509	1.6
123.08236	2.2
125.06095	5.0
126.04342	3.3
127.07652	100.0
128.07985	1.9
129.01938	4.5
129.09221	3.2
129.10345	3.2
130.08736	46.0
130.98021	1.6
137.06076	9.2
139.07664	10.2
140.07191	4.2
141.09219	3.2
141.10329	3.4
147.03011	2.7
152.99570	11.2
155.07149	41.7
156.10379	2.3
157.08672	4.1
167.07137	4.3
171.00653	4.6
174.99269	1.8
183.11409	4.7
185.08205	3.8
199.09712	1.6
210.07689	5.4
215.10315	2.9
227.10349	14.3
245.04361	13.1
245.10051	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	245.0431
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.72083	0.4
60.72539	0.4
62.55772	0.4
64.98052	0.5
70.93871	1.1
78.86060	0.4
78.95896	100.0
81.21172	0.4
83.91100	0.5
93.12804	0.4
96.96952	9.0
110.15434	0.5
114.51353	0.4
116.29416	0.5
130.50021	0.4
150.97958	1.4
152.99576	79.9
153.99931	0.6
171.00626	34.2
244.85909	0.5
245.04282	97.0
246.04729	2.5
247.00949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93864	0.3
57.03437	0.9
58.02982	0.4
59.01370	1.1
69.31496	1.6
69.31924	1.4
71.05029	0.6
72.04508	0.3
74.02461	1.7
78.95901	0.9
79.95728	17.8
80.96510	2.0
82.42235	0.3
83.04985	0.7
95.74868	0.3
96.95992	1.7
98.02493	0.4
103.51009	0.3
107.05014	11.4
107.51568	0.3
116.03531	0.4
116.05057	0.8
121.06591	1.9
123.04517	0.6
125.09702	1.1
127.11292	1.5
127.40665	0.3
129.01868	0.4
135.08147	1.2
136.67618	0.4
147.08138	4.3
149.06067	4.1
152.99590	0.7
155.10739	0.9
163.11337	0.7
165.09186	100.0
166.09540	4.5
170.33215	0.3
171.10243	0.9
185.24406	0.4
199.09683	0.5
201.11296	21.2
202.11588	0.6
203.08253	1.5
209.11801	14.9
210.12300	0.5
227.12854	2.4
245.04845	87.4
245.13676	1.5
246.05164	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1028
Annotation	Jioglutin D
Peak:m/z	Relative Intensity
56.31896	0.4
56.99850	0.4
59.01379	2.9
69.75394	2.5
72.99303	22.5
75.00867	55.6
76.01161	0.4
78.95895	1.4
85.02936	0.7
87.00869	0.6
88.69006	0.4
97.06554	0.5
98.19867	0.9
101.02437	0.5
101.06063	0.5
109.06583	0.4
123.08156	0.8
125.06023	0.5
127.07660	0.5
129.03914	0.5
141.05510	0.7
141.09210	0.9
151.07635	1.8
152.99577	1.1
165.09248	1.2
169.08687	4.0
171.00652	0.4
172.23016	0.4
174.99213	0.8
188.83917	0.4
195.35001	0.4
199.09743	0.6
209.08179	0.6
227.09242	6.6
245.10263	100.0
246.10670	4.4
265.84082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37012	0.6
55.50481	0.5
59.01373	2.2
61.98823	2.6
69.03452	0.8
71.17967	0.9
81.46002	0.5
85.03063	0.5
85.57707	0.6
87.55300	0.5
93.18745	0.5
94.23840	0.5
99.51910	0.5
110.02463	1.1
116.13581	0.5
122.80672	0.5
124.03995	0.6
125.09714	1.6
126.20420	0.5
137.69443	0.5
181.12285	0.8
183.13885	8.7
193.12309	2.5
201.11316	0.7
209.96562	0.5
211.13377	100.0
212.13741	3.9
225.11305	1.3
243.02745	0.6
243.06633	1.0
243.10239	1.5
243.12386	2.3
243.15883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03431	1.6
59.01376	22.3
66.03001	0.7
69.51250	2.3
69.51672	1.8
71.01363	1.3
71.05022	1.9
71.62713	0.5
73.02939	1.4
91.39185	0.6
95.05043	0.8
97.02939	2.5
97.06573	0.6
99.00868	7.3
101.73379	0.5
109.06623	1.1
110.03729	0.8
125.09728	3.6
127.11276	1.8
135.08154	0.6
139.11285	11.6
142.02682	0.9
153.12823	1.1
155.10793	0.9
155.14383	0.7
163.11264	3.7
167.76402	0.6
171.10246	0.7
181.12320	19.9
183.10236	17.9
197.11841	2.0
199.13376	34.7
200.13780	1.9
201.11317	4.6
202.72469	0.6
207.10236	19.8
208.10605	0.6
210.89156	0.7
215.12866	0.6
225.11295	44.9
226.11606	2.2
231.99457	0.6
243.12343	100.0
244.12682	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	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.25666	0.5
59.01370	1.1
65.00024	0.5
65.22245	0.4
69.52791	1.7
69.53215	1.9
70.91512	0.5
71.01409	0.6
71.05006	2.3
83.05012	0.6
97.02962	3.8
97.06557	1.4
99.00875	13.2
109.06572	1.8
110.03757	0.9
119.04999	4.0
120.08566	0.5
122.13828	0.6
125.09724	5.2
135.08150	0.6
142.02695	0.8
155.14391	1.4
161.09691	0.6
163.03909	0.7
163.11261	5.2
173.49718	0.5
181.10765	1.0
181.12329	13.6
197.11913	0.6
199.00659	0.6
199.13367	12.3
200.13818	0.5
207.10237	28.6
208.10631	0.9
225.11290	52.0
226.11598	2.0
243.12332	100.0
244.10130	0.9
244.12619	4.9
257.74741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01873	0.7
57.03420	0.6
59.01383	3.9
63.97490	0.6
69.46899	5.0
71.01361	0.8
71.05030	3.7
89.79489	0.5
92.53412	0.6
95.40689	0.6
97.02931	4.8
97.06568	1.2
99.00876	21.0
104.82747	0.6
109.06590	2.4
110.03701	2.3
123.08189	0.7
125.09695	7.4
135.08168	1.1
142.02654	1.5
144.14117	0.7
153.12845	0.8
155.10823	0.8
155.14424	1.2
163.11253	9.4
171.10289	1.8
179.10783	1.3
181.12326	23.4
182.12727	0.8
197.11873	0.9
199.13374	19.4
200.13774	0.8
201.11349	4.3
207.10249	45.5
208.10397	1.5
225.11293	82.2
226.11621	5.0
243.12341	100.0
244.12686	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
58.00578	5.9
59.01363	22.0
61.28222	3.7
61.98822	33.3
66.24546	3.6
70.56649	3.3
71.01342	5.4
71.63483	4.6
72.56746	3.2
73.02950	6.4
81.03464	6.9
83.05021	3.9
84.82091	3.8
89.01407	3.7
94.45615	4.0
96.39610	3.4
97.02962	10.3
97.37679	3.6
99.00842	4.3
109.06592	44.6
110.02466	8.3
110.03682	4.0
111.00822	5.1
122.20698	4.2
123.08122	3.8
125.06116	6.5
125.09718	8.1
135.08136	8.2
137.09706	8.1
155.10728	4.1
163.11295	24.0
171.10257	24.4
181.08640	4.4
181.12349	8.6
197.11751	3.8
199.09753	100.0
200.10083	5.2
207.10251	88.4
215.12914	18.1
225.11304	94.1
226.11565	5.1
243.06563	4.1
243.10161	4.7
243.12312	22.5
243.15894	7.3
263.14731	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	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01880	0.7
57.03447	12.8
59.01362	1.3
60.31833	0.7
61.98820	1.5
69.03477	1.1
69.71541	0.7
70.81140	0.8
71.05020	0.7
73.02954	2.2
75.83995	0.7
80.02654	0.8
83.05000	1.7
95.05026	2.0
97.06583	16.3
98.19772	1.0
107.19926	0.7
109.06562	0.9
111.08164	1.4
123.08154	9.2
125.09716	100.0
126.10060	2.8
137.09756	1.4
139.11287	9.7
140.11650	0.7
149.09723	1.2
151.46039	0.6
153.09207	1.0
155.10765	2.7
165.09204	1.1
167.10751	32.7
168.11122	2.1
169.08694	0.8
183.10236	7.9
190.95477	0.8
199.13359	1.8
211.09723	6.5
211.13289	6.1
225.11339	0.6
229.12065	0.8
243.12346	48.8
244.12659	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	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.70002	0.4
57.03440	1.4
61.47182	0.4
69.03457	2.8
69.55504	3.1
70.11433	0.5
71.01379	0.6
71.05016	4.3
81.03453	0.5
81.40224	0.4
83.05003	0.7
97.06541	0.5
100.97508	0.4
123.08122	1.0
125.09702	2.6
151.11253	1.2
153.12868	2.7
161.09717	1.2
179.10767	7.4
192.26335	0.5
197.11809	100.0
198.12167	3.9
223.09807	2.6
241.10794	92.9
242.11133	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
59.01367	0.9
61.98824	0.8
69.53514	0.5
70.12436	1.2
70.12823	1.2
81.03460	0.8
83.05026	3.5
95.05021	1.6
97.06586	8.8
101.02446	0.8
109.06591	0.9
111.08149	8.5
137.09680	0.8
147.11798	1.0
149.09743	0.9
163.11295	2.3
165.12830	100.0
166.13199	4.5
167.14563	0.5
181.07132	1.2
197.15450	23.4
198.15787	1.2
209.11833	3.5
210.12230	0.5
241.14450	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	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.31731	1.6
56.96969	1.4
58.00570	3.0
59.01379	11.0
61.98825	11.3
67.89704	1.9
69.03429	3.0
71.01377	2.6
71.62987	2.8
72.99281	1.8
73.02935	9.3
80.02698	1.8
81.03467	4.2
83.05011	5.9
84.02156	2.2
85.02962	2.3
97.02937	4.2
97.06615	2.1
99.00881	2.2
108.02190	2.2
109.06577	38.1
110.02490	2.3
110.06912	2.3
121.06602	1.8
125.06046	2.9
125.09709	7.9
127.11262	3.0
135.08171	4.2
137.02397	2.5
137.06023	2.1
137.09665	5.0
142.02608	2.5
143.10695	1.9
153.09210	2.1
155.10756	6.1
161.09756	1.7
163.11285	21.2
171.10265	23.5
179.10690	2.2
181.08638	3.7
181.12355	7.0
199.09735	100.0
200.10031	3.6
207.10249	74.7
208.10582	3.6
215.12845	10.0
225.11304	83.7
226.11610	4.9
243.06662	2.3
243.12373	10.0
243.15802	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	240.981
Annotation	7-Hydroxycoumarin sulfate ester
Peak:m/z	Relative Intensity
69.27960	2.0
74.95937	0.2
85.48083	0.2
85.84635	0.2
103.36662	0.2
117.03469	0.7
119.86485	0.2
123.04499	0.4
126.79374	0.2
133.02943	3.0
161.02428	100.0
162.02762	3.4
190.29022	0.2
240.98102	12.5
241.10812	0.2
241.98526	0.4
257.71436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03441	1.1
59.01376	44.4
60.01710	1.1
60.99328	0.7
61.98817	0.8
69.03449	3.1
71.01366	1.2
72.99303	4.2
78.95931	0.8
81.03502	0.6
83.04999	0.7
93.03471	1.3
95.04978	0.8
98.19875	1.2
101.02428	1.8
107.08659	16.3
111.04501	0.8
119.08659	2.2
123.08192	1.4
123.77124	0.6
133.06544	0.9
135.08163	0.7
135.98389	1.3
137.09723	1.0
151.07555	1.6
153.09186	1.3
163.07545	1.2
163.34117	0.6
169.08635	1.6
181.07169	2.1
181.08667	15.0
182.09006	0.9
197.11761	3.8
199.09729	100.0
200.10115	4.1
212.26042	0.7
241.10852	4.5
241.14365	0.9
241.18056	1.0
241.21745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89383	0.4
53.16100	0.5
54.34362	0.5
55.75464	0.4
57.03425	0.5
61.54905	0.4
69.03442	2.8
69.55401	2.8
71.01361	0.6
71.05019	4.3
81.03492	0.6
97.06552	0.6
123.08131	1.2
125.09714	1.7
151.11241	1.1
153.12837	3.9
161.09686	2.1
179.10770	7.5
179.14224	0.4
181.61024	0.5
197.11804	100.0
198.12154	3.9
223.09724	2.8
223.36044	0.5
240.04420	0.4
241.10786	96.0
242.11096	4.3
263.18896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1493
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
51.18744	0.4
57.03444	19.3
59.01373	4.3
60.71429	0.4
69.96081	1.0
69.96478	1.0
71.01377	0.7
75.30097	0.5
83.05023	3.3
85.06575	0.6
86.80302	0.4
96.96003	6.9
101.02443	0.7
109.06579	1.3
129.01846	0.5
139.11313	0.7
149.09700	1.0
167.10756	2.1
168.11166	0.6
173.09979	0.5
177.12804	0.8
179.10782	2.6
193.15970	4.5
195.13858	4.3
219.13847	1.1
237.14928	100.0
238.15251	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	238.0719
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
54.34452	1.0
58.13934	1.1
59.01384	6.7
70.76109	3.0
71.01385	9.2
72.99299	22.2
76.72597	1.0
81.95313	1.0
84.97970	1.1
85.02923	1.3
87.00877	1.3
92.05054	15.5
93.73427	1.0
99.00867	3.3
100.56442	1.0
118.06596	4.3
120.04543	22.9
125.61013	1.1
128.05061	23.7
130.06615	100.0
131.03781	9.3
131.06929	3.8
132.04575	1.4
144.04535	3.9
146.06107	44.8
147.06468	2.2
148.04039	18.1
148.07700	3.9
158.06091	18.4
161.04594	1.8
172.03993	3.4
174.05644	5.1
176.07141	32.4
179.05591	4.7
193.46642	1.1
210.07693	8.0
220.06125	44.4
238.07178	89.9
239.07489	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	239.0923
Annotation	CMPF
Peak:m/z	Relative Intensity
50.72441	0.5
54.05749	0.5
57.03445	0.5
59.01375	100.0
60.01720	0.8
65.64273	0.5
66.74359	0.6
68.97894	0.5
71.01383	1.5
72.49854	0.5
73.02913	0.7
78.08889	0.4
81.03456	1.7
83.05048	0.8
85.02954	1.9
85.28951	0.4
87.00871	4.9
95.05042	1.3
96.95992	0.5
97.02949	1.0
97.06577	2.4
99.00887	1.3
101.02436	0.8
107.37067	0.5
109.06579	2.2
111.89685	0.4
117.01933	1.3
121.02950	0.9
123.04491	0.4
125.02447	0.6
135.08136	2.2
141.05583	7.5
151.04044	0.5
151.11252	2.1
161.04561	4.9
177.09123	2.5
179.05603	22.4
179.07027	1.1
180.05959	1.2
195.10237	30.3
196.10594	1.8
221.08141	1.0
223.02823	0.6
239.05511	1.6
239.09250	24.3
240.09561	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	237.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04674	1.2
55.01870	9.5
57.03448	6.2
58.00571	2.9
59.01373	70.7
69.03426	1.2
71.01375	92.7
71.62042	2.1
72.99290	5.4
73.02940	35.1
75.00863	3.1
83.01380	15.7
85.02945	44.4
87.00874	10.7
89.02429	16.0
95.01377	6.2
97.02933	3.3
99.00873	17.2
101.02434	100.0
107.01703	1.7
111.00867	3.2
112.98793	5.7
113.01684	2.4
113.02441	40.0
114.02824	1.3
115.00351	3.5
119.03487	4.3
120.99609	3.7
125.02402	2.8
127.44605	1.2
129.01898	3.4
134.04710	1.8
143.03491	3.0
149.06337	1.5
159.02972	10.2
161.04547	43.9
162.04753	1.7
237.06111	1.3
237.09776	32.7
238.09927	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	237.1493
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
52.01453	0.4
53.82555	0.4
54.96006	0.4
57.03444	15.5
57.57228	0.4
59.01373	4.7
61.98800	0.4
71.01363	0.5
73.02956	0.5
83.05003	3.2
89.02428	0.6
96.95974	0.6
109.06577	1.3
110.23302	0.4
116.92841	0.4
122.03638	0.5
129.01898	0.5
131.83647	0.4
146.08748	0.4
149.09698	0.8
167.10771	2.5
167.12003	0.5
172.59288	0.4
177.12830	1.0
179.10756	3.4
192.89017	0.3
193.15955	2.6
195.13895	4.4
219.13881	1.3
230.81079	0.4
237.14926	100.0
238.15268	4.8
244.11777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85867	0.1
50.89451	0.1
59.01362	0.2
61.98821	0.4
69.83390	0.6
69.83804	0.3
70.16933	0.1
70.39587	0.2
71.86582	0.1
85.99194	0.1
96.96010	0.2
124.47433	0.1
134.03726	0.4
135.04445	0.4
136.05257	0.4
148.04085	0.3
148.05286	7.0
149.05780	0.4
149.09703	1.0
162.06824	0.3
175.07579	0.2
176.08382	0.7
177.09184	35.0
178.09515	1.7
190.09962	1.5
191.07091	0.2
191.10669	0.6
192.11536	28.3
193.11923	1.8
201.09164	0.4
203.07143	0.6
206.09404	0.2
217.08688	2.4
218.09444	7.2
219.09767	0.5
221.08038	0.2
236.10498	100.0
237.10884	6.3
237.14708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04674	1.2
55.01870	9.5
57.03448	6.2
58.00571	2.9
59.01373	70.7
69.03426	1.2
71.01375	92.7
71.62042	2.1
72.99290	5.4
73.02940	35.1
75.00863	3.1
83.01380	15.7
85.02945	44.4
87.00874	10.7
89.02429	16.0
95.01377	6.2
97.02933	3.3
99.00873	17.2
101.02434	100.0
107.01703	1.7
111.00867	3.2
112.98793	5.7
113.01684	2.4
113.02441	40.0
114.02824	1.3
115.00351	3.5
119.03487	4.3
120.99609	3.7
125.02402	2.8
127.44605	1.2
129.01898	3.4
134.04710	1.8
143.03491	3.0
149.06337	1.5
159.02972	10.2
161.04547	43.9
162.04753	1.7
237.06111	1.3
237.09776	32.7
238.09927	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	236.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75522	1.2
59.01366	5.3
61.98816	9.7
70.07624	6.2
71.01389	2.4
72.00914	1.6
72.99301	60.6
73.02947	1.7
74.99113	1.5
75.00886	1.9
78.95897	5.6
83.79329	1.2
85.02939	2.3
87.00865	39.2
88.04045	8.3
92.05050	34.3
92.05630	2.4
94.03014	2.3
96.95983	3.6
101.02441	1.5
101.04313	3.3
102.41847	1.2
103.15664	1.3
105.03792	6.4
106.04148	2.1
108.04564	3.3
110.25179	1.4
116.03495	1.4
116.05070	1.6
117.01909	1.6
118.02990	5.9
118.06644	5.9
120.04546	51.2
120.63650	1.3
127.07780	1.4
128.04156	2.2
128.05042	16.7
130.06618	24.9
131.03769	18.2
131.06963	3.4
134.06108	9.0
144.04533	88.9
145.04796	3.1
146.02460	38.6
146.06099	34.7
147.04530	2.1
147.06377	1.5
148.04042	38.6
149.04373	2.8
149.06389	5.4
156.04584	2.7
160.04005	3.1
162.05617	3.4
164.07149	4.1
172.04028	17.5
174.05583	54.0
175.05902	3.4
190.05075	24.5
191.05434	2.1
192.06621	4.3
192.10321	2.5
218.04552	14.2
236.05606	100.0
236.09357	6.0
237.06068	6.1
237.07991	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09023	0.2
52.61670	0.2
59.01372	7.3
59.96740	0.3
62.89894	0.2
67.01878	0.3
67.75066	0.2
70.85145	0.7
74.99062	7.1
79.08214	0.3
82.45228	0.2
89.45440	0.2
91.02206	0.9
93.00132	1.6
93.03453	1.4
118.96192	1.4
130.79590	0.2
134.99387	7.1
135.47394	0.2
135.99309	0.3
136.13347	0.2
136.56158	0.2
136.97305	1.4
141.07399	0.3
143.05263	0.6
149.00938	63.5
150.00883	2.3
150.98840	0.4
153.93851	0.2
159.08443	2.2
161.06369	3.0
173.04568	2.4
184.31828	0.2
188.02751	0.2
193.68742	0.2
196.86754	0.3
201.04100	0.4
209.05603	0.3
215.05551	1.3
215.09334	0.2
217.07178	88.7
218.07315	5.2
233.10304	100.0
234.10445	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	235.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.4
57.03439	5.8
58.00579	3.7
59.01375	77.5
60.01722	1.3
71.01376	83.0
71.05015	2.1
71.62568	1.2
71.62932	1.8
72.99305	5.4
73.02937	37.7
73.06583	2.4
75.00871	1.9
79.95770	1.4
83.01376	22.9
85.02946	45.3
86.00100	3.7
86.81152	1.1
87.00856	4.4
89.02436	5.5
93.59580	1.2
95.01386	5.6
95.68563	1.3
96.95427	2.0
96.95998	20.6
97.02946	2.8
99.00873	13.2
101.02435	100.0
102.02776	1.6
111.00859	2.5
113.02442	35.6
120.00572	1.4
123.13381	1.1
125.02435	2.0
129.01970	2.5
141.01849	1.2
143.03433	1.8
148.05377	1.2
159.02942	4.8
161.04520	21.0
176.01155	2.3
191.07121	2.8
235.06406	18.3
235.11827	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.5
57.03443	14.6
59.01377	100.0
62.10732	1.7
67.01883	7.7
68.99795	3.3
71.01370	49.4
71.61276	2.3
72.54343	1.5
72.99310	1.7
73.02945	8.9
73.50800	1.6
78.95891	15.7
83.01385	11.2
85.02945	11.9
85.30964	1.5
87.00890	3.2
90.02462	1.6
93.03467	8.2
96.96018	2.4
96.96967	33.4
99.00876	27.2
101.02431	1.8
111.00869	20.8
111.04519	1.7
115.00324	1.8
120.99590	2.0
129.01039	3.0
129.01933	31.9
129.05569	1.5
173.00880	4.0
173.04501	7.0
191.54854	1.7
215.09195	2.0
233.06664	3.6
233.10242	6.6
233.15524	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1028
Annotation	ascr#11
Peak:m/z	Relative Intensity
50.66837	0.4
51.14771	0.5
57.03436	0.6
58.00574	0.7
59.01375	100.0
60.01708	0.7
60.99293	1.4
67.01880	3.0
68.41819	0.4
69.03460	0.8
71.01367	3.7
71.61570	0.5
72.99300	0.6
73.02952	1.2
75.00870	1.9
83.05004	0.7
85.02959	0.9
88.04045	2.7
89.04370	1.2
93.03448	17.1
96.96027	1.5
97.02905	0.8
97.06590	8.8
99.00867	6.1
99.08146	6.6
109.06583	5.3
111.00889	0.7
111.04540	2.6
111.08138	2.4
111.74221	0.5
120.01250	0.8
125.06081	1.2
125.09712	3.4
127.07656	3.9
129.01942	0.8
129.09254	0.6
135.08191	0.7
137.06087	6.3
143.07097	2.9
143.10765	0.5
153.09213	7.1
155.07132	9.5
169.08696	1.6
171.10274	11.0
173.04564	20.4
173.08174	51.1
174.08557	1.8
179.07114	0.9
189.11270	0.6
197.08180	6.1
215.09207	16.1
216.09720	0.6
218.05962	0.6
233.10275	60.1
233.15413	32.9
234.10643	2.4
234.15720	1.7
245.71942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1599
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
56.38185	0.2
57.03440	1.2
59.01365	0.5
69.54774	1.4
87.04474	0.5
96.96011	3.7
98.19871	0.5
108.76997	0.2
125.09779	0.3
127.11296	2.5
134.03638	0.2
145.08704	0.3
149.80188	0.2
155.14394	0.8
169.11368	0.2
171.10268	4.0
183.13863	0.6
185.11884	0.5
185.15419	0.3
195.13896	0.7
195.15578	0.2
205.81427	0.2
213.11546	0.2
213.14955	4.7
229.14426	3.1
231.15988	100.0
232.16318	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	232.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67169	0.3
59.01376	26.9
64.70075	0.3
66.65311	0.3
67.01880	1.1
67.76610	0.3
71.01378	6.7
71.62407	0.5
72.00903	0.5
79.95745	1.0
80.96516	0.8
85.02962	0.4
85.06584	21.5
87.92558	0.5
88.04036	100.0
88.61794	0.3
89.04387	0.7
93.03445	5.6
95.04995	0.3
96.95995	0.6
97.06610	0.5
99.00893	1.0
99.08163	0.6
109.06583	0.9
111.04538	0.9
113.06085	4.2
116.03562	0.4
125.09715	0.6
130.08702	1.7
137.06071	0.9
139.29942	0.4
143.07114	0.9
153.09158	0.9
155.07106	1.1
160.09776	22.2
161.10187	0.6
169.47237	0.4
171.10277	1.7
173.04515	5.9
173.08162	5.3
191.05525	0.6
197.08177	1.1
215.09209	2.7
232.11880	19.0
233.06624	0.5
233.10243	8.0
233.12199	0.6
233.15431	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.52236	0.3
57.03442	0.9
59.01376	16.9
59.23717	0.3
67.34272	0.3
70.70663	0.7
71.05022	1.0
72.21497	0.3
77.74762	0.3
83.05046	0.6
85.02948	0.9
97.00843	0.3
97.06590	0.9
115.39726	0.3
117.21720	0.3
125.06057	0.6
125.09734	5.0
127.11282	3.8
139.11235	0.4
155.14403	2.4
165.12848	1.0
167.14439	1.5
171.10190	0.5
183.13905	0.8
201.11224	3.1
209.11824	2.0
211.13495	3.2
229.14415	100.0
230.14757	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.43383	0.3
52.09283	0.3
57.03432	0.9
59.01389	0.4
67.01892	0.3
69.58247	0.3
83.05009	0.5
84.02151	0.4
85.02952	0.8
97.06575	0.5
117.77625	0.3
125.09689	1.8
127.11295	3.6
155.14388	1.1
159.59160	0.3
165.12799	1.2
167.14407	2.0
171.10265	3.6
183.13887	1.5
185.07144	0.8
193.12308	0.7
209.11812	2.4
211.13387	9.1
212.13696	0.5
229.14412	100.0
230.14754	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01373	11.0
59.86803	0.3
63.95018	0.2
67.51267	0.3
69.27207	3.1
71.01366	0.3
71.05027	0.5
84.02150	0.5
85.02924	0.8
95.53526	0.3
97.06570	0.8
97.54513	0.3
97.88323	0.2
123.04581	0.3
125.06042	0.6
125.09709	5.0
127.11274	3.9
139.11273	0.4
149.48195	0.3
155.14381	1.8
155.59132	0.3
157.94456	0.3
165.12781	0.8
167.14401	1.9
169.12280	0.3
171.10188	0.4
183.13870	0.6
185.11742	0.3
185.15446	0.5
201.11263	3.7
204.04092	0.3
209.11827	1.2
211.09871	0.2
211.13458	4.1
229.14415	100.0
230.14780	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	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03448	0.3
69.35232	0.4
69.35633	2.0
83.05014	0.5
84.02151	0.5
111.08140	0.8
112.30354	0.3
163.11304	0.3
165.12828	21.1
166.13214	1.0
181.12372	0.3
183.13881	100.0
184.14278	3.9
191.10822	0.4
199.13425	0.5
203.94807	0.3
209.11810	7.1
227.12868	22.6
227.20169	0.5
228.13191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66783	0.3
70.90253	0.7
70.90627	0.6
75.91103	0.3
80.02661	1.4
81.03446	1.6
83.05016	6.8
84.02172	2.6
85.50999	0.3
95.05019	0.8
121.60284	0.3
125.06099	0.8
125.09714	0.4
135.08192	0.6
147.11842	0.5
163.11284	4.8
165.12820	3.3
178.14864	0.3
181.12308	0.6
191.10728	1.2
209.11803	100.0
210.12125	5.1
227.07069	0.5
227.12903	3.4
227.19063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01852	0.3
69.54012	0.7
69.54431	1.2
71.05010	0.4
80.02676	2.0
81.03446	1.8
83.01391	0.3
83.05024	6.6
84.02168	3.4
93.03438	0.3
95.05022	0.9
105.90874	0.3
109.06597	0.6
119.09871	0.3
125.06070	0.8
125.09714	0.4
135.08145	0.8
163.11282	4.9
164.46265	0.3
165.12828	3.3
181.12335	1.1
191.10715	1.2
209.11809	100.0
210.12115	2.7
227.12872	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	227.1287
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
57.03446	4.2
66.40359	0.4
69.03442	2.5
71.19039	0.5
71.19640	0.9
71.50327	0.5
73.02947	0.5
80.02696	0.5
81.03448	1.1
83.05017	5.2
95.05012	3.9
97.06580	22.9
109.06606	0.5
123.08228	1.0
125.09724	0.8
133.10231	2.6
135.08206	0.5
149.09691	2.1
151.11273	100.0
152.11615	4.0
177.09172	0.8
179.92546	0.5
183.13875	1.9
195.10260	14.5
196.10658	0.9
209.11842	5.0
213.11319	1.7
227.04784	2.2
227.12862	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	227.0924
Annotation	Depdecin
Peak:m/z	Relative Intensity
55.01865	1.2
57.03440	5.1
59.01366	3.5
63.07380	1.1
65.67941	1.0
69.03445	1.4
71.01364	6.5
71.57115	2.0
73.02940	1.3
75.79739	1.2
79.05528	3.0
83.01363	6.0
83.05049	2.0
84.02152	3.2
85.02935	17.7
87.00867	1.9
93.03487	1.3
93.07078	1.2
95.01397	1.9
95.05025	9.3
97.06578	31.0
98.02485	1.3
98.03743	7.6
99.00871	2.9
99.92599	1.5
101.02440	1.2
105.07106	2.0
106.04215	1.7
107.05011	5.9
108.02164	1.9
109.01683	1.8
109.06531	1.8
111.00861	10.3
111.04506	2.0
111.08141	10.9
112.98829	7.7
113.03559	5.1
119.04967	1.3
120.85946	1.0
121.02979	1.3
121.06568	5.3
123.04507	17.7
123.08135	2.6
124.01642	2.9
124.05299	2.5
125.02493	1.3
125.06068	4.1
125.09752	1.7
126.04327	1.6
129.01936	28.9
134.03676	2.6
135.08133	2.8
137.06097	2.8
137.09676	1.5
139.07631	84.7
140.07086	2.4
140.08029	2.4
142.99832	1.5
149.06064	27.0
151.07666	1.5
153.09204	3.8
156.10185	1.3
163.07664	1.5
165.05630	1.5
165.12822	2.0
167.07118	100.0
168.07468	2.6
173.00905	1.8
179.07176	1.5
181.08617	2.6
183.11409	2.9
183.13828	6.1
191.07008	2.0
209.08165	10.4
209.11739	5.3
210.07925	1.0
226.99834	1.2
227.09152	24.2
227.12852	3.9
227.16510	1.8
227.20160	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	225.113
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.22927	1.1
55.01876	1.1
56.66611	1.3
59.01374	12.1
62.66768	1.0
63.71985	1.1
69.03447	2.3
70.90364	2.3
70.90713	1.7
80.02663	2.6
81.03460	6.3
81.06493	1.1
83.05026	6.0
84.02144	3.7
93.03394	1.5
95.05014	1.5
96.48680	1.1
97.02939	10.9
109.06581	59.9
110.03718	6.4
110.06908	2.7
121.06548	3.7
135.08160	7.3
136.05280	2.0
142.02705	3.5
145.10162	1.2
151.84671	1.1
161.09665	3.0
163.11270	34.3
164.11536	1.6
179.10767	1.5
181.12297	15.5
207.10236	100.0
208.10562	4.9
208.90176	1.2
225.11288	82.7
226.11659	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	227.0923
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
56.57471	0.5
57.03439	0.5
59.01366	0.6
61.31454	0.3
66.37729	0.3
70.36276	0.7
70.36677	0.6
71.01375	0.9
72.58627	0.3
72.99303	100.0
73.99663	0.7
75.00874	2.6
81.03441	0.3
84.02142	0.5
85.02959	0.5
86.00093	0.6
95.01337	0.4
97.02952	0.5
97.06596	0.5
108.05799	0.4
109.06528	0.4
111.00864	0.5
111.04515	0.4
112.98793	2.2
113.06067	0.7
122.03777	0.6
123.04523	0.4
125.06114	0.5
125.69020	0.3
127.03870	0.3
129.01917	0.5
136.05310	0.4
137.02406	0.4
137.06061	0.8
138.06857	1.7
139.07663	3.1
151.07611	3.1
152.08418	3.9
153.09198	1.3
165.09193	4.4
165.12842	0.7
167.07201	0.4
183.13937	1.8
209.08177	2.8
209.11775	3.4
220.07819	0.3
227.09233	44.7
227.12904	1.6
227.20166	2.0
228.09618	1.7
229.47121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.4
69.03456	1.3
69.29112	5.4
69.29534	2.4
70.57047	0.9
80.02649	1.9
81.03462	4.8
83.05016	4.0
84.02148	2.4
93.03466	1.9
95.05019	1.7
97.02943	11.0
99.00887	1.2
107.05019	1.0
109.06582	47.4
110.03739	4.6
110.06924	2.0
119.63148	0.9
121.06580	3.0
135.08170	5.1
136.05309	2.0
137.04320	4.4
142.02740	4.2
145.10201	1.6
151.07631	1.4
161.09703	3.8
162.36235	0.9
163.11281	27.8
164.11633	1.1
165.09123	0.9
175.01549	0.8
181.12326	15.1
189.09206	1.2
195.02971	1.0
197.11832	1.4
201.21649	0.8
207.10246	90.9
208.10645	4.8
210.05244	1.3
213.54910	0.8
225.11299	100.0
226.11617	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	225.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22080	0.7
57.32058	0.7
59.01357	2.7
60.62550	0.6
61.57709	0.7
66.04284	0.7
70.90391	1.8
81.03429	1.2
97.02937	11.0
99.00840	4.2
109.06565	7.2
110.03722	4.7
110.06906	0.8
121.85116	0.6
123.04535	1.1
125.09735	1.3
130.09499	0.8
134.10583	0.6
135.08115	1.7
136.05247	3.1
142.02744	3.7
153.12810	1.0
161.09724	1.1
163.11281	12.3
164.11548	1.5
179.10796	1.2
181.12323	29.0
189.09171	1.0
197.11810	1.3
198.90067	0.7
207.10233	75.5
208.10512	3.5
212.89622	0.7
225.11288	100.0
226.11572	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	225.1131
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03443	2.2
59.01376	100.0
60.01715	1.2
69.24944	3.5
69.25353	0.9
71.07039	0.5
81.03445	0.9
83.05021	0.9
88.25202	0.4
91.73607	0.5
93.03460	0.7
95.05061	0.5
96.96047	0.8
97.06577	3.3
109.06492	0.4
123.08131	0.6
135.08148	1.9
137.09706	0.5
147.08133	3.3
151.11284	0.5
163.11296	0.7
165.01952	0.6
165.09212	1.6
181.12315	1.2
195.03116	0.4
207.10263	1.0
209.99791	0.5
225.07739	1.3
225.11296	42.4
226.11646	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	223.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20552	0.6
57.03431	0.8
59.01094	0.8
59.01373	14.4
60.01735	0.6
61.98824	1.1
69.03453	6.1
69.96816	1.1
69.97234	2.0
71.01392	0.8
71.05007	1.7
77.18585	0.5
81.03423	0.6
83.05041	0.8
85.06562	1.5
95.05003	1.2
96.95999	1.1
101.02442	1.1
108.05788	0.7
109.06586	0.8
110.93700	0.5
111.71842	0.6
122.27168	0.5
125.09712	1.1
135.11745	0.7
141.01642	1.3
141.09163	0.7
149.09720	1.3
161.13353	1.2
163.06093	1.5
167.10756	7.9
176.83632	0.7
177.12830	1.0
179.10855	2.9
179.14401	9.0
183.61523	0.6
193.01376	0.7
195.13876	24.8
196.14217	1.2
205.12315	21.3
206.12700	1.2
223.02716	1.2
223.13365	100.0
224.13680	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	223.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67675	0.8
55.77296	0.8
57.03433	2.0
59.01377	9.6
59.51786	0.7
63.46469	0.8
69.03448	6.8
70.89994	1.4
70.90337	1.8
71.05024	1.1
83.05007	1.5
85.06580	1.4
95.04987	0.9
97.69614	0.8
98.19938	1.0
108.05890	1.2
109.06593	2.2
121.67628	0.8
125.09724	2.1
149.09720	1.4
167.10776	8.9
167.42621	0.9
177.12947	1.0
179.10789	3.5
179.14388	8.5
187.11223	1.4
195.13881	24.1
196.14267	1.2
205.12312	24.2
223.13368	100.0
224.13721	5.6
230.22417	1.0
234.65503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0562
Annotation	2-Amino-2-deoxyisochorismate
Peak:m/z	Relative Intensity
59.01374	20.9
71.62533	1.2
71.62927	1.8
74.70966	1.0
80.05058	12.4
83.35205	1.1
86.04287	0.9
91.05542	1.9
92.05051	1.5
93.03454	3.5
96.96014	7.8
96.96555	1.2
98.80731	1.1
103.04273	8.5
106.06602	7.6
108.04549	19.6
108.08189	8.9
109.06575	1.7
118.06622	69.0
119.06989	1.7
121.05318	4.5
134.06097	2.9
136.04060	2.4
136.07664	35.6
137.08067	1.3
142.16953	1.1
144.04500	1.8
152.07161	38.4
152.08397	2.3
159.54855	1.1
162.05667	1.7
163.31342	1.0
180.06642	100.0
181.07010	3.3
207.10255	1.3
224.05531	28.7
224.09007	2.4
225.00375	1.3
225.07903	4.6
225.11273	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	221.0453
Annotation	K 251-1
Peak:m/z	Relative Intensity
59.01376	41.1
69.03472	0.5
71.01362	1.1
71.23056	1.3
73.02938	2.5
74.92850	0.5
85.02947	0.7
87.00856	0.7
89.02462	0.8
93.03454	1.7
95.50239	0.5
101.02431	0.9
107.01380	3.1
119.01389	1.8
134.11748	0.6
135.00882	10.7
147.00899	0.9
150.03235	0.9
156.83342	0.6
161.04555	3.0
163.00354	21.4
164.00670	0.9
165.12917	0.5
173.04547	2.9
178.02591	0.9
178.53711	0.5
180.68954	0.5
190.99844	84.2
192.00174	2.2
206.02185	100.0
206.76024	0.6
207.02553	3.5
221.04529	29.0
221.11772	0.8
222.04762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0454
Annotation	K 251-1
Peak:m/z	Relative Intensity
51.02381	0.4
51.53466	0.3
54.63344	0.3
55.49189	0.3
58.90400	0.3
59.01376	26.3
60.21935	0.2
69.03439	0.6
71.01370	0.6
73.02966	1.5
79.01898	0.5
83.01382	0.5
85.02938	0.6
89.02449	0.5
96.92029	0.3
97.08910	0.3
101.02415	0.9
103.50623	0.3
107.01387	3.3
119.01395	1.3
119.17604	0.3
135.00876	9.4
136.01186	0.3
143.03487	0.3
147.00841	0.9
150.03178	0.7
161.04559	1.9
162.03169	0.3
163.00357	23.5
164.00693	0.8
177.01993	0.5
178.02580	0.4
190.99843	89.6
192.00204	3.3
204.99519	0.3
205.01421	1.0
206.02179	100.0
207.02504	3.4
221.04529	33.6
222.04796	1.3
241.20667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.5
65.62975	0.2
69.31187	1.3
69.31619	0.9
71.01378	0.7
73.02940	1.0
73.72054	0.2
85.02936	0.5
87.00869	0.9
87.02735	2.3
98.20618	0.5
101.02441	0.4
113.02377	0.2
115.01962	0.2
119.51274	0.2
120.16565	0.2
131.03462	0.4
131.05374	1.8
133.06921	100.0
134.07275	1.9
161.04533	1.3
190.99863	0.9
206.02185	0.7
214.97574	0.2
221.08505	22.5
222.08862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33260	0.4
57.47028	0.4
59.01373	12.5
69.72205	0.3
70.09753	1.0
70.10160	0.7
71.01363	0.4
73.02924	0.8
78.74998	0.3
87.00898	0.8
87.02708	2.6
92.43381	0.3
101.02425	0.4
113.52834	0.4
131.05360	1.3
133.06917	100.0
134.07246	2.3
141.58533	0.3
161.04518	1.0
190.99931	0.4
206.02112	0.4
221.08499	22.5
222.08780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04860	1.8
59.01376	100.0
61.98815	5.8
69.29959	7.3
69.30389	8.9
71.15974	1.6
83.03242	1.6
112.27103	2.0
113.45390	1.8
154.54665	1.7
159.56711	1.7
197.15137	1.7
204.04265	4.0
219.03000	2.3
219.06667	1.9
219.17513	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	221.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	43.0
63.00242	0.5
70.32790	1.0
70.33187	1.1
71.01389	1.0
73.02938	3.0
79.01893	0.6
82.80611	0.4
83.01393	0.5
85.02941	1.2
89.02450	0.4
91.01905	0.8
93.03435	0.4
97.02954	0.6
97.27828	0.4
97.59106	0.4
101.02433	1.3
102.64366	0.4
107.01378	4.0
113.02451	0.8
119.01396	1.6
131.03528	0.8
135.00868	10.2
147.00937	0.7
150.03206	1.6
161.04532	3.0
163.00363	25.1
164.00714	1.0
177.01956	0.8
177.05502	0.6
190.99849	89.6
192.00223	2.9
205.01384	1.0
206.02187	100.0
207.02495	4.4
221.04526	33.6
221.11734	0.6
222.04861	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	219.0772
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.98023	2.6
59.01376	6.2
61.98811	3.3
66.85234	0.8
67.55976	0.7
71.16659	1.9
72.00530	1.0
72.00904	12.8
74.02467	33.0
83.05045	0.9
85.10224	0.8
86.02467	6.3
88.18221	0.7
91.44885	0.7
92.05068	2.0
96.95982	1.2
98.95599	2.3
101.04293	1.8
101.44684	0.9
116.05029	1.1
118.06609	4.5
120.04567	1.0
120.81507	0.9
128.05008	0.8
130.06598	2.7
131.03726	3.5
132.04543	91.6
133.04855	2.1
143.10814	1.0
144.04538	58.4
146.06039	0.8
149.06367	1.1
157.07701	35.5
158.06085	10.2
158.08096	1.0
175.07320	1.5
175.08746	21.5
201.06689	9.0
202.05063	1.5
219.07729	100.0
219.12173	9.5
219.17461	10.8
220.08018	3.4
239.46428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0773
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
59.01371	1.7
61.98833	0.4
69.03452	0.4
73.02924	0.3
74.02469	0.4
82.02977	0.3
82.93307	0.2
86.02464	1.0
92.05061	1.8
100.76176	0.3
101.02413	0.3
116.04991	0.5
120.04543	0.6
128.05048	0.7
129.12289	0.2
130.06619	1.9
131.03751	1.2
132.04546	1.1
134.06114	1.0
144.04546	1.5
146.04874	2.5
146.05933	0.5
156.06909	0.3
157.07697	100.0
158.06129	0.6
158.08064	4.0
175.08752	2.8
181.18619	0.2
201.06691	4.0
201.08528	0.3
219.07741	14.7
219.12225	1.5
219.17487	2.4
219.96968	0.2
220.08057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1079
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
59.01374	27.9
68.06432	0.4
69.47835	3.3
79.93835	0.4
93.03449	0.5
110.83921	0.4
113.09686	2.0
123.57675	0.5
125.09721	1.3
127.11263	1.7
128.38194	0.5
137.09720	2.9
153.09157	0.8
155.10762	33.5
156.11070	1.2
157.08667	1.3
170.71846	0.4
171.10248	46.2
172.10600	2.0
174.99243	0.7
181.08708	0.6
194.64473	0.4
199.09731	5.7
217.10770	100.0
218.11104	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	218.1032
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.99182	0.5
59.01379	4.3
62.43956	0.4
71.01379	9.8
71.05016	15.5
71.60894	0.7
71.62132	0.4
72.00905	0.5
72.05367	0.4
78.46294	0.5
88.04034	100.0
89.04366	1.5
99.04516	5.1
104.83306	0.4
107.78801	0.4
116.07166	2.2
118.52003	0.4
126.80015	0.5
129.05568	1.0
137.72656	0.5
146.08217	45.3
147.08562	1.0
151.29428	0.4
158.54604	0.5
174.01950	0.8
175.99486	0.7
218.10298	30.7
219.10655	1.6
219.12515	0.5
219.17474	0.8
224.82494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0922
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.13286	0.7
59.01381	2.4
69.35300	6.8
71.01370	1.3
78.18741	0.7
79.95731	0.8
80.96516	3.2
87.00871	0.9
88.25824	0.7
111.88667	0.8
123.08147	0.9
125.09706	7.2
126.92076	0.7
126.95374	0.8
127.11277	3.8
130.98642	0.7
143.10782	6.9
144.00876	2.3
153.09184	4.0
155.07117	2.5
165.51009	0.6
167.21533	0.7
171.10257	100.0
172.10577	3.2
194.46652	0.8
196.95755	0.8
202.16934	0.6
204.93665	0.7
214.96834	1.7
215.00990	17.6
215.09219	91.8
216.01328	1.1
216.09541	3.2
227.28499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01385	0.6
67.12569	0.2
70.63885	0.5
103.59900	0.2
106.02138	0.2
128.57430	0.2
130.98909	0.2
147.25246	0.2
160.84964	0.2
165.12819	0.3
167.14236	0.2
177.12839	0.3
183.13884	25.2
184.14278	1.1
195.13884	21.1
196.14171	1.5
211.13351	0.7
213.14938	100.0
214.15291	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	214.1083
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
55.01880	1.3
57.03444	2.5
59.01389	1.1
67.34800	0.4
69.42263	3.4
72.04544	20.6
82.06617	1.0
83.01391	2.1
102.05608	2.9
106.32858	0.4
110.06098	0.8
117.34571	0.4
124.11374	0.5
140.10797	5.9
142.12364	100.0
143.12738	3.0
144.00896	1.1
161.41537	0.5
168.10287	42.3
169.10641	1.3
170.11850	45.5
171.02155	0.5
171.12183	1.5
186.11229	0.6
214.10829	49.3
215.00987	9.6
215.09222	1.1
215.11163	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	215.0711
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
50.35587	0.2
59.01381	0.9
65.40933	0.2
69.97132	0.6
71.01402	0.5
83.26202	0.2
87.00912	0.6
89.02479	0.7
101.02427	0.4
122.89446	0.3
125.09713	0.2
144.00928	1.6
153.12860	5.1
171.01985	0.3
172.05327	2.4
187.07620	0.4
197.11835	5.3
198.12099	0.3
200.04784	27.3
201.05145	1.5
215.01054	10.4
215.07109	100.0
215.12811	11.6
216.01259	0.5
216.07486	4.9
216.09999	0.2
216.10316	0.2
216.13213	0.5
223.64578	0.2
232.03754	9.2
233.04117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09536	0.4
57.03402	0.4
59.01372	2.3
60.83645	0.4
69.03464	1.1
70.99712	1.2
76.50480	0.5
83.64281	0.4
84.02113	0.6
97.06584	1.0
125.09689	1.0
135.69418	0.4
137.09697	1.5
151.11275	14.3
153.09209	1.3
165.26212	0.4
168.98923	1.7
169.12318	100.0
170.12669	3.8
171.10283	0.8
181.08670	1.8
183.13898	3.1
185.11745	0.6
195.10263	1.3
195.13841	2.5
197.99159	1.2
213.05653	0.7
213.11313	20.0
213.14890	13.8
213.18396	1.0
214.11671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03443	3.5
58.28372	0.3
59.01377	0.5
59.96811	0.4
63.49636	0.4
67.99578	0.4
69.03448	0.7
71.05040	0.4
71.62630	0.5
75.03558	0.4
83.05032	0.9
85.02994	0.3
85.06576	0.6
98.11800	0.4
109.06600	0.4
111.08150	5.8
123.08151	35.4
124.08492	1.2
125.09704	4.8
137.09712	6.8
139.11278	60.3
140.11594	1.9
149.09732	0.4
150.38557	0.4
151.11267	9.8
152.11571	0.4
153.09206	1.0
155.10835	0.5
167.10686	2.4
169.12325	6.3
181.01668	0.4
183.13901	1.1
185.11813	1.5
195.13971	0.9
195.77258	0.4
197.99214	0.9
212.18982	0.5
213.01459	1.0
213.11298	100.0
213.14848	5.3
214.11635	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	213.113
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
69.03462	0.6
69.52545	2.5
69.52956	0.7
71.01373	0.4
97.06585	1.1
97.28372	0.4
98.19826	0.6
99.33205	0.3
125.09704	0.4
137.09660	0.8
151.11272	12.0
152.11618	0.6
153.09181	0.8
168.98889	0.8
169.12320	100.0
170.12674	3.9
181.08725	0.9
183.13974	0.5
185.11797	0.4
195.10315	0.8
195.13826	0.7
197.99068	0.4
213.11293	22.8
213.14647	3.6
213.18471	0.4
214.11612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
64.61421	0.3
69.03442	0.7
69.80985	1.0
69.81403	0.9
71.01357	0.4
71.85545	0.3
83.05021	0.6
84.32288	0.3
84.79417	0.3
85.02928	0.3
98.19892	0.6
151.06114	1.8
151.07239	0.3
155.10770	0.6
163.22382	0.3
165.12833	0.5
167.10716	0.7
167.14380	1.0
170.71442	0.3
183.13885	12.9
184.14201	0.6
193.12311	3.8
200.46614	0.3
211.13373	100.0
212.13692	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	211.1338
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.65068	0.2
58.22395	0.2
58.22683	0.3
59.01372	0.7
61.60414	0.2
65.27868	0.3
69.03454	1.0
69.28682	1.8
69.29094	0.8
83.05020	0.4
101.02454	0.4
123.00919	0.3
151.06067	0.7
155.10735	0.4
162.47131	0.3
165.12813	0.5
166.64305	0.3
167.10765	0.4
167.14371	1.3
181.05243	0.3
181.12347	0.3
183.13882	13.8
184.14207	0.8
193.12308	3.5
211.13373	100.0
212.13719	5.9
222.14375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.118
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03446	3.1
59.01375	100.0
60.01741	0.6
69.41315	1.2
69.41724	2.8
81.03472	0.9
95.14994	0.5
97.06586	2.3
105.46275	0.4
109.06585	4.1
116.46526	0.6
120.02212	0.5
121.02949	11.3
124.04037	0.8
128.29210	0.5
149.09813	0.5
163.11273	0.9
165.12831	4.8
209.04501	1.6
209.11810	23.1
210.12149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
59.01389	1.3
61.67796	0.4
61.98822	2.1
64.01914	0.6
71.01395	0.5
71.16632	0.5
71.16965	0.4
72.99310	0.7
76.58407	0.4
77.03951	0.4
78.95916	1.1
82.53101	0.4
85.06594	0.6
88.48631	0.4
92.05078	0.9
94.02962	0.5
95.97654	0.5
96.96004	0.9
102.39577	0.4
103.04275	2.5
103.92020	0.4
104.05060	37.3
105.05396	0.7
108.04577	0.4
109.02992	0.4
111.04493	0.6
114.74527	0.4
120.04552	6.9
120.05418	0.6
122.06126	1.2
124.04042	3.6
125.02435	0.5
129.05559	3.6
129.12141	0.4
135.73618	0.3
139.07532	0.4
148.01601	1.4
148.04034	57.7
149.04391	2.4
151.03970	0.5
151.06107	1.3
152.91731	0.5
153.05614	2.0
163.03996	1.7
165.01845	0.5
166.05080	100.0
166.91068	1.6
167.05444	2.7
181.05051	1.8
196.03725	0.4
209.94881	0.9
210.04041	15.7
210.07645	1.6
210.11998	0.6
211.04277	0.8
211.06049	1.4
211.13312	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	209.118
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01871	2.6
57.03438	1.9
59.01392	1.2
60.53310	0.3
61.23539	0.3
62.15889	0.3
69.03442	1.1
69.94898	0.8
69.95306	0.6
71.01374	0.8
71.05021	0.7
80.02660	0.9
81.03452	3.6
83.01382	23.8
83.05016	3.6
84.01711	0.5
84.02171	1.1
88.44624	0.3
91.36184	0.2
92.99816	0.7
93.03445	1.2
94.02975	0.6
95.01341	0.3
95.05013	1.2
97.02958	0.3
97.06591	3.7
106.04247	0.4
107.05122	0.3
108.02180	0.3
109.06580	0.5
110.03716	0.4
111.08167	0.4
119.57578	0.3
120.02200	0.3
120.86243	0.3
121.02950	21.3
122.03287	0.7
123.08148	1.4
124.04025	1.7
125.06104	0.3
125.09715	20.0
126.10020	0.6
128.46739	0.3
134.03749	0.4
135.04498	0.7
135.08133	2.0
137.06073	0.6
142.02687	0.4
147.11781	0.8
149.09743	0.4
155.93163	0.3
161.09645	0.6
163.11284	9.3
164.11601	0.4
164.98280	0.3
165.05598	0.3
165.09192	0.4
165.12831	3.1
167.10777	0.7
173.09714	0.4
181.12292	2.1
191.10756	7.0
194.05898	0.4
209.04495	4.3
209.11809	100.0
210.07898	0.4
210.12146	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Pulchellon
Peak:m/z	Relative Intensity
51.57517	0.6
55.01866	0.8
57.03456	3.7
59.01376	4.4
61.98825	15.0
65.03934	0.6
69.03455	2.5
69.82504	3.3
71.01376	14.9
71.05031	1.3
73.02941	2.0
79.95620	0.6
80.02683	1.5
80.91675	0.6
81.03455	2.4
83.01374	7.1
83.04998	3.3
84.02159	2.0
85.02916	0.7
92.99807	2.2
93.03444	2.4
94.02967	1.9
95.01394	1.4
95.05017	2.7
96.95997	0.8
97.02906	0.7
97.06574	3.4
98.19959	1.1
107.05037	0.8
108.02184	0.9
111.08123	2.1
118.94158	1.0
120.02168	1.0
121.02950	65.8
122.03289	2.3
123.08171	1.7
124.04045	5.4
125.02475	0.9
125.09727	10.2
134.78719	0.6
135.04509	1.1
135.08136	1.4
136.01653	0.7
136.98843	0.6
137.06046	1.1
137.09756	1.4
144.00601	0.7
145.10193	2.3
147.11783	1.9
149.02499	0.8
149.06029	0.6
149.09763	0.7
151.11276	21.7
153.12822	3.2
161.09717	1.6
163.11275	9.5
164.98299	1.3
165.05600	1.1
165.12823	17.7
166.13210	0.6
167.10725	0.7
173.09654	1.4
179.03494	1.1
179.10725	4.2
179.71487	0.7
181.05074	0.9
181.12326	38.1
181.53795	0.6
182.12672	1.6
191.10762	16.4
194.02223	1.2
194.05908	1.0
209.04523	12.1
209.11807	100.0
209.94885	5.6
210.04924	1.1
210.07736	1.2
210.12186	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.118
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01368	1.3
61.98516	0.4
61.98825	6.7
69.03439	0.4
70.20091	0.8
70.20500	0.5
73.02919	0.4
83.01363	0.7
83.05029	0.7
92.99807	0.7
93.03439	0.7
94.02979	0.4
95.05067	0.3
96.96009	0.8
98.19960	0.6
101.73948	0.3
118.94194	1.0
120.02158	0.5
121.02946	27.1
122.03268	0.9
124.04025	1.2
125.09675	0.3
135.04507	0.4
137.02385	0.4
137.06029	0.4
139.04041	0.4
154.06502	0.3
163.11301	0.4
165.12822	0.8
167.10707	0.4
179.03540	0.4
181.05101	0.5
181.12286	0.5
191.10739	1.0
194.05930	0.4
209.04544	5.5
209.11806	100.0
209.15356	5.1
209.94862	2.3
210.04770	0.4
210.12173	4.3
224.97464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.20977	0.6
53.22707	0.6
58.02971	34.6
59.01374	5.0
70.02977	11.1
70.63283	2.0
72.00901	5.0
91.05525	9.6
99.00845	0.7
103.05557	1.2
107.01380	1.7
119.01428	1.0
129.01965	0.7
135.00887	3.4
139.57195	0.6
147.00908	0.8
147.04501	35.4
148.04829	1.2
149.71805	0.6
162.09190	1.6
163.00356	4.9
164.07144	100.0
165.07501	4.0
173.04535	0.8
177.01927	1.2
181.08784	0.9
190.99846	11.0
192.04266	1.5
206.02162	2.9
206.08195	45.8
206.16197	0.7
207.06618	0.9
207.08496	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	209.1182
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.89539	0.7
57.03453	4.0
59.01377	8.6
65.65524	0.7
69.03450	19.0
69.83390	3.3
71.01374	0.7
71.05035	3.7
83.05019	2.6
93.03458	1.2
95.05022	1.5
97.06574	1.3
108.05801	1.7
109.06588	1.2
111.08152	4.1
121.02942	10.0
121.10241	1.3
124.04021	0.8
127.07658	1.1
135.08127	1.9
139.07632	1.5
147.11757	2.1
153.09178	5.8
160.04594	0.7
163.11256	2.7
165.09201	3.5
165.12831	18.8
166.13132	1.2
173.09686	1.5
181.12329	21.8
182.12628	0.9
191.10754	29.1
209.04512	1.5
209.11807	100.0
210.12201	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1594
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01375	1.2
61.98811	0.3
62.31113	0.1
71.01369	0.6
71.46590	0.1
72.99289	0.3
83.11942	0.1
86.38906	0.1
87.00853	0.3
99.00871	0.3
106.12594	0.1
115.00369	0.7
133.02913	0.2
133.06493	0.1
142.99837	0.2
162.89317	0.2
189.12851	1.7
198.11053	0.2
205.15936	100.0
206.16286	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38977	0.8
54.26378	0.7
54.42268	0.8
58.02969	75.5
59.01370	7.9
69.49178	5.1
70.02973	11.5
72.00895	4.8
91.05525	9.2
99.00799	0.9
121.02965	0.8
129.01843	1.2
135.04497	1.8
147.04509	35.4
148.04866	1.2
162.02786	2.1
162.09227	1.3
163.00323	2.0
164.07144	100.0
165.07498	3.4
177.01892	2.7
190.99834	5.1
192.04298	2.4
206.02020	1.1
206.08191	58.0
207.06660	2.0
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	203.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53621	0.1
59.01374	14.8
60.01709	5.5
60.02027	0.2
61.01806	1.8
61.98824	100.0
62.02116	0.1
62.98530	0.2
66.80304	0.1
66.88902	0.1
69.23048	0.6
69.23473	0.5
71.01379	0.2
81.25021	0.1
142.17711	0.1
143.86493	0.2
159.03326	0.1
160.03661	0.5
161.01138	0.2
161.87543	0.1
162.01585	0.4
178.55104	0.1
203.99893	1.0
204.02628	3.2
204.10147	0.1
205.02895	0.2
205.15846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50193	0.1
59.01375	12.3
60.01708	5.1
61.01803	1.7
61.02081	0.1
61.98825	100.0
63.99635	0.1
70.03844	0.5
71.01381	0.2
72.99310	0.2
77.92270	0.1
85.02956	0.1
91.54921	0.1
115.00399	0.2
143.86528	0.6
160.03650	0.7
161.06102	0.1
161.87599	0.3
162.01636	0.3
178.75200	0.1
203.93617	0.1
203.99992	1.2
204.02753	3.0
205.02821	0.2
205.16014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.0
55.86586	2.2
57.03444	10.4
58.00583	3.7
58.02987	2.6
59.01375	79.6
60.99316	2.6
67.01891	3.5
68.99815	9.0
71.01377	89.6
71.37479	2.1
72.99301	49.3
73.02937	15.6
75.00866	32.9
80.78741	2.2
83.01370	21.7
85.02953	9.9
87.00871	49.1
88.98835	4.0
89.02439	13.2
94.88396	2.2
96.99324	6.0
99.00871	53.9
99.04510	3.4
100.20239	2.2
101.02439	13.4
103.00352	6.7
111.00865	49.0
112.98804	100.0
115.00368	83.6
117.01943	17.3
118.03316	3.6
124.98759	12.8
125.02433	12.4
127.00354	9.5
129.01936	17.8
135.04739	1.9
142.99846	18.6
143.03459	2.2
145.01427	29.9
154.99873	14.0
157.01404	4.6
173.00914	10.9
175.02484	5.2
187.02455	3.4
205.03540	8.5
205.07121	7.2
205.08923	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	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.9
57.03428	6.1
58.00585	2.4
59.01093	2.4
59.01374	45.2
60.99302	3.2
67.01877	3.8
68.99792	5.8
71.01377	52.0
71.38180	2.4
71.38503	2.2
72.99298	28.2
73.02936	10.6
75.00864	21.0
83.01383	12.2
84.99306	1.8
85.02951	8.6
87.00866	18.9
88.98798	3.9
89.02428	10.5
94.95673	2.1
96.99293	2.5
98.00075	2.0
98.19918	1.9
99.00869	46.5
100.98820	3.1
101.02424	5.2
103.00345	3.5
111.00880	19.2
112.98801	100.0
115.00369	50.4
117.01941	13.0
124.98775	4.8
125.02381	5.6
127.00372	4.8
129.01924	14.0
133.01454	4.1
136.98157	2.2
142.99811	12.4
145.01422	14.7
154.99835	6.6
157.01364	2.4
157.15961	2.1
173.00836	7.1
175.02441	5.4
205.03532	4.3
205.15913	3.1
212.70305	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	203.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24077	0.8
59.01365	2.2
69.56045	0.6
70.92324	1.3
72.00568	0.5
72.00902	26.6
74.02464	29.6
74.02885	1.5
76.18610	0.6
80.32021	0.7
93.95123	0.7
109.42563	0.6
116.05053	100.0
117.05395	2.9
120.88590	0.7
130.06601	2.9
142.06610	27.5
143.06923	1.0
159.09273	20.4
160.09613	1.1
161.04749	1.1
186.05621	4.0
186.06969	0.7
203.08235	79.9
204.08585	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	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20373	0.3
50.35119	0.3
53.00000	0.3
55.46440	0.3
57.73498	0.3
59.01376	100.0
60.01717	0.6
71.01404	0.4
71.07952	0.6
81.06512	0.3
83.05062	0.4
91.60200	0.3
95.68527	0.3
99.08150	7.9
102.51466	0.3
125.06074	0.8
141.56392	0.3
143.07132	5.1
161.08286	0.6
203.01999	0.4
203.07291	0.3
203.09206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1285
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
51.02385	0.3
57.03442	0.4
59.01374	6.0
69.03461	0.5
71.01373	2.0
71.17754	0.7
72.99319	0.4
83.01376	0.4
90.72867	0.3
93.89417	0.3
96.82452	0.3
97.02956	0.6
103.92025	0.4
113.02454	0.3
125.02354	0.3
125.09711	0.6
127.11283	12.4
128.11603	0.4
139.11357	0.8
143.19775	0.4
155.10762	7.7
157.12323	44.0
158.12711	1.5
185.11771	0.7
201.11281	0.7
203.12854	100.0
204.13188	4.7
208.64618	0.4
218.57466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55334	0.2
51.81863	0.2
58.99601	44.2
59.01373	3.3
59.99922	0.4
69.03461	0.4
69.43430	1.0
69.43839	0.6
71.01381	0.6
85.01182	0.2
85.02982	0.3
87.00872	14.3
87.02731	2.4
88.01221	0.2
97.02924	0.7
98.19910	0.5
101.93080	0.2
102.98605	3.1
105.88622	0.2
112.98802	0.2
115.05866	0.4
115.78387	0.2
131.05357	1.7
133.06924	100.0
134.07278	2.4
157.12369	0.2
159.04498	0.2
159.08327	0.3
203.01961	0.5
203.03505	0.5
203.07465	4.8
203.11760	0.5
203.12958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0825
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.03012	0.7
55.13276	0.7
71.07380	1.3
72.00904	26.3
74.02470	30.0
85.15134	0.8
90.47505	0.7
93.49442	0.7
101.27817	0.7
116.05055	100.0
116.89132	0.7
117.05383	2.4
130.06592	2.4
131.27473	0.7
132.08202	1.1
142.06609	27.0
142.07738	1.3
143.07010	0.8
159.09271	18.5
186.05582	4.3
192.84979	0.7
203.08240	74.0
204.08551	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	201.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30021	0.4
57.03424	0.4
59.01374	87.1
60.01721	1.0
69.35245	3.5
71.05019	0.5
72.83236	0.5
78.75745	0.4
99.04512	0.5
111.08163	0.5
113.09717	29.1
114.10048	0.7
125.09698	0.9
139.11299	0.8
141.09207	17.8
142.36552	0.5
157.03578	0.5
157.08694	0.7
157.12357	0.5
159.01488	0.6
159.10249	100.0
160.10582	3.6
164.83542	0.9
173.06091	0.8
201.02539	2.1
201.05496	1.3
201.11275	4.8
202.05019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.113
Annotation	Dimethyl suberate
Peak:m/z	Relative Intensity
50.79555	0.3
51.53694	0.4
52.96542	0.3
54.46260	0.3
57.03443	3.6
59.01373	10.9
69.03456	0.8
69.60537	2.1
71.05025	0.5
83.05014	0.5
95.05038	1.1
97.06582	13.2
98.20724	0.4
99.04587	0.3
123.08148	6.3
125.09711	100.0
126.10032	3.2
139.11241	0.8
139.54247	0.4
157.03502	0.7
159.10246	0.6
164.83577	1.9
166.83299	0.7
169.08627	2.7
173.06111	0.5
187.09689	1.1
201.02383	1.2
201.05563	0.6
201.11298	16.8
201.14810	0.8
201.80188	0.7
202.11440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74630	1.6
57.03431	3.5
59.01385	3.7
69.03451	53.6
69.03832	2.6
71.01374	42.0
71.53330	3.1
72.99298	6.8
75.00865	3.1
79.01885	19.2
83.01392	1.8
85.02951	7.7
87.00886	10.8
92.95996	11.6
95.01370	7.8
97.02948	81.3
99.00855	2.3
111.00863	3.0
111.32896	1.7
113.02464	2.1
115.00368	8.4
118.79411	1.9
123.00846	4.3
128.89195	6.6
129.01909	3.6
129.95541	3.2
141.01926	17.7
141.99124	2.3
147.96579	3.3
157.98643	8.1
175.99692	15.0
178.01228	11.2
185.98129	57.5
203.01965	100.0
203.99171	66.7
204.02180	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	203.0195
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02361	1.4
57.03434	3.7
59.01376	8.1
59.41397	1.1
60.99273	1.3
67.01872	1.5
69.03449	61.0
71.01376	44.3
71.31588	1.4
72.99311	7.6
75.00854	3.7
79.01888	16.8
83.01347	1.5
84.04606	1.0
85.02943	9.5
87.00867	13.0
88.04034	2.3
95.01372	7.9
97.02943	81.9
97.06595	1.5
98.03262	1.9
99.00881	3.1
101.02418	1.2
105.01915	1.3
111.00847	3.3
113.02414	4.0
114.01980	1.3
115.00381	9.1
115.04045	1.0
115.07623	2.7
123.00880	3.9
125.02401	1.6
129.01930	4.7
141.00844	1.0
141.01930	19.3
141.05562	6.7
143.07103	3.9
159.02977	2.0
161.08160	8.1
185.04512	4.2
194.97224	1.0
203.01949	100.0
204.02246	2.7
204.09048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03442	5.3
59.01376	10.5
66.28373	0.5
69.74939	1.0
69.75349	2.2
71.04991	0.6
83.04987	0.7
99.44912	0.7
111.08147	5.4
120.51427	0.6
125.09723	1.3
134.54579	0.6
137.09711	1.9
139.11278	95.7
140.11641	3.2
157.03600	0.6
157.12350	1.7
173.05991	0.6
183.10242	44.6
184.10551	1.7
201.02515	1.6
201.11293	100.0
202.11632	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	199.1338
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.76833	0.4
53.74025	0.5
57.03458	0.4
59.01375	1.7
67.01884	0.6
69.19479	0.4
69.89501	2.2
71.05006	1.6
73.02953	0.7
80.68073	0.4
83.01381	1.0
83.05042	0.5
85.02939	0.7
98.19952	0.8
99.00867	1.4
99.08139	0.7
105.40713	0.4
108.39896	0.5
111.00862	0.8
113.02440	2.6
127.00410	0.5
127.03986	1.2
132.53281	0.4
136.98804	0.6
155.10774	2.2
162.83949	2.6
163.11302	1.4
164.83607	1.9
169.12318	5.0
181.12325	18.5
182.12683	1.3
197.11829	1.9
199.06087	1.2
199.09654	2.0
199.13383	100.0
199.80508	2.4
200.13664	2.7
201.66391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0767
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
50.96132	0.4
57.03442	0.6
59.01374	100.0
60.01692	0.6
60.04867	0.4
64.18871	0.4
65.60883	0.4
71.05064	0.4
71.61062	0.5
73.02918	0.4
78.80151	0.3
79.05521	0.7
83.05016	0.4
85.06609	0.6
86.02723	0.4
87.00883	0.8
87.04530	0.7
95.01365	0.4
95.05019	0.7
96.01057	0.3
97.06576	7.0
111.08171	0.8
125.09758	1.1
129.05695	0.5
130.06642	0.9
131.05305	0.5
132.38951	0.4
138.31894	0.4
139.07642	4.7
139.11273	0.8
141.05554	3.2
144.04507	0.5
146.06125	1.0
157.08687	27.9
158.06097	7.3
158.09042	0.8
174.05600	1.4
183.06616	1.0
201.02461	1.2
201.05774	0.9
201.07645	9.4
201.11252	3.2
202.05069	1.0
202.08026	0.5
206.56268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.113
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.01875	0.9
57.03447	4.3
58.00581	2.0
59.01378	2.8
61.48368	0.5
69.03452	2.8
69.26620	4.5
71.01374	0.8
71.05016	5.0
72.99308	0.8
73.02932	1.5
80.20376	0.4
81.78939	0.4
83.04995	0.7
85.02960	3.2
87.04504	7.4
95.05184	0.4
101.02470	0.7
113.02448	5.2
121.10232	2.3
125.09708	6.3
127.11270	9.6
128.11552	0.5
130.02744	0.5
131.03488	3.4
137.09688	2.0
139.11275	6.8
153.09135	0.6
155.10748	4.4
155.92828	0.4
157.12332	0.5
165.09163	4.9
171.10236	3.4
172.88390	0.5
183.10239	15.1
183.11806	0.9
184.10606	0.6
199.09785	2.7
201.11292	100.0
202.11609	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	199.1338
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.55024	0.2
55.01858	0.3
56.19036	0.3
57.03441	1.1
58.00594	0.3
59.01358	0.9
61.98813	0.4
67.01864	0.6
69.03447	0.6
69.90258	1.5
71.01361	0.9
71.05026	2.3
73.02944	0.7
81.03446	0.3
83.01381	0.8
83.05021	0.9
85.02941	1.0
92.99836	0.3
95.05015	0.5
97.02942	0.3
97.43736	0.3
99.00877	2.0
99.04495	0.7
99.08155	1.3
109.02969	0.3
111.00876	0.8
113.02444	2.7
115.75283	0.3
118.39420	0.3
125.02434	0.5
125.09703	2.1
127.00371	0.6
127.03972	1.7
127.11277	3.2
128.11661	0.4
129.92419	0.3
137.06052	0.5
137.09729	0.8
141.12836	0.4
153.12877	0.9
155.10779	3.4
155.14345	0.4
156.10237	0.3
156.89488	0.3
162.83884	2.9
163.11314	0.6
163.89493	0.3
164.83575	2.6
169.12349	0.6
171.10304	0.7
181.01442	0.4
181.12323	1.1
197.11870	1.6
198.98726	0.3
199.06120	1.3
199.09741	2.6
199.13376	100.0
199.80511	2.7
200.13724	3.3
200.43933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.80467	1.7
57.03428	4.6
58.00586	5.9
59.01374	7.1
61.98825	5.4
67.01866	3.5
68.99798	2.8
69.03449	6.1
71.01373	6.9
71.05011	7.5
71.58864	2.9
72.99300	2.0
73.02943	25.1
77.67709	1.6
82.66563	1.4
83.01368	8.5
83.05023	5.1
84.02142	2.8
85.02948	6.7
92.99789	2.1
95.05015	4.5
97.06607	3.1
99.00871	6.7
99.04507	3.0
99.08185	3.0
101.02434	1.5
109.06616	2.0
111.00885	6.7
111.04526	2.7
113.02439	12.5
116.92851	2.4
116.97221	2.0
117.01943	3.3
123.08165	3.2
125.02473	1.7
125.06067	9.1
125.09705	15.5
127.00372	4.8
127.04015	8.7
127.11282	10.3
135.00859	1.8
135.08116	3.1
136.98828	2.9
137.06081	2.1
137.09700	14.6
141.09276	1.9
143.10718	2.0
151.07643	4.5
153.01735	1.6
153.09210	7.2
154.99873	2.4
155.10760	25.7
156.10199	2.6
156.89523	2.9
161.84225	4.2
162.11687	1.7
162.83894	81.0
163.07658	2.9
163.83945	6.5
164.83597	79.0
171.10257	48.8
172.10527	2.1
181.05009	2.0
181.08643	8.5
198.80823	2.9
198.90683	2.2
198.98830	1.5
199.06039	5.6
199.09744	100.0
199.13412	18.2
199.16982	12.0
199.80486	73.0
199.82359	3.6
200.10085	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	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01868	1.1
57.03427	0.9
59.01367	2.2
59.26743	0.6
59.65784	0.5
59.98531	0.7
67.01871	1.8
69.03426	0.7
69.51473	3.9
69.51904	1.1
71.01366	4.0
71.05009	1.9
73.02935	6.0
83.01359	1.1
83.05002	0.9
84.02155	1.7
85.02935	4.1
86.03727	2.8
95.05023	0.8
97.06581	4.6
99.00868	1.2
99.08159	1.9
101.02446	1.0
111.00874	0.8
112.05298	7.3
113.02448	2.0
115.07650	3.8
125.06121	0.8
125.09748	1.5
127.04054	0.7
127.07616	1.8
127.11292	5.6
129.01924	3.4
130.02704	36.2
137.09705	11.7
148.72267	0.6
153.09203	1.5
155.10762	100.0
156.11073	3.7
171.10298	1.4
181.08681	2.8
199.09717	9.0
199.13419	2.1
199.16974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03452	0.3
59.01391	0.6
60.56153	0.3
69.64108	2.1
71.01405	0.5
71.05041	0.5
73.02966	0.7
75.63107	0.3
79.85081	0.3
79.95733	0.5
83.05044	0.7
85.62133	0.3
97.90917	0.3
98.96015	0.3
99.00893	0.4
113.02472	1.6
116.81141	0.3
119.05018	8.0
120.05409	0.5
127.03982	0.6
135.34813	0.3
136.98804	0.5
137.09711	6.2
155.10762	100.0
156.11098	3.5
181.08678	0.9
199.00635	2.3
199.05972	0.4
199.09727	11.1
199.13347	2.3
199.17012	0.9
200.10074	0.5
200.40694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01704	0.6
65.89522	0.5
71.01383	1.8
71.36977	0.9
73.02956	1.6
76.04604	0.5
81.03444	1.1
85.02949	3.7
87.00899	0.8
89.02470	1.1
91.59921	0.5
101.02437	0.7
103.04004	1.4
105.01939	0.8
117.05551	0.8
133.05037	0.7
133.19415	0.6
135.06618	17.7
147.02951	0.7
157.05896	0.5
185.36652	0.5
195.05099	1.0
211.50296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03455	0.7
56.51605	0.6
58.31918	0.6
59.01376	100.0
60.01715	1.1
63.23133	0.6
64.13587	0.7
70.00314	3.5
71.01377	1.1
73.02951	0.9
77.08237	0.6
85.02956	3.5
87.00858	1.0
101.02477	1.0
103.04008	1.3
105.01942	2.4
117.05578	0.8
120.74731	0.7
135.06631	18.6
186.73300	0.7
195.05090	1.0
198.12187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.25328	0.4
59.01387	1.1
61.98822	0.5
62.97029	0.4
69.03454	1.8
71.01383	0.8
83.05021	0.7
98.19906	1.1
115.95542	0.4
123.00879	0.9
138.03188	0.5
141.09183	0.8
151.11220	0.9
153.05533	0.5
153.09174	1.6
153.12840	3.6
160.84198	3.3
161.84177	0.5
162.83887	7.5
166.99831	1.0
169.12326	16.0
170.12637	0.7
179.10719	1.4
182.02208	1.3
197.11800	100.0
197.80753	4.8
198.12151	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	195.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01736	0.6
70.56938	1.8
71.01375	1.2
73.02951	1.1
75.00890	0.7
78.21251	0.5
81.03473	0.8
85.02928	4.0
86.43087	0.5
87.00861	3.6
89.02463	1.2
96.02473	0.6
97.40473	0.5
101.02426	1.4
103.04025	1.3
105.01942	5.7
117.05569	1.3
128.34138	0.6
129.01944	3.0
135.06624	21.4
147.02982	3.2
150.03825	0.6
177.04015	3.1
195.05103	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	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.1
59.01377	3.3
59.27111	0.4
61.51337	0.5
67.01884	3.1
69.03474	0.5
69.88422	1.8
71.01383	1.8
72.99302	0.5
73.02933	0.9
83.05031	0.8
85.02944	40.5
87.00868	38.1
93.03454	7.2
98.96146	0.4
99.00887	0.9
99.04533	0.9
101.02464	0.7
102.47948	0.4
102.52167	0.4
103.04008	0.4
109.02939	1.9
111.00872	70.5
111.04465	2.1
112.01226	1.1
113.02542	0.4
127.04016	3.8
129.01950	4.1
130.99821	1.0
148.94826	0.4
149.78630	0.4
154.99835	0.5
155.03445	0.4
171.02956	0.6
173.00903	1.4
173.04546	2.2
191.02016	9.6
191.05600	100.0
192.05922	2.4
197.35281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	L-Gulonate
Peak:m/z	Relative Intensity
57.03434	5.1
59.01379	19.2
61.02688	0.9
71.01383	13.7
71.61636	1.1
72.99303	6.5
75.00864	14.1
78.95883	6.8
83.01382	2.7
85.02937	4.1
87.00872	61.7
89.02427	10.5
96.96027	7.6
96.96964	8.7
99.00881	3.3
101.02438	2.7
105.01929	100.0
106.02245	1.6
111.00880	5.6
113.02429	1.0
119.03470	1.0
120.81715	0.9
129.01936	35.7
129.02908	1.7
144.71902	1.0
147.02988	41.0
149.04570	1.2
156.91336	2.7
158.91025	1.0
160.84204	6.4
165.04070	2.8
177.04024	36.6
178.04393	1.1
195.05080	69.0
195.81076	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	191.0559
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
57.03446	5.1
59.01377	3.3
59.27111	0.4
61.51337	0.5
67.01884	3.1
69.03474	0.5
69.88422	1.8
71.01383	1.8
72.99302	0.5
73.02933	0.9
83.05031	0.8
85.02944	40.5
87.00868	38.1
93.03454	7.2
98.96146	0.4
99.00887	0.9
99.04533	0.9
101.02464	0.7
102.47948	0.4
102.52167	0.4
103.04008	0.4
109.02939	1.9
111.00872	70.5
111.04465	2.1
112.01226	1.1
113.02542	0.4
127.04016	3.8
129.01950	4.1
130.99821	1.0
148.94826	0.4
149.78630	0.4
154.99835	0.5
155.03445	0.4
171.02956	0.6
173.00903	1.4
173.04546	2.2
191.02016	9.6
191.05600	100.0
192.05922	2.4
197.35281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0348
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.77903	0.2
54.91954	0.2
57.03451	1.4
59.01376	10.7
59.68665	0.2
62.42880	0.2
64.20058	0.2
67.01889	0.7
71.01373	1.1
71.62878	0.3
73.02939	1.1
78.31801	0.3
81.03438	0.2
83.01398	0.4
83.05044	0.4
85.02948	11.4
87.00871	9.7
87.01413	0.3
90.90399	0.2
93.03451	1.9
95.01411	0.3
100.70032	0.2
101.02431	0.4
102.98604	0.3
103.03976	0.4
104.02676	16.1
105.03002	0.4
109.02979	0.4
111.00874	21.2
111.04504	0.4
112.01188	0.3
113.02442	0.3
120.01329	0.2
120.02141	1.3
123.00848	0.8
127.03985	1.1
129.01915	1.4
131.03477	0.9
147.04514	0.5
148.01654	18.4
149.02031	0.4
163.07802	0.3
171.02966	0.4
173.00859	0.4
173.04518	0.4
176.01129	100.0
177.01488	3.0
180.00627	0.3
191.01962	2.3
191.03497	24.9
191.05588	27.9
192.03831	1.0
192.05913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03443	5.4
59.01373	1.6
67.01883	2.8
71.01373	1.2
71.36752	0.4
81.03452	0.3
83.01389	0.6
85.02944	33.3
87.00870	47.2
88.01208	0.6
93.03471	1.1
99.00887	0.4
99.12217	0.4
101.02422	0.6
103.04029	0.4
111.00872	100.0
112.01225	1.7
112.98069	0.4
112.98756	2.2
127.04031	0.9
129.01933	6.0
130.99841	0.9
137.87270	0.3
147.02922	0.4
154.99815	0.5
173.00909	2.1
191.01970	12.6
191.05594	25.6
192.06039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.2
59.01379	3.4
59.29160	0.5
67.01888	4.7
69.47155	3.8
71.01372	2.3
73.02938	1.3
81.03423	0.8
83.05016	1.0
85.02945	45.8
86.03287	1.1
87.00870	54.5
88.01215	0.8
88.69971	0.5
93.03464	5.1
99.00893	0.8
99.04488	0.7
101.02467	0.9
109.02938	1.2
110.54850	0.5
111.00873	100.0
111.04509	1.7
112.01215	2.0
112.98819	0.5
127.03986	3.2
129.01929	5.9
130.99924	0.7
147.03004	0.8
171.02966	1.1
173.00883	1.8
173.04524	1.0
191.01990	12.8
191.05591	69.2
192.04164	0.5
192.05888	2.3
200.46014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0974
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.01893	1.2
59.01373	3.0
71.01372	9.0
71.62633	1.6
72.99302	9.7
87.00844	1.7
97.06585	95.3
98.06927	2.5
98.45016	0.9
99.00883	11.4
107.08662	5.3
123.08157	23.3
124.08479	0.9
125.09718	12.3
129.52194	0.8
132.03299	0.8
141.09178	2.2
151.07643	25.7
152.07971	1.5
167.07094	1.7
169.08675	7.1
173.87042	0.9
187.03983	1.8
187.07748	5.0
187.09744	100.0
188.03506	1.4
188.10072	3.1
195.44817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05211	0.4
55.04432	0.4
59.01373	6.8
61.98813	0.7
69.03449	83.7
69.91100	2.6
70.03772	1.2
71.01379	10.5
73.02952	1.3
74.50185	0.5
85.02956	3.0
88.31908	0.4
95.01378	1.2
98.00101	1.2
99.04527	0.7
99.08131	1.3
104.98898	0.6
113.02441	66.3
114.02749	1.2
115.00372	1.2
120.04484	0.5
127.07631	2.9
129.05582	1.2
135.26582	0.6
143.86488	2.4
145.05052	1.2
157.01408	100.0
158.01756	2.2
170.88802	0.5
171.06665	0.7
189.04082	3.1
189.05539	0.7
189.07669	2.2
196.74171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0246
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
58.00594	1.3
59.01376	0.8
62.14503	0.3
62.59294	0.4
67.01886	14.2
68.99796	0.5
71.01364	0.7
71.05009	0.5
71.15407	0.9
71.15760	0.6
72.14661	0.4
73.02941	12.3
76.35652	0.4
80.06456	0.4
81.03458	1.4
83.01393	1.5
84.23786	0.4
85.02923	0.6
96.96915	0.4
99.00885	0.8
99.04512	7.6
108.30108	0.4
111.00874	100.0
112.01205	2.4
115.04008	3.0
116.07157	0.6
125.02397	0.8
137.76128	0.5
142.08675	0.5
143.03488	11.9
154.99867	0.7
187.06146	1.1
187.09750	0.5
188.09200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0974
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03444	3.2
59.01374	0.8
65.96592	0.3
69.03460	0.5
69.45099	2.4
71.01360	0.5
80.02676	0.4
83.04961	0.5
87.29922	0.3
95.04998	0.7
96.36058	0.3
96.99288	0.4
97.06586	11.4
98.19910	0.6
123.08157	4.9
125.09715	100.0
126.10044	3.7
143.10768	1.7
169.08684	2.5
187.09741	50.9
188.10147	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17647	0.4
59.01371	1.0
59.43035	0.4
63.81170	0.3
69.03448	0.5
71.62999	0.4
80.73573	0.4
83.05038	0.5
83.95267	0.3
87.00870	100.0
88.01189	0.6
95.05030	0.4
97.02966	0.6
97.06580	3.8
101.16017	0.4
107.52273	0.5
110.98531	0.5
112.98778	0.4
116.99175	0.5
121.35024	0.4
123.08170	0.4
141.09207	1.4
155.57463	0.5
167.07104	1.7
173.35896	0.4
185.02609	0.5
185.05957	0.4
185.08151	1.4
185.11819	2.7
185.15411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1181
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01373	34.5
59.89334	0.7
71.01365	4.3
71.05022	5.9
87.04498	0.7
94.02430	0.7
97.02959	0.7
97.06565	0.7
111.08138	2.1
112.98820	1.4
115.04000	100.0
116.04341	1.3
121.67950	0.7
123.08187	0.8
139.11285	1.7
141.09193	2.2
155.10715	0.7
157.17491	0.6
167.10751	15.9
183.10283	2.0
185.11806	97.7
186.12138	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	179.0559
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
54.79533	0.6
55.01844	1.0
57.03429	0.8
58.00592	5.5
59.01374	100.0
62.95253	0.8
65.01485	0.8
71.01376	87.4
71.05025	1.0
71.61616	1.2
72.01709	1.4
72.99305	10.7
73.02940	6.5
75.00867	70.9
78.95924	0.9
81.03461	3.2
83.01365	2.1
85.02945	7.9
87.00871	14.0
89.02436	51.6
94.75377	0.8
95.01374	2.6
96.34969	0.8
97.02940	1.9
99.00870	3.4
101.02448	10.1
113.02435	7.7
115.45692	0.8
117.01892	1.5
119.03468	0.8
125.02449	2.4
143.03531	6.5
147.77985	0.8
161.04533	12.6
168.76224	0.8
179.05586	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	184.0614
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01376	49.1
61.98841	1.1
63.71461	0.7
67.15543	0.9
69.03449	1.0
70.02971	2.8
70.79398	2.0
71.01369	12.5
72.00443	0.8
73.02937	0.7
84.00871	0.9
84.04538	8.4
85.02958	0.8
94.02996	3.6
95.05013	1.5
96.00925	1.6
97.01668	4.0
98.02480	1.7
98.06100	1.8
99.04510	0.8
99.51032	0.7
110.02474	2.6
112.04036	100.0
112.07655	4.2
113.02454	1.9
113.04357	1.7
113.06097	3.5
116.89407	0.8
122.02463	1.0
122.06108	8.4
124.04031	70.4
125.02440	1.5
125.04352	1.4
140.07164	33.6
141.05609	1.2
141.07463	0.8
141.09233	0.9
154.05089	0.8
166.05070	5.3
184.06128	84.3
185.06502	2.5
185.08102	1.0
185.11734	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	177.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53860	0.2
59.01379	2.7
65.59605	0.2
69.25752	2.3
71.01385	0.5
77.03963	0.9
77.14793	0.2
81.03455	2.0
87.77518	0.2
89.03966	8.1
93.03448	1.0
95.05016	0.9
98.20590	0.4
105.03457	13.1
107.01394	0.5
109.02939	0.3
121.02940	0.9
133.02948	24.6
134.03297	0.3
139.04016	0.9
149.02435	3.1
162.03212	2.5
177.01912	100.0
178.02258	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	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06565	0.2
59.01368	0.8
61.98824	0.7
63.30947	0.2
63.34927	0.2
69.37388	0.2
70.46753	0.6
71.01380	0.3
78.34734	0.2
80.60325	0.2
84.98261	0.2
87.00869	0.6
96.95998	0.3
107.50355	0.2
114.04220	0.2
119.93709	0.9
134.96078	44.4
135.96144	2.1
136.93997	100.0
137.94070	4.9
151.92700	15.1
152.92763	0.7
154.95053	0.3
161.04527	0.3
178.95052	69.0
179.05644	0.3
179.95135	4.4
196.96077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0191
Annotation	Daphnetin
Peak:m/z	Relative Intensity
52.16057	0.2
59.01376	3.1
69.81783	1.0
71.01379	0.4
77.03975	0.8
81.03459	1.8
89.03414	0.4
89.03971	7.8
93.03447	1.4
95.05027	0.5
98.19817	0.2
105.03456	13.7
106.03788	0.5
107.01385	0.9
109.02945	0.4
121.02938	1.0
129.01917	0.3
133.02951	24.7
134.03334	0.6
135.00885	0.2
139.03999	0.5
144.07678	0.2
149.02441	3.6
150.02800	0.2
162.03210	2.3
177.01913	100.0
178.02266	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	177.0192
Annotation	Daphnetin
Peak:m/z	Relative Intensity
59.01373	2.0
64.77532	0.2
69.63673	1.7
71.01386	0.2
72.46635	0.2
77.03952	0.9
81.03453	2.1
86.41772	0.2
87.30440	0.2
89.03966	7.4
93.03438	1.2
95.05023	0.9
95.15885	0.2
105.03455	12.7
107.01389	0.4
121.02948	1.4
122.97583	0.2
133.02946	24.2
134.03278	0.6
139.04033	0.4
144.65485	0.3
149.02417	3.3
162.03197	1.5
177.01912	100.0
178.02275	2.8
194.95201	0.2
196.00586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
50.61197	0.5
59.01375	72.8
69.03429	0.8
69.95399	1.9
69.95809	1.2
71.01358	3.1
71.05016	6.5
73.02924	1.8
78.95889	1.7
84.19477	0.6
85.02946	2.4
85.06065	1.4
85.06583	22.5
87.00869	100.0
87.04510	7.5
88.01190	1.3
89.95637	0.9
93.03447	1.3
101.02432	8.2
105.03745	0.9
107.20517	0.7
113.06076	22.4
113.06877	1.1
114.06380	0.7
115.00375	2.5
115.04010	10.5
117.01920	0.9
124.98759	0.8
127.73288	0.5
128.84329	0.7
129.05554	2.5
131.03456	0.6
131.05077	0.7
131.07095	1.7
132.98245	1.0
133.05057	2.3
135.04486	1.7
142.03297	0.7
157.05042	2.2
174.88881	4.2
175.06104	37.0
176.03497	1.0
179.03459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0609
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
54.39708	0.3
58.99591	0.7
59.01375	100.0
60.01724	0.8
65.65018	0.3
69.03436	1.7
70.01372	0.6
70.01781	1.0
71.01376	3.2
71.05020	7.8
71.13701	0.3
72.99324	0.6
73.02967	0.7
78.95902	0.5
82.25249	0.3
85.02956	2.2
85.06580	7.2
86.03266	0.4
87.00868	20.3
87.03398	0.6
87.04501	2.3
93.03490	0.4
96.58609	0.4
96.99334	0.5
97.02972	0.4
99.00883	0.6
101.02435	6.4
105.03800	1.5
113.02427	0.4
113.06088	5.6
115.00373	2.5
115.04000	9.4
117.01912	0.6
120.38682	0.4
124.98798	0.8
129.01961	0.4
129.05568	1.0
129.07512	0.7
131.03465	0.3
131.07129	1.0
133.05035	2.8
145.00243	0.9
151.82681	0.4
157.01402	2.1
157.05095	0.7
174.31152	0.4
175.02484	0.9
175.06105	11.2
175.08118	0.6
176.86372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0168
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
59.01369	38.6
64.33147	6.2
67.01874	19.7
68.02201	11.2
69.66898	37.4
69.67295	12.4
71.01379	38.0
72.99288	9.8
83.01377	14.4
85.02953	19.8
86.03273	7.1
87.00867	48.6
93.03445	14.8
94.03787	89.1
96.18643	5.6
100.01215	6.2
104.20035	6.3
111.93884	5.8
112.04853	14.1
115.00376	56.7
116.05051	7.3
118.02879	6.7
128.05032	15.4
130.06590	18.2
131.03728	22.4
131.04922	6.1
143.79240	5.4
144.00046	6.0
144.03548	8.7
144.04535	50.2
146.02446	9.0
146.06110	83.4
146.38394	6.7
157.01369	6.4
160.01628	10.2
174.01712	100.0
174.05527	71.9
174.88965	40.1
175.02377	16.8
175.03833	10.2
175.06165	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	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40770	1.0
57.03450	1.3
59.01377	47.9
66.60068	1.1
68.99802	1.7
69.03446	3.7
69.99577	4.9
71.01379	13.0
71.05017	2.9
72.99297	3.6
73.02936	10.8
75.00874	3.1
78.95868	1.4
85.02950	7.7
85.06585	2.6
87.00869	18.6
87.03338	2.1
87.04494	2.3
92.95961	2.1
93.03463	1.9
96.99314	1.6
98.19840	1.3
99.00880	2.5
100.98798	20.7
101.02423	4.3
105.03767	1.1
113.02476	1.5
113.06091	5.9
115.00368	9.6
115.04000	7.0
117.01933	13.2
124.98773	3.1
127.97514	19.3
130.97537	5.3
131.03503	2.5
131.07063	1.3
132.98172	1.7
133.05046	5.1
142.99857	4.4
145.00183	1.1
146.97046	10.4
147.04475	1.4
148.98601	100.0
149.98689	6.4
157.01393	5.0
157.04987	1.8
158.12782	1.1
174.82825	11.1
174.88948	2.2
174.96527	23.4
175.02451	4.1
175.03963	3.1
175.06178	9.5
182.31287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01862	0.9
57.03426	0.7
59.01365	2.1
61.42152	0.7
63.63658	0.7
67.01881	1.8
69.56021	4.9
69.56416	1.6
71.01373	21.1
71.38918	0.8
72.99303	1.6
73.02930	1.8
83.01373	2.9
85.02944	100.0
86.03252	1.2
87.00893	1.5
93.03450	4.5
96.99254	1.0
98.20628	1.3
99.00869	6.7
111.00877	7.5
111.04525	1.1
112.98804	16.5
115.00349	0.9
116.60916	0.7
124.98782	5.4
129.01936	9.6
134.72495	0.7
140.98109	0.8
142.99855	17.7
173.00893	2.9
173.04526	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	173.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63830	0.4
54.20050	0.5
54.50941	0.5
55.01870	1.0
57.03439	0.8
59.01371	0.8
67.01884	1.6
68.99818	0.8
70.76478	1.1
71.01380	13.1
72.99290	0.8
73.02943	1.2
83.01374	1.9
85.02948	100.0
86.03310	1.3
87.00883	1.0
93.03449	1.7
96.99294	0.8
99.00876	5.2
100.07649	0.8
111.00871	11.3
112.98805	7.4
115.00345	0.8
124.98844	2.7
124.99608	0.4
128.07179	1.0
129.01944	10.9
142.99857	10.0
173.00923	2.2
173.04529	1.5
173.05887	0.5
174.07816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.83325	0.4
55.01876	0.4
56.26223	0.4
59.01381	0.7
61.19390	0.3
67.01878	1.1
71.01373	5.6
72.99329	0.4
73.02930	1.7
83.01384	1.1
83.05033	0.6
85.02942	100.0
86.03281	1.3
87.00890	0.4
93.03447	3.2
99.00871	2.0
100.38767	0.4
104.13705	0.4
111.00874	8.5
111.04514	1.2
112.98806	5.0
123.34709	0.4
124.98789	0.6
129.01930	11.9
137.02390	0.5
142.99831	2.7
148.00948	0.4
149.63306	0.4
155.03493	0.4
166.31718	0.4
169.81403	0.4
173.00906	0.9
173.04619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
53.24765	0.4
69.41161	1.5
69.41563	2.1
83.66736	0.4
98.20661	1.0
99.08089	0.5
108.55336	0.5
112.39476	0.4
120.30177	0.5
125.09721	2.8
127.07635	0.9
127.11282	5.9
153.09203	1.4
171.10254	100.0
172.10567	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	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
55.36324	0.3
57.03445	0.3
57.12698	0.3
58.02969	2.3
58.65408	0.3
59.01395	0.3
60.99315	0.4
67.01904	1.6
69.03474	0.4
71.01398	1.2
71.07737	0.7
74.02496	0.4
75.00061	0.2
84.04567	0.4
84.82518	0.3
85.02946	1.7
90.15575	0.3
93.03452	8.1
99.00933	0.5
111.04502	0.9
116.05065	1.9
128.10797	5.9
130.08730	100.0
131.09070	2.4
144.04546	3.5
154.01543	0.3
162.05602	0.5
162.33633	0.3
172.04034	1.5
172.09747	19.3
173.04550	5.0
173.08038	0.3
173.10075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
50.03013	0.6
51.88549	0.6
55.01874	5.1
57.03448	1.4
58.79299	0.6
59.01388	1.3
61.98816	1.1
65.00318	0.7
68.10970	0.7
68.99802	1.8
69.03451	7.8
71.01365	0.9
71.04621	1.5
71.05017	30.5
71.62853	0.9
80.02685	1.1
81.03465	1.8
83.01389	0.8
83.05017	8.2
84.95095	1.3
85.02914	0.9
87.00876	1.1
95.05009	2.0
96.99265	1.2
97.02969	3.2
97.06596	3.5
98.02496	1.2
107.05053	1.7
109.02935	1.4
109.06609	0.8
111.04529	0.7
113.02417	0.8
116.56418	0.8
122.89389	0.8
123.08157	8.3
125.02436	17.6
125.03295	1.3
125.06089	2.9
125.09717	100.0
125.99581	1.1
126.02810	0.9
126.10046	3.9
126.90334	1.3
127.03940	0.7
128.07076	0.9
132.86810	1.1
134.86565	2.8
139.00412	1.0
140.03511	1.0
141.01981	0.9
141.09212	1.7
151.00302	0.8
151.04022	0.8
153.99080	2.6
168.83591	3.6
168.99037	3.2
169.01416	10.2
169.05118	3.4
169.06290	0.8
169.08687	14.4
169.12343	1.3
170.04657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03431	0.6
59.01373	4.3
65.20380	0.3
67.01883	0.4
71.01384	1.2
71.62856	0.5
78.95891	1.8
83.01397	0.4
83.05003	0.5
85.02946	0.7
95.01364	0.4
99.00869	1.0
99.04557	0.8
99.08137	0.6
107.04982	0.4
109.02958	1.2
109.05859	0.7
109.06584	9.9
110.06990	0.4
111.00877	0.6
112.04068	0.4
125.09728	1.0
127.07642	100.0
127.11248	2.5
128.07944	3.0
130.08727	5.6
144.04550	2.3
152.98288	0.5
153.01884	0.4
153.09196	0.8
153.37819	0.4
169.12199	0.4
171.00638	0.6
171.01917	3.1
171.04385	0.6
171.06650	4.7
171.10249	42.6
171.13881	2.6
172.04004	0.6
172.10611	1.1
182.94832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0713
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
55.09006	0.7
57.03442	0.9
61.98844	1.6
65.00320	1.5
66.03470	0.8
67.01906	2.2
68.99831	1.6
69.03458	3.9
71.01382	1.7
71.09339	1.8
72.99330	1.2
78.95902	1.2
80.02663	3.5
80.05076	1.2
81.03466	2.5
82.95436	2.1
83.01414	1.1
83.05039	3.0
84.02184	2.8
85.02960	2.1
91.01890	5.3
93.03481	2.3
93.07104	0.9
95.01387	10.2
95.05017	7.0
97.02944	3.5
97.06589	4.2
98.03717	2.2
105.07109	1.9
108.02165	53.5
108.04591	1.5
108.11324	0.6
109.02995	3.7
109.06590	5.1
110.02489	1.4
110.03750	4.9
111.00885	2.2
111.04543	2.3
111.08157	18.0
112.01664	10.7
112.08506	0.7
114.16719	0.7
121.02933	3.4
121.06580	7.5
123.00887	8.7
123.04514	40.4
123.08144	7.2
124.01662	15.4
124.07696	1.0
125.02492	3.7
125.06088	1.6
132.86772	8.4
134.03723	1.3
135.00882	0.8
137.02451	5.7
137.06100	1.5
138.03204	1.6
139.00362	0.8
139.03017	0.6
139.04045	3.5
139.07643	33.9
141.43082	0.7
148.18034	0.7
149.02502	3.2
149.06076	18.2
150.06416	0.7
152.01147	100.0
152.04753	2.4
153.00554	1.6
153.01581	2.0
163.28996	0.7
166.83321	2.9
166.99800	1.1
167.03485	45.4
167.05815	1.7
167.07135	21.3
167.83629	1.3
168.03973	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	168.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08561	0.4
58.02970	100.0
59.03308	0.7
60.51519	0.3
61.70742	0.3
61.98825	2.3
68.99809	0.5
69.03458	0.3
70.02970	0.4
70.15093	1.2
82.95409	2.4
83.05035	0.4
85.35316	0.3
87.00878	0.5
94.45965	0.2
96.99228	0.4
97.02965	0.7
108.04552	0.7
123.04466	0.2
124.04008	0.5
125.02416	2.6
125.09715	0.4
125.52569	0.3
126.90351	0.9
132.86797	1.4
151.11258	0.3
153.01544	0.7
168.06638	0.3
168.13901	11.1
168.83557	0.8
168.91402	0.6
168.98943	0.6
169.01401	1.5
169.05072	0.3
169.08524	0.3
169.12302	0.3
169.14223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
59.01377	1.7
69.42966	1.6
69.43385	1.3
71.01382	1.6
72.99299	29.8
73.02958	0.6
73.68768	0.4
75.00887	0.5
77.03971	1.3
79.93095	0.4
85.02936	0.6
87.00874	0.9
89.02455	1.4
91.05543	1.0
93.03465	1.1
98.19921	0.7
101.02455	1.1
101.03951	1.1
103.05531	2.3
105.01915	0.5
107.05016	1.2
109.02936	0.6
115.07996	0.4
117.03496	0.5
118.26507	0.4
119.05013	31.7
120.04508	0.4
120.05368	1.5
121.02940	24.4
121.06594	0.9
122.03261	0.7
123.04588	0.6
135.04514	1.2
137.02438	1.6
137.80200	0.4
138.05588	0.4
147.04503	100.0
148.04854	4.1
149.00833	0.4
149.06030	0.5
150.03203	2.3
151.00348	0.5
165.01950	3.1
165.05540	36.6
165.07718	1.2
165.09126	4.2
166.05861	1.6
177.34843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17536	0.5
57.03444	4.6
59.01377	4.7
61.98837	0.7
65.00319	0.8
65.99843	0.7
66.03481	2.1
67.01907	0.5
67.48592	0.5
68.99807	0.5
69.03459	1.1
71.01376	5.2
71.05010	0.5
71.62762	0.4
71.63161	0.6
72.99307	1.6
73.02943	1.7
77.03959	5.6
80.02668	0.7
81.03448	4.2
82.95428	0.8
83.01394	0.6
83.05030	7.8
85.02951	2.8
87.00904	0.5
89.02439	2.2
91.01881	1.2
93.03452	3.8
93.99339	0.9
95.05022	5.4
96.95979	0.7
97.06581	10.1
100.46445	0.5
101.02410	2.4
103.02859	0.5
103.03977	0.8
105.01942	0.5
107.05028	1.1
108.02165	1.2
108.04502	0.9
108.86411	0.5
109.02948	2.1
109.06574	1.6
110.29800	0.5
111.04517	0.6
111.08150	10.5
112.08466	0.6
119.05018	2.3
121.02944	100.0
121.06564	1.5
122.02441	0.7
122.03181	4.6
122.06148	0.9
123.00912	0.6
123.04509	2.0
123.08192	0.7
124.04014	0.9
135.04533	3.0
136.04903	1.0
137.02435	8.6
137.09694	0.7
138.05600	1.1
147.04521	3.2
147.06595	0.8
147.11754	0.6
149.00981	3.3
149.09639	0.5
150.03197	7.8
151.00406	0.8
152.63182	0.4
163.11263	4.3
164.83601	13.3
164.89677	2.0
165.01912	14.9
165.04132	1.2
165.05513	7.2
165.07629	4.1
165.09180	1.7
165.12828	23.4
166.05048	2.9
166.13188	1.4
171.57031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
57.03436	2.3
59.01378	9.5
71.01360	3.2
71.03754	0.9
85.02940	8.4
101.02451	10.7
113.02490	1.0
118.99245	4.1
119.05016	26.1
120.05325	2.2
122.64970	1.1
131.03522	3.0
135.00937	1.3
135.56560	1.0
163.00343	5.6
163.03996	2.3
163.06128	16.5
163.11276	100.0
164.11595	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	164.0715
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
71.07487	1.1
71.07822	0.9
72.00900	35.3
91.05543	2.8
103.05515	6.6
119.05053	1.3
121.02947	1.3
125.88055	0.6
146.06023	0.9
147.04509	100.0
148.04872	3.7
164.07144	56.7
165.07474	1.3
178.96970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0191
Annotation	Terephthalate
Peak:m/z	Relative Intensity
54.34611	0.2
57.03436	0.5
59.01372	2.9
60.35298	0.2
63.31774	0.2
68.99788	0.2
70.42683	0.7
71.01378	2.4
72.99299	2.1
73.02952	1.1
75.00864	6.8
77.00659	1.4
77.03957	5.5
79.95709	0.8
80.33612	0.2
80.96514	0.2
84.01833	0.2
85.02939	0.7
87.00867	27.8
89.02438	1.5
93.03458	1.3
96.46620	0.2
99.00868	2.9
101.02456	1.6
105.01925	23.1
106.02267	0.3
117.01959	0.9
119.03502	0.3
121.02945	100.0
122.02460	0.3
122.03270	2.7
123.04511	0.2
129.01907	0.7
135.02962	0.6
137.02431	0.7
147.02988	2.6
150.03175	0.4
164.83644	0.6
164.89539	2.9
165.01913	8.8
165.04025	19.5
165.07678	0.7
166.01863	0.7
166.04221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0402
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
55.01881	0.9
59.01372	10.0
59.04467	0.6
62.62802	0.6
69.03458	0.9
70.73341	1.5
70.73663	0.7
71.01376	10.6
72.99290	4.9
73.02944	3.8
75.00864	20.8
77.00656	2.2
85.02934	2.3
87.00866	100.0
88.01196	1.7
89.02440	5.4
93.03460	1.6
98.20608	0.7
99.00869	12.1
101.02438	5.5
101.11863	0.6
105.01923	80.4
106.02281	0.7
112.30531	0.6
117.01928	3.2
119.03491	1.7
121.02946	2.5
129.01936	1.3
135.02959	2.1
147.02962	10.9
147.06592	0.9
165.04019	70.6
166.01802	1.6
166.04372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	D-Cymarose
Peak:m/z	Relative Intensity
51.99277	0.7
53.17975	0.8
55.01867	1.6
57.03452	4.2
58.00594	1.0
59.01091	1.8
59.01376	28.0
67.05123	0.8
68.90453	0.8
69.03442	2.4
71.01379	27.4
71.05016	21.9
71.08091	1.1
72.99300	2.5
73.02943	21.0
75.00881	1.7
77.33140	0.8
81.03452	5.3
83.00916	1.4
83.01366	6.5
84.02148	1.2
85.02951	32.1
87.00883	3.2
87.04511	16.8
89.02431	7.9
89.03949	0.8
97.02939	2.8
99.04512	74.7
100.04863	2.0
101.02451	5.3
113.02443	3.5
115.04005	45.5
115.07634	9.6
117.03473	1.2
117.05573	31.0
131.03508	16.7
133.02971	5.4
143.03476	1.4
151.68852	0.8
161.01071	1.7
161.02440	37.2
161.04523	15.8
161.08180	100.0
162.02864	1.9
162.08514	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	163.04
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
50.98355	0.2
51.07058	0.1
52.87881	0.1
57.03432	0.3
59.01380	1.8
59.62918	0.1
62.23573	0.1
65.27236	0.1
67.05797	0.1
69.80541	0.5
69.80938	0.3
71.01379	0.7
73.02953	0.2
85.02935	1.3
89.52759	0.2
91.01944	0.1
91.05527	6.9
93.03461	1.0
98.19939	0.3
101.02446	1.2
102.98566	0.2
117.03432	0.2
119.05019	100.0
120.05345	3.3
121.11591	0.1
135.00851	0.3
135.04482	1.1
152.69788	0.1
162.26367	0.2
162.83945	0.7
163.00351	1.2
163.03995	8.3
163.06065	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
51.44112	0.1
55.01871	0.2
57.03446	0.7
58.00572	0.2
59.01090	0.3
59.01377	4.7
59.01672	0.3
65.00322	0.3
69.03444	0.3
69.32777	1.2
71.01377	3.2
72.99297	0.5
73.02943	3.2
73.46023	0.1
75.00878	0.2
77.03965	0.4
79.46159	0.1
81.03448	0.8
83.01385	1.4
85.02946	5.7
87.00877	0.4
89.02445	1.3
89.03977	0.8
93.03442	0.2
95.05025	0.8
97.02943	0.5
99.04524	0.2
101.02407	0.8
105.03445	0.6
112.09412	0.1
113.02435	0.9
117.03456	2.8
121.02960	0.1
123.04511	3.3
129.01979	0.1
131.03499	3.0
133.02943	15.5
134.03273	0.6
143.02353	0.1
143.03499	0.2
161.02429	100.0
161.04579	2.8
162.02776	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	161.0454
Annotation	2-Dehydro-3-deoxy-L-rhamnonate
Peak:m/z	Relative Intensity
55.01884	2.1
57.03447	15.5
58.00605	3.4
59.01374	75.0
62.68020	1.8
69.03459	2.8
70.78103	4.8
71.01379	56.5
71.05019	44.9
72.99297	6.0
73.02943	37.6
74.58169	1.6
75.00880	2.1
76.97146	1.6
81.03448	7.7
83.01385	10.7
85.02943	51.4
85.03442	3.2
86.03275	1.8
87.00868	69.9
87.04488	1.9
89.02441	13.7
90.79044	1.7
95.01376	2.3
97.02946	9.7
99.00882	3.9
99.04507	40.6
101.02434	23.4
113.02451	6.1
115.00361	1.7
115.04001	22.0
115.07598	2.5
117.05565	29.5
126.54779	1.5
131.02525	2.0
131.03490	29.9
143.03491	54.0
158.36037	1.7
158.43193	1.6
161.04546	100.0
161.08173	2.2
162.04869	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05324	0.7
55.01855	1.1
57.03438	3.5
59.01374	19.2
68.49300	0.8
69.03454	2.5
70.62377	1.9
70.62716	0.7
71.01376	22.7
71.05013	25.4
72.99285	2.3
73.02940	15.6
75.00836	0.9
81.03448	3.4
83.01379	5.3
84.02148	0.9
85.02943	24.0
87.00853	3.2
87.04507	14.6
89.02440	5.9
95.01354	0.8
97.02931	2.1
99.04511	75.4
100.04848	1.4
101.02431	3.4
113.02417	2.5
113.06095	1.0
115.04005	49.2
115.07627	9.4
116.04328	1.2
117.05569	32.6
131.03503	12.5
131.45216	0.8
160.84225	1.1
161.02440	4.5
161.04565	11.7
161.08174	100.0
162.08514	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
53.03963	0.1
55.01862	0.4
55.02099	0.1
57.03440	1.6
58.00578	0.4
59.01378	8.6
65.00323	0.4
68.99818	0.2
69.03451	0.5
71.01379	6.6
71.05004	0.5
72.99303	1.0
73.02947	7.4
75.00855	0.5
77.03973	0.4
81.03462	1.4
83.01384	2.5
84.02161	0.2
85.02946	11.3
86.03266	0.2
87.00857	1.2
87.04503	0.6
89.02441	3.2
89.03972	0.9
95.01388	0.3
95.05007	0.9
97.02949	0.8
99.00881	0.3
99.04528	1.5
101.02436	1.8
103.03986	0.2
105.03461	0.5
113.02446	1.4
115.04004	1.0
115.07686	0.2
117.03462	2.9
117.05602	0.5
123.04520	3.3
125.02430	0.3
129.01892	0.2
131.02513	0.3
131.03500	6.2
132.02116	0.3
133.02950	17.8
134.03264	0.7
159.02977	0.2
160.89236	0.2
161.02437	100.0
161.04343	4.7
161.08165	1.8
162.02805	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	159.1026
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
59.01363	1.1
68.99805	0.4
69.74583	2.0
71.01379	1.6
73.02950	2.2
83.01403	0.4
85.02937	0.8
86.00498	0.3
87.00864	1.2
87.04459	0.4
93.86142	0.4
97.06577	0.5
98.19855	0.5
99.00840	0.5
101.02425	1.0
111.00900	1.0
111.08180	0.7
113.02468	0.8
113.09721	16.7
114.10060	0.6
123.08138	0.6
129.01903	1.0
141.09186	1.0
157.08810	0.8
159.03024	2.0
159.10252	100.0
160.10596	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	158.0821
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
52.41176	0.3
55.01867	0.9
57.03445	0.9
58.02967	1.7
59.01360	1.5
69.03452	2.0
69.39246	2.5
70.03790	1.1
71.01369	2.8
71.05018	0.8
72.99286	0.6
73.02943	1.3
78.95905	0.4
83.01374	0.8
85.02932	1.1
86.02464	0.4
86.06116	0.7
86.87904	0.3
87.00884	0.7
92.22608	0.3
95.05067	0.3
96.04562	3.5
97.02924	1.9
97.06584	0.6
99.00890	0.4
101.02453	0.4
108.85107	0.3
111.00880	0.5
111.05637	0.3
112.04066	0.4
113.02454	0.6
114.05605	0.7
114.09232	6.2
115.00350	0.3
115.03999	0.6
116.07168	100.0
117.05609	0.8
117.07529	2.9
127.10109	0.3
129.01938	0.8
140.67851	0.3
141.01955	0.8
158.01677	0.4
158.08209	15.9
158.89265	2.4
159.03030	1.6
159.06602	1.2
159.08539	0.6
159.10266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01878	1.2
57.03446	1.5
58.02986	1.5
59.01373	5.0
59.91066	0.3
60.01731	0.4
61.98840	0.8
68.99821	1.2
69.03462	1.2
71.01378	6.3
71.58112	0.5
72.99318	1.2
73.02946	7.4
73.03339	0.5
75.00883	1.0
83.01396	1.4
85.02950	2.5
86.02492	0.4
87.00871	3.5
87.04539	0.5
95.05027	0.4
96.36129	0.3
97.02931	1.1
97.06596	1.6
99.00869	3.3
99.04511	0.6
99.92584	0.7
101.02441	3.9
111.00866	4.5
113.02458	2.1
114.05627	0.4
114.09241	6.1
114.09982	0.7
114.94877	0.6
115.00336	0.5
115.07687	0.5
116.07168	100.0
116.92854	2.2
117.01971	0.4
117.05579	1.0
117.07499	2.6
123.00906	0.6
127.04005	2.1
128.00671	0.4
128.05038	1.0
129.01935	4.3
130.06602	1.6
139.22275	0.4
141.01915	0.4
157.07661	0.4
158.03586	2.4
158.04724	0.7
158.06195	3.7
158.08182	18.3
158.84654	0.8
158.89244	1.4
158.93869	0.4
159.02977	8.3
159.06578	1.1
159.09251	1.8
159.10283	1.1
172.04027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0868
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
56.78827	0.4
57.03450	0.7
59.01374	100.0
60.01717	1.3
60.50666	0.4
66.81857	0.4
68.99839	0.8
69.03468	0.9
69.46381	3.5
71.01377	2.0
78.76872	0.4
83.05021	0.6
84.99306	19.9
85.02931	1.3
85.06608	0.6
85.99634	0.8
87.00875	1.6
88.77888	0.4
95.05027	1.3
97.02931	0.4
97.06582	4.2
98.20617	0.5
99.00858	2.2
109.06563	0.8
111.08179	1.8
112.92216	0.4
112.98800	0.5
113.06084	1.6
113.09727	1.8
115.00364	0.8
127.00375	4.9
127.07644	1.6
128.05061	1.1
128.98294	3.1
130.06615	1.6
139.07617	2.0
156.89474	1.0
156.97839	2.0
157.01408	1.4
157.05063	1.5
157.08690	19.7
157.12318	5.0
158.03622	0.9
158.06134	2.1
158.08095	0.7
158.09177	0.5
158.12660	0.7
159.54945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0869
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
57.03441	3.6
59.01374	8.9
59.53028	0.5
68.99833	0.6
70.32829	1.7
71.01357	1.1
72.99295	1.8
75.00878	0.6
83.05006	0.6
84.82867	0.3
84.99305	10.9
85.02946	0.7
85.99617	0.6
87.00896	0.7
95.04996	1.0
97.06545	0.4
99.00892	1.0
109.06569	0.8
111.08148	100.0
112.08467	4.2
112.92229	0.7
113.06087	0.6
113.09720	1.5
115.00394	1.3
127.00368	3.8
128.05090	1.9
128.98296	1.7
130.06638	1.9
131.72266	0.4
139.07632	5.5
155.07140	2.4
156.89432	0.6
156.97742	0.6
157.01395	1.0
157.08684	80.2
157.12222	3.8
158.03583	1.2
158.06137	3.7
158.09062	4.7
172.04108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0142
Annotation	4-Methylene-2-oxoglutarate
Peak:m/z	Relative Intensity
54.49352	0.3
57.03436	0.6
59.01376	15.9
61.98836	0.5
68.99814	1.2
69.03450	100.0
70.03783	1.7
70.48066	1.0
71.01379	16.1
72.99313	0.4
75.00871	2.8
78.95880	0.8
80.04289	0.3
83.05025	0.4
84.99291	2.0
85.02949	4.7
88.66933	0.3
91.08813	0.4
95.01413	0.5
95.05032	0.9
96.96001	5.0
96.96967	1.0
97.02964	0.4
97.06581	0.4
97.66493	0.4
98.95610	0.5
99.00874	2.1
107.86046	0.4
111.00923	0.5
111.08164	0.8
112.92236	0.5
113.02443	15.6
113.06094	1.5
113.09737	1.1
115.00388	1.8
116.07167	2.6
127.00346	3.7
128.98289	0.5
130.06631	0.4
139.07619	0.9
155.26180	0.3
156.89462	1.2
156.96895	0.4
157.01411	18.0
157.05058	1.1
157.08699	6.5
157.12292	2.9
157.86397	0.4
158.01717	0.4
158.03572	0.7
158.06110	0.7
158.08189	1.1
162.27495	0.4
174.07716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0869
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
59.01373	17.4
67.05518	1.9
69.03455	0.8
70.58946	2.0
71.01378	13.5
72.81143	0.5
83.05024	1.0
84.99289	3.1
93.07096	1.3
99.00863	0.8
109.06583	6.9
109.36279	0.6
111.08171	3.6
113.09732	0.8
121.06547	1.9
125.60393	0.7
127.00369	1.3
127.07641	40.4
128.07967	1.7
128.98296	0.7
139.07642	28.6
140.07988	1.2
155.07088	0.9
157.08687	100.0
158.03423	0.6
158.09036	5.9
158.99431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14368	0.7
55.01874	7.6
57.03426	1.8
58.00574	1.9
59.01376	55.9
63.71967	0.8
66.67703	1.0
70.91231	1.9
71.01378	100.0
72.01729	2.0
72.99306	2.2
73.02942	50.0
75.00851	1.0
78.98578	1.1
83.01376	3.5
85.02934	8.9
87.00843	1.6
87.68311	0.8
89.02438	51.3
91.04007	2.4
101.02438	68.0
102.02773	1.9
103.03992	2.1
107.05006	1.4
108.02170	0.8
113.02455	2.0
115.03999	1.0
117.01931	13.4
119.03486	6.2
123.04514	2.9
131.03499	2.7
133.05054	9.7
136.01683	7.6
149.04539	2.9
151.04221	5.2
151.06102	54.4
152.06438	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	149.0454
Annotation	D-(-)-Arabinose
Peak:m/z	Relative Intensity
50.24863	0.8
56.19127	0.8
58.00576	0.9
59.01135	0.9
59.01378	10.0
65.77290	0.8
69.03447	2.3
71.01379	33.3
71.61684	0.8
72.99301	1.6
73.02941	21.2
75.00867	4.9
80.52959	0.8
85.02966	1.6
87.00877	11.8
89.02438	100.0
90.02757	2.0
97.36059	0.9
99.71593	0.7
103.04007	7.4
131.03484	14.7
149.04541	50.7
149.33655	0.9
150.04828	1.3
169.12489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07527	1.2
57.57150	1.3
59.01369	8.9
69.03441	2.3
71.01378	29.9
72.99316	2.6
73.02943	18.8
75.00871	13.7
85.02980	2.0
87.00874	11.9
87.84484	1.4
89.02440	100.0
98.19808	2.8
103.04026	6.0
121.02908	2.5
126.20695	1.3
131.03490	14.8
133.01596	2.0
149.02594	2.3
149.04541	53.4
166.76476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.061
Annotation	L-Arabitol
Peak:m/z	Relative Intensity
51.69059	0.5
55.01867	6.3
55.79946	0.4
57.03442	1.7
58.00588	2.3
59.01375	52.0
66.03456	0.7
67.01910	0.5
69.03457	0.7
69.72664	2.5
69.73067	0.9
71.01376	100.0
72.01709	1.9
72.99285	2.5
73.02941	48.2
74.03284	0.9
75.00869	0.7
77.62902	0.5
78.98598	1.1
83.01374	2.5
85.02943	10.1
87.00861	2.2
89.02436	48.3
90.02789	0.7
91.02878	0.7
91.04021	2.8
94.95697	0.8
95.06233	0.5
96.23335	0.5
97.02908	1.0
98.19941	0.6
99.00895	0.7
101.02435	67.7
102.02747	1.7
103.04014	1.1
107.05006	1.8
108.02154	1.2
108.04566	0.6
113.02414	1.4
115.04025	1.6
117.01929	17.5
119.03494	5.2
122.03712	0.8
123.04500	2.2
131.03485	3.9
132.24336	0.5
133.05054	9.0
136.01648	5.4
149.04517	2.4
151.04007	5.3
151.06104	57.6
152.03502	1.0
152.06461	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03424	5.5
59.01379	45.9
69.42927	9.0
69.43340	25.9
71.01382	100.0
72.99313	6.2
75.00876	17.8
76.53746	4.2
83.01402	4.8
84.99310	7.5
85.02956	5.5
86.77322	4.0
87.00866	7.6
89.02453	9.5
98.19882	7.1
99.00875	50.7
101.02440	8.8
113.99816	3.9
119.05055	15.0
129.01874	9.9
147.01953	7.8
147.03227	7.6
147.04509	75.0
148.04936	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0662
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
54.99599	3.3
57.03230	3.4
57.03448	42.1
57.33587	3.0
58.00629	2.9
59.01379	34.7
69.39574	21.4
71.01382	29.5
71.05019	18.4
72.99296	14.5
73.02929	12.6
75.00862	9.2
83.05017	8.1
85.02951	100.0
87.00866	34.4
89.02425	3.4
99.00935	6.3
101.02433	46.8
101.06081	23.2
103.03987	18.6
103.05952	7.1
129.01904	14.3
129.03839	4.3
129.05571	3.6
147.02934	13.5
147.06619	94.9
148.06972	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	145.0869
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.39922	1.4
60.50673	1.6
69.48849	4.5
69.49263	7.1
73.45892	1.6
74.59217	1.4
96.61991	1.4
97.06583	3.4
99.08152	100.0
100.08481	3.1
145.08698	61.3
146.02478	2.2
146.09003	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	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11557	1.0
53.90514	0.9
71.46197	1.7
73.07075	0.9
73.66329	0.9
76.73653	0.8
85.02970	1.0
88.23305	1.0
101.03430	1.1
102.05602	100.0
103.05952	3.1
125.29713	0.9
128.03532	40.4
129.03838	2.1
146.04597	22.4
146.86667	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	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67390	0.8
57.03442	7.2
59.01381	11.1
70.51970	1.9
70.52367	1.9
71.01369	5.4
71.05013	2.6
72.99320	1.7
73.02950	1.1
74.02473	1.8
75.00913	2.1
84.04533	1.2
85.02946	21.5
87.00870	28.9
99.00869	2.8
101.02431	2.6
101.06082	7.2
102.05602	100.0
103.03979	2.1
103.05930	3.0
109.32825	1.2
128.03531	46.6
129.01938	7.5
129.03889	2.0
132.16277	0.9
139.59251	0.9
142.70296	0.9
146.04579	22.8
146.86682	1.0
147.02995	14.7
147.06619	6.6
155.11218	1.0
159.94385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0142
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01874	4.1
57.03435	7.8
59.01370	10.2
61.89566	2.5
62.72992	2.5
65.16371	2.5
66.37951	2.4
69.91315	8.3
71.01374	26.5
72.99302	6.6
73.02922	6.6
83.01373	9.2
84.71875	2.5
87.00858	16.9
101.02435	32.4
102.05600	26.8
115.00359	22.0
115.36221	2.5
121.38561	2.5
127.00323	14.0
128.03528	10.2
144.96465	100.0
145.01404	12.9
145.05022	3.1
146.04602	5.6
156.54866	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	145.0142
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
56.89484	2.3
57.03442	6.0
59.01365	7.3
70.45005	4.7
70.45338	3.7
71.01383	13.3
71.19862	2.4
72.99293	4.7
73.02946	3.9
74.02493	2.9
80.18943	2.1
83.01386	5.2
84.04553	4.3
87.00854	6.4
101.02425	26.1
102.05600	100.0
109.04067	2.7
115.00339	12.4
127.00334	5.6
127.05109	4.1
128.02672	3.6
128.03537	41.7
145.01433	8.8
145.06187	3.5
146.04570	23.0
153.33005	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	145.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.1
57.03435	7.8
59.01370	10.2
61.89566	2.5
62.72992	2.5
65.16371	2.5
66.37951	2.4
69.91315	8.3
71.01374	26.5
72.99302	6.6
73.02922	6.6
83.01373	9.2
84.71875	2.5
87.00858	16.9
101.02435	32.4
102.05600	26.8
115.00359	22.0
115.36221	2.5
121.38561	2.5
127.00323	14.0
128.03528	10.2
144.96465	100.0
145.01404	12.9
145.05022	3.1
146.04602	5.6
156.54866	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	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	19.3
54.71742	3.2
57.69292	2.8
59.01369	10.6
67.01884	25.2
68.99818	4.4
69.73373	19.0
71.01382	51.1
77.54004	3.1
80.99796	5.5
81.03425	3.2
82.41306	3.0
83.01393	3.1
85.02932	7.5
87.00860	11.6
95.14378	3.4
96.99300	19.7
99.04522	11.6
111.00869	76.1
112.98810	21.5
115.00344	4.3
124.98790	50.2
140.98251	10.3
142.99847	100.0
143.03502	3.3
144.00197	5.9
144.82965	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	143.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56989	2.3
53.00296	4.9
58.00578	3.2
59.01336	2.3
59.13739	2.3
65.30946	2.1
67.01882	32.1
69.56257	9.4
69.56678	7.2
71.01385	15.3
87.00858	3.3
96.99307	4.6
99.04508	11.1
111.00876	100.0
112.01181	4.5
112.98789	8.7
115.03996	6.9
119.60543	2.2
124.98795	17.2
140.82394	2.3
140.98370	2.7
142.99858	44.5
144.00185	2.2
145.08206	2.7
162.43185	2.0
163.40224	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	144.0454
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
66.34366	0.2
69.51437	1.3
71.05350	0.2
85.02924	0.2
95.76295	0.2
98.20596	0.4
99.08144	0.3
99.90991	0.2
101.06084	0.3
116.05045	1.3
117.03439	0.2
126.03473	0.7
129.03937	0.2
135.45866	0.2
142.02982	0.3
143.03865	0.2
144.04539	100.0
144.96477	0.3
145.04904	7.0
145.08641	0.3
152.93480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0454
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
51.69653	0.2
61.98817	0.7
70.75862	0.3
70.76192	0.5
71.01354	0.3
74.40576	0.2
81.03452	0.2
83.05032	1.9
99.08168	0.2
101.06072	1.8
108.88921	0.2
116.05075	2.1
126.03470	0.8
132.56880	0.2
142.02943	0.4
144.04539	100.0
144.96501	0.5
145.04930	6.7
145.08620	0.2
155.46057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0196
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.44618	0.3
67.01887	0.3
69.92776	1.5
79.82860	0.3
83.01404	0.4
88.77951	0.3
93.03421	0.4
94.03795	1.0
94.98027	0.3
95.01424	0.4
108.02161	52.8
109.02461	2.5
111.00853	0.8
128.55444	0.3
138.01952	100.0
139.00378	0.8
139.02303	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	138.056
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
55.01864	2.4
61.98841	0.9
67.01897	1.9
69.03449	1.2
69.39607	5.9
69.40022	1.6
79.95720	1.8
83.01373	2.7
83.05011	1.2
93.03461	3.7
94.02936	1.2
94.03236	1.2
94.03780	11.0
94.98071	1.6
95.01393	1.4
95.05025	4.2
95.58009	0.9
103.62241	0.8
108.02141	6.2
110.02515	1.7
110.03261	1.4
111.00887	11.2
111.04489	1.3
120.04536	1.8
123.03258	71.0
124.01685	2.3
124.03584	3.2
136.00359	1.1
137.89200	1.6
138.01953	14.5
138.02817	8.4
138.05600	100.0
139.00391	8.0
139.03027	1.0
139.04008	5.7
139.05928	3.6
149.72627	0.9
157.88918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	12.4
53.26130	2.5
59.01370	6.5
68.99807	3.6
69.92021	9.8
71.01382	35.6
80.99820	6.0
83.01375	5.7
85.02953	2.9
87.00878	8.0
87.87363	2.6
96.99293	17.6
99.71333	2.5
111.00864	11.0
112.98795	19.0
115.00417	6.0
122.78987	3.0
124.98788	45.2
129.50777	2.5
140.98282	11.2
142.99847	100.0
144.00192	4.2
156.44019	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	136.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01796	1.1
56.02190	1.6
57.03452	1.9
58.03792	1.7
59.01376	13.6
60.01711	8.5
61.98822	2.1
69.44383	2.0
69.44795	7.9
69.96262	1.1
70.03752	1.9
70.73719	1.1
71.01378	21.8
72.01714	31.5
72.05336	1.8
72.99306	5.9
73.01784	1.8
73.02945	14.7
73.99628	4.0
74.03278	21.1
74.99075	2.9
75.00866	31.2
75.03335	1.4
76.01202	24.7
77.01279	4.6
79.95770	2.5
80.96479	1.9
81.03445	2.4
82.03789	15.1
85.02432	1.5
85.02946	33.4
86.03279	88.8
87.03357	5.0
88.01197	1.8
89.02438	6.5
90.02766	11.2
92.05046	1.5
93.03449	100.0
94.02960	1.9
94.40667	1.2
98.40797	1.2
99.92561	1.3
100.04834	4.0
101.02441	4.1
102.02771	14.8
103.03967	2.5
104.04340	9.8
108.02139	4.1
108.04532	2.0
109.02934	6.9
110.63811	1.1
116.04332	2.1
118.01118	3.5
118.02249	1.3
118.05887	5.3
121.77451	1.3
134.05350	2.2
135.89444	14.3
136.01654	6.5
136.03209	14.7
136.04134	1.7
136.04874	4.2
136.06935	14.3
136.89163	39.2
136.93965	5.0
137.02434	83.5
137.03395	4.4
137.06059	3.2
137.07063	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	135.0663
Annotation	1-Deoxy-D-ribitol
Peak:m/z	Relative Intensity
57.03439	1.9
58.00579	1.5
59.01373	17.9
66.64790	1.2
69.03437	1.4
71.01378	36.5
71.02019	2.5
71.05000	2.7
72.22526	1.2
73.02942	25.4
73.38443	1.1
75.00847	2.3
81.03460	12.0
83.01402	2.1
84.02180	2.1
85.02945	100.0
86.03255	2.5
87.00832	1.5
89.02433	10.6
99.04528	2.9
101.02421	10.1
103.04017	10.9
107.04953	1.5
115.04032	2.5
117.05564	4.2
133.05017	1.6
134.86519	2.9
134.89409	3.7
135.04500	7.4
135.06625	11.5
152.18417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0663
Annotation	2-Methylerythritol
Peak:m/z	Relative Intensity
57.03444	2.2
59.01373	20.0
65.93513	1.1
69.03441	1.4
71.01378	37.2
71.05012	3.5
71.18841	2.5
73.02942	31.6
75.00872	1.8
81.03460	14.6
84.02186	2.5
84.33874	1.3
85.02944	100.0
86.03278	4.2
87.04508	1.3
88.48288	1.0
89.02442	10.3
95.95985	1.1
99.04494	3.0
101.02436	12.9
103.04003	11.6
115.03979	1.3
117.05569	3.9
132.46344	1.2
132.59811	1.2
133.05005	1.4
135.04518	4.1
135.06621	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	135.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
57.48451	0.8
57.57217	1.0
59.01377	20.7
63.30812	1.2
69.03452	2.1
71.01376	40.1
71.01721	2.3
71.05017	1.8
72.99306	1.7
73.02943	34.5
73.03339	2.1
75.00853	5.5
81.03455	12.8
83.01341	1.2
83.38664	1.1
84.02143	2.3
85.02945	100.0
86.03278	2.8
87.00880	1.3
87.04509	1.1
89.02435	11.1
93.27934	1.1
93.33955	1.1
95.34167	1.1
97.01865	1.0
99.04523	3.0
101.02441	13.0
102.18611	1.1
103.04015	11.9
111.42596	0.9
115.04020	1.5
117.05560	4.9
126.43798	1.1
133.05040	1.6
134.86528	1.3
134.89467	2.9
135.02962	2.3
135.04500	3.8
135.06641	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
58.07159	0.9
59.01373	11.8
62.25488	0.9
70.99245	1.8
71.01381	6.0
72.99298	14.5
73.02938	0.8
75.00866	100.0
76.01212	1.1
77.39429	1.0
85.02934	1.3
87.00879	3.5
89.02438	10.3
96.96970	1.1
117.00771	1.6
117.01893	1.8
120.19428	0.8
134.88353	5.4
134.89471	7.1
135.02985	35.8
135.04572	3.1
135.06418	0.8
142.63016	0.9
153.16818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0663
Annotation	1-Deoxy-D-ribitol
Peak:m/z	Relative Intensity
56.35289	1.2
57.03436	1.6
59.01377	19.6
69.03442	2.4
70.80717	2.9
71.01381	41.1
71.05009	3.6
72.01669	1.4
72.99303	2.0
73.02940	35.5
75.00887	6.2
81.03454	13.9
84.02143	2.5
85.02948	100.0
86.03288	2.5
87.56570	1.3
89.02439	11.9
99.04511	3.2
101.02438	12.3
103.03980	12.0
115.04021	2.5
117.05551	4.3
121.43878	1.3
133.05086	1.5
134.25647	1.3
135.02983	2.5
135.04491	2.3
135.06633	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	130.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98196	1.1
56.92027	0.9
57.40120	0.9
58.38924	1.0
71.24290	2.2
73.02933	1.0
73.80550	1.0
77.47884	1.2
86.03265	1.0
87.04516	1.0
88.04033	0.9
130.08728	100.0
131.09030	4.1
132.40244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	Leucinic acid
Peak:m/z	Relative Intensity
57.03450	3.1
59.01382	3.6
68.99794	1.6
69.03463	6.9
71.01383	9.5
71.17057	3.0
72.99303	2.1
73.02937	17.9
75.00864	1.4
85.02959	7.7
85.06583	100.0
86.06931	3.2
87.04517	8.8
101.02440	1.7
106.53284	1.4
113.02451	2.2
113.06046	1.9
129.05602	2.3
131.03502	4.9
131.07124	56.1
131.09131	1.8
132.07433	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	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05479	0.7
59.01372	0.8
62.32093	0.9
70.90712	2.2
71.01375	64.8
72.01702	1.3
72.99299	12.2
87.00854	5.2
89.02427	7.2
115.00362	100.0
116.00686	3.2
133.01418	27.7
133.05034	5.5
134.01738	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01364	1.6
59.34633	0.9
61.48038	0.9
61.74472	0.8
71.01376	58.7
71.23888	1.0
72.01723	1.7
72.99299	12.2
73.73338	0.8
87.00869	2.0
89.02439	6.3
101.61592	0.8
115.00362	100.0
116.00706	3.4
117.38319	0.8
133.01419	31.6
133.05051	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66671	0.8
69.88775	3.5
71.01376	59.0
72.01708	1.0
72.99303	13.4
87.00871	1.6
89.02431	6.7
95.38904	0.8
115.00362	100.0
116.00697	2.6
128.03891	0.8
133.01421	29.9
133.05017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
52.94140	16.4
53.94276	16.6
57.03423	14.0
59.01373	16.0
71.02444	14.6
71.02795	32.2
81.88004	13.6
85.02944	100.0
128.90179	50.7
129.01961	20.4
129.05569	98.4
130.08722	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
57.03434	7.7
59.01370	3.1
68.84636	2.1
70.04385	2.5
71.01383	3.8
71.07560	6.4
83.05041	14.2
85.02940	9.3
85.06582	100.0
86.06942	2.7
93.68972	2.5
97.53563	2.8
101.02399	2.9
111.04511	33.3
128.90137	11.1
129.01932	5.6
129.05562	50.8
130.08714	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63607	1.0
53.05072	1.1
57.03417	1.2
62.45940	1.0
66.96647	1.0
67.01883	2.6
69.24073	1.1
70.80379	2.3
77.11378	1.1
81.17696	1.1
85.02945	100.0
85.93482	1.1
86.03279	2.8
93.72025	1.2
129.01917	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	129.0194
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
52.31311	0.6
57.03445	0.6
67.01871	1.3
67.95366	0.7
69.47617	4.5
69.48025	1.2
85.02947	100.0
86.03288	3.2
88.04014	0.7
128.89188	1.2
129.01950	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.84900	0.3
64.91882	0.2
69.63802	1.2
71.01356	0.4
71.23983	0.3
84.75113	0.2
85.36011	0.3
91.01879	0.8
92.02643	0.2
93.03466	1.5
94.02988	0.9
95.01401	0.7
105.62823	0.2
108.02184	2.2
121.02943	100.0
122.02448	0.6
122.03273	3.9
122.17796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.72325	0.3
55.01867	0.7
71.01354	0.4
73.02944	100.0
74.03271	2.7
77.59379	0.3
91.82629	0.4
99.00879	8.5
114.96677	0.4
117.01934	17.2
118.02277	0.6
124.61910	0.4
129.61940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70029	0.5
55.01863	1.1
70.64094	0.5
70.94267	1.0
73.02940	100.0
74.03282	2.2
84.33037	0.4
86.11308	0.4
96.47975	0.4
98.03315	0.3
99.00870	9.3
116.92835	1.6
117.01935	17.3
118.02253	0.6
127.80961	0.4
136.93192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28568	0.5
70.56982	1.1
70.57339	0.9
71.01380	0.4
73.02941	100.0
74.03269	2.1
99.00870	9.8
116.92865	1.1
117.01929	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	1193.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	2.0
85.02946	6.4
85.03442	0.5
87.00887	0.7
89.02435	45.4
90.02754	0.6
93.03439	0.3
95.01411	1.1
97.02948	2.3
99.00873	85.3
100.01182	1.1
101.02431	12.9
102.02737	0.3
105.94524	0.2
107.01375	0.4
107.49010	0.2
108.02165	0.5
111.00858	0.3
113.02441	17.4
114.02782	0.3
114.90273	0.2
119.03474	2.6
119.85181	0.2
121.02975	0.4
124.28985	0.2
125.02439	8.7
126.02827	0.3
127.04002	0.9
131.03496	20.8
132.03825	0.3
136.01646	6.7
137.02429	0.2
143.03490	9.1
144.03796	0.2
149.04541	100.0
150.04886	1.8
151.00323	0.2
151.03995	7.3
155.03482	6.3
160.05249	0.3
161.04543	4.8
173.04614	0.4
185.04552	0.7
188.88982	0.3
191.05589	41.8
192.05908	1.2
197.60396	0.2
203.05588	27.6
204.05899	0.8
223.08194	0.2
233.06636	36.8
234.06952	1.2
251.07755	1.1
275.07654	2.1
276.08237	0.2
281.08255	0.3
293.08716	1.5
309.07742	0.3
335.09793	26.0
336.10071	1.0
342.11127	0.3
344.05695	0.2
346.36447	0.2
353.10849	11.9
354.11322	0.5
357.13385	6.0
501.30853	0.5
561.32465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0506
Annotation	Indole
Peak:m/z	Relative Intensity
53.80207	0.5
59.01366	3.2
71.01369	2.1
71.05035	2.3
71.05357	0.5
71.61673	0.6
72.04544	1.3
72.99310	0.5
73.02940	54.0
74.02464	10.6
79.37666	0.5
79.99953	0.6
81.03433	0.9
81.05323	0.5
83.15022	0.6
99.00872	4.4
99.92574	30.8
104.39573	0.4
116.02524	2.2
116.05053	64.7
116.07166	12.9
116.07954	1.1
116.92849	100.0
117.01933	8.8
117.05444	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	1155.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	2.4
83.01382	1.8
83.05028	0.5
84.02144	0.4
85.02940	6.6
86.00100	0.4
87.00870	3.2
87.04507	1.2
89.02431	0.8
93.03449	0.5
95.00861	0.2
95.01376	1.2
95.05017	0.2
97.02938	3.6
99.00871	1.7
99.04510	2.4
99.08150	0.3
101.02429	3.1
101.06075	7.4
102.06459	0.2
105.03438	0.2
109.02950	1.0
111.04513	0.6
112.01653	0.3
113.02435	2.2
113.06048	0.2
115.03978	0.4
117.05565	4.3
118.66455	0.2
119.03500	0.2
123.04514	0.7
124.01656	0.6
125.02427	5.3
126.03197	1.6
127.04006	2.8
132.25206	0.2
138.03212	0.2
139.04007	1.2
141.01913	0.3
142.02644	0.2
143.03511	1.3
145.05089	0.4
149.02444	0.4
150.93550	0.2
151.03911	0.3
152.99500	0.3
191.05661	0.2
225.07755	0.3
225.22273	0.5
253.21661	2.4
255.23277	0.3
269.21255	0.5
271.22742	24.1
272.23099	1.6
285.24249	1.1
295.22693	0.3
299.01828	0.3
300.02393	0.4
313.23782	1.6
399.27481	4.6
400.27655	0.4
417.28525	34.6
418.28891	2.8
441.28488	0.6
446.08292	0.3
459.29895	1.2
469.28006	0.3
483.29120	0.2
487.29263	0.3
496.76169	0.2
525.30548	0.5
543.31934	1.0
544.31128	0.2
561.32715	11.6
562.33234	1.0
579.33783	12.5
580.34149	1.3
617.35559	0.6
635.36450	4.5
636.37268	0.5
661.38116	0.8
679.38983	5.8
680.39386	0.3
816.43408	0.2
935.49371	0.3
953.47968	0.4
1009.52625	1.3
1027.53235	0.3
1037.55029	1.6
1038.56091	0.4
1053.54688	4.6
1053.77234	0.3
1054.54529	0.7
1055.55933	1.1
1071.55908	0.8
1111.58850	9.9
1112.58850	1.7
1137.60327	1.9
1138.60425	0.4
1155.61499	100.0
1156.61841	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	1150.6287
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05015	0.2
91.01855	0.1
96.41318	0.1
96.96010	0.2
96.96953	0.2
122.00136	0.2
127.07668	0.2
140.01181	2.1
152.99579	1.4
171.00684	0.7
191.05609	0.3
196.03795	1.2
214.04848	3.3
219.14014	0.1
233.22705	0.4
258.59830	0.1
259.20633	0.6
260.20926	0.1
275.20032	0.6
277.21686	100.0
278.22015	5.7
331.37466	0.1
474.26205	66.1
475.26569	4.9
475.33652	0.2
490.98541	0.2
675.35052	0.3
694.22803	0.1
881.81464	0.1
891.24615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95319	0.2
79.95730	6.2
80.96511	35.0
81.03448	0.3
83.01379	0.2
85.02946	1.2
87.00871	1.3
93.97334	0.1
94.98080	9.7
95.01398	0.3
95.05876	0.1
96.95997	0.7
97.02936	1.0
99.00867	0.3
99.04539	0.1
101.02436	1.6
106.98081	1.6
109.02946	0.1
112.09779	0.1
113.02455	0.3
122.97575	3.5
122.98479	0.2
125.02446	2.0
127.03973	0.7
134.97575	2.8
136.99141	0.8
143.03468	0.1
146.97568	0.2
148.99127	3.6
150.97125	0.1
152.98622	4.8
161.04552	0.1
164.98613	7.6
167.00130	0.4
176.98669	0.1
181.53262	0.1
182.19949	0.1
182.99667	1.7
188.98599	0.2
206.99660	2.5
225.00717	15.6
226.01097	0.5
229.55678	0.1
243.01759	1.8
277.21695	1.9
277.55606	0.1
278.21738	0.1
299.04391	2.9
300.04776	0.1
317.05499	0.2
503.69913	0.1
527.99426	0.1
577.26788	100.0
578.27118	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	115.0036
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.05365	3.4
53.23658	3.1
59.01386	4.5
70.00191	18.5
71.01376	100.0
115.00375	12.0
116.07168	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	115.0765
Annotation	dimethyl ethyl acetic acid
Peak:m/z	Relative Intensity
57.06723	1.6
59.01369	1.7
64.81617	1.4
69.28707	5.6
69.29136	8.6
71.01366	4.3
71.05025	3.2
76.90426	1.3
97.93130	1.9
104.00547	1.3
111.49908	1.6
114.93393	9.1
115.04032	2.7
115.07637	100.0
116.07150	8.5
116.07976	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	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
52.98944	1.1
55.01848	1.3
57.22776	1.4
67.01885	33.7
68.02216	1.9
70.67583	3.2
78.95896	100.0
83.01385	6.4
102.99693	1.2
110.98527	3.8
111.00869	52.8
112.01206	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	1123.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	58.4
96.96951	4.1
103.75822	0.1
150.97968	1.1
152.99568	63.8
153.99895	0.5
163.34431	0.2
171.00620	16.9
172.00981	0.3
199.33919	0.1
227.03238	3.3
245.04271	73.6
246.04599	1.3
253.21686	36.2
254.22006	1.7
365.52435	0.1
481.25632	100.0
482.25958	6.5
482.33051	0.2
539.53088	0.1
555.18341	0.1
602.91266	0.2
641.22040	0.2
667.48376	0.1
759.50793	0.2
795.22577	1.3
796.23193	0.3
895.44672	0.6
911.92670	0.2
1091.46130	0.3
1123.48828	26.2
1124.48950	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	113.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.0
62.00866	2.6
65.29942	2.5
66.69447	2.7
68.99569	100.0
69.03446	3.6
69.58901	5.3
69.59303	15.6
69.99928	3.3
71.01369	3.8
76.81339	3.1
83.01382	3.4
84.02160	5.1
85.02950	30.3
98.20630	3.8
112.98560	3.5
113.02429	12.2
114.05589	7.8
114.62653	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	1135.7112
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05032	0.1
81.03452	2.9
83.01383	4.9
83.05019	7.0
84.05344	0.1
85.02951	1.4
87.00864	0.2
89.02437	2.4
93.03432	0.3
95.01383	0.6
97.02921	0.4
99.00871	1.6
100.07635	0.2
101.02435	12.3
102.02789	0.2
107.06146	0.2
108.04536	0.2
113.02441	5.1
116.78323	0.1
119.03491	1.7
125.02413	0.7
125.07167	0.5
126.05571	0.3
131.03508	1.7
135.04488	0.2
143.03485	1.5
143.08208	0.2
147.03065	0.1
149.04539	4.4
155.03459	0.5
161.04539	4.6
161.09734	0.1
166.02650	0.3
173.04521	0.7
181.05049	0.3
187.11214	0.1
191.05605	1.3
203.05600	1.3
207.14963	0.6
221.06627	2.0
224.17685	1.6
225.16055	9.5
226.16389	0.4
230.39246	0.1
233.06618	0.4
242.18671	0.4
268.16602	0.2
290.22299	0.2
309.21722	0.4
324.26489	0.5
333.22870	0.3
335.09738	0.3
337.69034	0.1
339.27374	0.1
341.29129	0.6
350.19345	0.1
367.27039	1.2
371.21017	0.1
385.28204	0.2
407.33597	0.3
413.21881	0.4
417.15433	0.3
418.15726	0.2
433.31696	1.0
450.34418	1.1
451.32855	7.7
452.32916	0.4
463.55508	0.1
468.35260	0.2
535.38904	0.2
547.16278	0.2
547.23950	2.8
548.24316	0.3
550.43292	1.2
551.43140	0.1
559.39758	0.4
565.44263	0.4
567.45966	0.2
577.41132	0.1
593.43530	0.7
659.48505	2.6
660.48761	0.3
677.49615	100.0
678.49927	11.6
679.50366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01853	2.4
58.01625	1.5
60.62874	1.3
64.46929	1.3
65.65368	1.4
67.01884	50.1
68.02216	1.5
70.67926	4.4
78.95899	100.0
83.01383	6.3
90.15846	1.5
103.76460	1.8
110.98563	2.8
111.00873	76.6
112.01204	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	111.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.2
67.01885	9.9
67.54238	0.5
69.83967	3.1
71.01365	1.3
78.95898	100.0
83.01379	14.9
83.20057	0.6
110.97636	1.0
110.98518	3.8
111.00871	16.5
111.01982	0.7
112.01273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
77.43520	0.1
78.95900	0.7
78.98586	2.6
79.95337	0.1
79.95728	5.5
80.96510	29.4
81.03452	0.3
82.25806	0.1
83.01366	0.2
85.02946	1.2
87.00871	1.3
91.03990	0.1
93.97218	0.1
94.98078	8.1
95.01347	0.1
96.47180	0.1
96.96016	0.6
97.02941	0.9
99.00874	0.2
101.02438	1.6
106.98074	1.5
109.02945	0.1
113.02440	0.3
120.99646	0.1
122.97575	3.2
124.37685	0.1
125.02431	1.9
126.02696	0.1
127.04001	0.5
134.97574	2.3
136.99153	0.6
143.03502	0.1
145.88295	0.1
146.97531	0.2
148.99129	3.4
152.98613	4.2
164.98611	6.8
165.98955	0.1
167.00166	0.3
168.04253	0.3
176.98569	0.1
179.00264	0.1
182.99654	1.5
188.98621	0.2
191.05580	0.1
206.99667	2.1
224.06920	0.2
225.00714	14.1
226.00960	0.3
242.07983	0.5
243.01744	1.5
261.22165	0.1
277.21689	1.7
279.23251	17.6
298.03964	0.1
299.04358	2.7
300.04587	0.1
317.05362	0.1
340.90170	0.1
355.38199	0.1
378.65741	0.1
411.59647	0.1
504.30911	15.5
519.27393	0.1
577.26782	100.0
578.27051	9.2
578.34644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6764
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	5.8
78.98582	1.5
79.95724	3.1
79.96178	0.2
80.96508	17.7
81.03438	0.2
81.96468	0.2
82.96106	0.4
84.02776	0.1
85.02940	0.6
87.00864	0.8
89.43368	0.1
94.98076	4.5
96.95982	0.3
96.96961	0.1
97.02954	0.5
101.02437	0.8
106.98077	0.9
122.97566	1.7
122.98416	0.1
124.97060	0.1
125.02431	0.8
126.02785	0.1
127.03985	0.4
128.28523	0.1
134.97591	1.4
136.99126	0.4
142.69046	0.1
146.97540	0.2
148.99121	2.0
149.99318	0.1
152.98598	1.8
152.99599	1.0
153.98846	0.1
164.03461	0.1
164.98604	3.7
165.98975	0.3
166.98210	0.1
167.00168	0.2
168.04263	1.6
182.99651	0.7
188.98528	0.2
206.99677	1.2
224.06921	0.9
225.00711	7.2
226.01038	1.1
240.12569	0.1
242.07948	2.3
243.01801	0.8
261.22214	0.4
277.21667	0.7
278.22086	0.3
279.23242	100.0
280.23590	5.1
299.04391	1.4
300.04669	0.3
327.93933	0.1
420.30783	0.1
504.30884	81.8
505.31204	5.8
519.27307	0.8
577.26788	29.2
578.27020	29.4
578.34778	3.2
579.26923	3.0
579.34930	0.3
743.05054	0.1
935.64404	0.1
982.25525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6461
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	7.2
83.05008	0.3
93.03479	0.1
96.96004	0.2
96.96970	0.2
97.06591	0.1
104.57800	0.1
113.06125	0.1
127.07643	0.2
133.03050	0.1
152.90416	0.1
152.99564	1.9
168.04292	1.9
171.00739	0.1
173.04497	0.1
173.35599	0.1
191.05582	0.2
205.19655	0.1
224.06895	1.2
233.22798	0.6
242.07965	3.1
259.20651	0.6
275.20108	0.5
277.21686	100.0
278.22025	4.8
431.22034	0.1
483.83551	0.1
502.29346	95.4
503.29688	6.1
517.25714	0.8
576.32996	4.4
577.33344	0.5
731.74158	0.1
865.77448	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95918	0.6
81.03434	2.7
83.01403	2.2
83.05031	1.0
85.02951	8.9
86.00098	0.6
87.00872	4.5
87.04500	0.7
89.02427	2.7
93.03436	0.6
95.01384	1.9
96.95995	1.5
97.02937	7.3
99.00877	1.5
99.04504	2.8
99.08192	0.5
101.02448	4.2
107.05089	0.4
109.02945	1.2
113.02439	3.5
117.05567	5.2
119.03497	0.7
121.02885	0.5
123.00865	0.5
123.04524	0.9
124.01665	0.5
125.02441	9.3
126.03178	1.4
127.03977	2.3
139.04039	2.1
143.03467	2.0
149.02434	0.7
151.03978	0.4
161.04459	0.5
166.02718	0.5
167.03452	0.4
225.22229	0.7
253.21606	2.9
255.23111	0.5
269.21149	0.6
271.22748	25.0
272.23148	1.5
285.24332	0.7
313.23746	1.5
320.16125	0.4
383.28400	0.6
399.27414	6.2
417.28537	40.3
418.29013	2.1
431.30524	0.4
441.28558	0.5
543.31329	0.6
561.32776	3.0
579.33820	6.4
635.36365	1.2
707.38928	1.2
723.38208	0.7
725.39844	1.6
741.39417	2.3
841.45068	0.8
869.44788	0.7
881.47711	0.6
925.46851	1.8
943.47144	1.2
969.48828	5.0
970.50238	0.6
987.49066	3.4
999.50079	5.1
1025.51941	2.0
1043.52759	33.4
1044.52820	3.6
1069.54407	5.4
1070.56616	0.6
1087.55322	100.0
1088.55664	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	1081.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.5
85.02957	0.2
87.00917	0.1
89.02433	0.1
93.03434	0.4
95.01334	0.2
99.44732	0.1
101.02465	0.2
107.01379	1.2
108.57172	0.1
119.82343	0.1
125.02425	0.2
132.02188	0.5
135.00874	0.6
137.02390	0.2
143.05026	0.2
151.00348	2.6
152.01128	0.2
154.04300	0.1
159.04492	0.3
163.00357	0.8
164.01132	0.5
165.01813	0.1
167.04973	0.2
169.01421	0.3
169.06543	0.2
171.04475	0.2
178.99873	1.1
183.04471	0.7
185.02393	0.3
185.06067	0.7
187.03960	0.7
189.05479	0.3
190.99840	0.1
192.00600	0.2
195.04495	0.3
196.05260	0.3
197.05934	0.3
199.03954	0.3
200.04768	0.3
201.05595	0.2
211.03938	1.2
212.04654	0.2
213.01965	0.1
213.05513	0.5
226.02603	0.1
227.03467	22.7
228.03900	1.2
229.05016	2.3
231.25023	0.1
239.03513	0.9
240.04218	0.3
241.04964	0.4
255.02951	44.8
256.03564	4.9
257.04495	2.3
258.04706	0.1
267.02783	0.2
281.04480	0.2
283.02432	1.1
284.03220	70.3
285.03943	21.2
286.04361	0.8
299.05627	0.1
309.04077	0.3
327.05179	1.0
339.04910	0.3
357.06305	0.3
393.06070	0.3
575.13953	0.4
593.15326	0.3
632.06616	0.2
725.19244	100.0
726.19617	9.7
910.69818	0.2
950.15643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.5
89.43038	0.1
91.01893	0.2
93.03496	0.2
98.20687	0.3
107.01383	1.8
108.02166	0.8
109.02927	0.7
113.29303	0.1
121.02958	0.9
124.01627	0.2
125.02442	0.3
135.00873	0.4
142.06984	0.1
148.01620	0.7
149.02406	0.4
151.00352	7.5
153.01880	0.1
163.00333	1.4
163.04027	0.2
164.01134	0.3
169.01410	0.4
170.62910	0.2
173.04622	0.2
178.99834	3.7
180.28191	0.1
183.04466	0.3
187.03947	0.3
190.02563	0.2
190.99854	0.3
191.05525	0.2
192.00618	0.3
193.01465	0.2
199.03951	0.3
201.05551	0.3
203.03369	0.2
211.03969	0.7
215.03474	0.3
216.04274	0.5
220.79442	0.2
224.23711	0.2
226.02655	0.8
227.03474	1.7
228.04202	0.2
229.05032	0.5
239.03371	0.2
243.02940	5.4
244.03606	0.3
245.04483	0.8
254.02136	1.5
255.02951	17.2
256.03397	0.7
271.02438	34.8
272.02930	2.2
273.03973	0.7
283.02429	0.8
299.01962	1.1
300.02710	72.0
301.03452	28.4
302.03833	1.2
343.04489	0.7
447.09293	5.2
448.09561	0.4
463.08298	0.3
466.66473	0.1
493.13757	0.2
514.45313	0.1
609.14502	100.0
610.14838	8.8
610.24976	0.3
611.14948	0.2
616.27051	0.2
620.04779	0.2
717.30408	0.2
759.92688	0.2
952.86371	0.2
1107.73303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00860	0.3
81.03463	0.3
83.01376	1.3
83.05019	0.5
85.02947	5.0
85.04445	0.1
87.00861	0.8
89.02438	8.0
93.03479	0.1
95.01376	1.3
97.02946	0.8
98.20590	0.2
99.00874	17.4
100.01185	0.2
101.02437	7.0
107.05017	0.2
109.02954	0.2
109.10914	0.1
111.00877	0.3
112.01679	0.6
113.02444	8.7
119.03492	1.5
121.06575	0.2
121.10246	0.1
123.08151	4.9
124.08422	0.1
125.02426	1.4
127.03943	0.1
131.03497	2.4
134.52547	0.1
137.02402	0.2
137.09700	1.9
138.06816	0.1
143.03506	1.6
149.04541	5.7
153.09177	0.4
155.03522	0.7
155.07478	0.1
155.08670	0.2
159.03003	0.7
161.04544	4.2
162.04857	0.2
163.11276	4.6
171.11816	0.4
173.04543	0.2
173.09695	0.5
179.05608	0.9
185.04552	0.2
187.11266	0.3
189.12831	9.3
190.13171	0.4
191.05592	5.5
191.69191	0.1
192.05946	0.1
203.05602	2.0
207.13873	10.0
208.14240	0.3
225.14957	1.8
233.06628	2.2
293.08719	0.2
321.17007	0.2
335.09784	1.2
342.90826	0.1
353.10886	0.5
369.19312	0.3
387.20334	0.8
429.16962	0.5
429.22226	1.1
473.15982	0.2
501.23407	8.3
502.23730	0.5
519.24414	20.6
520.24756	1.4
561.25458	100.0
562.25745	7.7
563.26208	0.3
845.19659	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	1077.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00851	0.2
80.96495	0.2
81.03423	0.1
83.01381	1.4
83.05012	0.5
85.02945	4.0
87.00890	0.8
89.01900	0.3
89.02435	4.3
93.03434	0.5
93.99762	0.2
95.01371	1.0
97.02944	0.7
97.85036	0.1
98.20621	0.3
99.00870	5.1
99.01510	0.3
101.02432	5.5
109.02904	0.1
109.06572	0.2
109.29893	0.1
111.04504	0.2
112.01660	0.6
113.02439	6.1
118.98094	0.3
119.03484	1.1
121.06602	0.3
122.03711	0.2
123.08159	4.5
124.08431	0.2
125.02413	0.7
125.05984	0.2
129.01891	0.2
131.03456	0.6
135.08040	0.2
135.17926	0.2
136.05267	0.4
137.09715	1.3
138.06859	2.1
139.07611	0.4
143.03470	0.9
149.04555	0.9
151.03896	0.2
151.07620	1.2
152.08417	2.9
153.09195	7.0
155.03490	0.3
159.03003	0.7
161.04533	3.7
161.09712	0.2
163.11264	4.8
164.11525	0.2
171.11783	0.3
173.04549	0.4
173.09671	0.3
179.05580	0.5
189.12828	6.0
190.13152	0.3
191.05571	1.8
201.44345	0.1
203.05617	0.4
205.12306	3.1
207.13866	9.2
208.14159	0.4
216.02921	0.1
221.06682	0.2
223.13358	1.1
225.00632	0.2
225.14928	1.3
233.06602	0.2
311.70786	0.2
335.09827	0.2
367.17554	7.6
368.17856	0.4
369.18933	0.2
385.18573	1.0
387.20142	0.9
416.19775	0.2
427.19635	9.7
428.19821	0.4
429.21207	1.2
449.14328	0.3
471.15567	1.1
499.22104	0.2
501.23471	0.8
517.23077	0.4
519.24384	7.2
520.24725	0.4
559.23889	2.4
560.24371	0.4
561.25427	100.0
562.25775	7.0
563.26526	0.2
751.02130	0.2
802.99146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.5639
Annotation	Tyrianthinic acid I
Peak:m/z	Relative Intensity
73.02924	1.6
81.03442	1.6
83.01382	2.6
85.02951	8.6
86.00106	0.7
87.00855	2.2
89.02447	2.6
95.01387	1.3
97.02948	2.6
99.04500	1.8
101.02425	4.5
101.06081	8.6
109.02936	1.5
113.02415	3.9
122.15899	0.5
125.02428	4.2
126.03196	2.3
127.04015	2.7
139.04080	0.6
143.03528	1.1
194.23534	0.5
210.59520	0.6
225.22110	0.6
253.21698	2.6
271.22751	27.3
272.23044	1.6
285.24365	0.6
307.19180	0.7
313.23798	1.5
399.27408	4.4
417.28531	43.7
418.28943	2.3
441.28506	0.7
522.71429	0.6
561.32544	4.6
579.33783	24.2
580.34064	2.1
622.25153	0.6
662.02448	0.5
805.68555	0.6
932.06097	0.6
953.49463	6.1
971.50397	0.8
1055.56335	100.0
1056.56580	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	1063.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	13.0
92.81859	5.1
96.95985	5.4
116.03853	5.6
146.26465	5.2
152.99571	21.5
154.63055	4.9
205.88632	5.5
277.21725	29.9
280.30634	5.5
549.28406	100.0
550.28619	10.0
556.98877	5.7
954.70612	6.2
1063.52222	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	1071.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95881	0.9
81.03459	3.1
83.01361	1.7
83.05029	0.8
85.02941	7.3
86.00094	0.6
87.00874	3.0
87.04491	0.5
89.02441	2.2
95.01374	1.4
95.04989	0.5
97.02950	5.5
99.00851	1.4
99.04504	2.5
101.02441	2.9
101.06068	3.4
108.35242	0.4
109.02928	1.2
111.04476	0.5
113.02444	2.9
117.05573	4.2
119.03476	1.2
119.54485	0.3
123.00804	0.5
123.04485	0.5
124.01627	1.0
124.38257	0.4
125.02432	7.6
126.03184	1.4
127.03994	1.8
135.04431	0.4
139.03961	1.6
143.03464	1.5
149.02333	0.5
167.03378	0.4
225.22281	0.4
253.21719	2.2
269.20993	0.5
271.22766	22.4
272.23209	0.7
279.23279	7.9
280.23660	3.4
285.24323	1.2
313.23734	1.0
383.28247	0.5
399.27368	3.8
417.28540	30.7
418.29050	1.7
438.02457	0.4
449.90204	0.4
454.62509	0.4
504.30817	4.1
505.31433	3.3
506.31290	0.5
525.86035	0.5
553.27228	0.9
561.32849	2.7
579.33917	4.1
707.39368	0.6
723.38196	0.7
741.39044	1.2
841.44513	0.7
851.41907	0.5
909.50232	0.7
925.45752	0.7
953.50543	0.6
968.32520	0.5
969.49432	1.3
971.50214	1.7
1027.53088	9.5
1028.53369	1.3
1053.54602	1.7
1071.55847	100.0
1072.56189	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	1054.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02938	0.9
78.98588	2.2
79.95726	5.0
80.35753	0.3
80.96510	28.4
81.03435	0.3
85.02932	1.1
87.00867	1.4
91.80440	0.2
94.98078	7.4
96.54088	0.3
96.95993	0.9
97.02950	0.8
101.02408	1.4
106.98069	1.5
116.21132	0.3
122.97579	2.4
125.02435	1.8
127.04014	0.6
134.97597	2.0
136.95345	0.3
136.99142	0.7
148.99129	2.9
152.98605	3.6
164.98607	5.9
167.00140	0.4
170.91061	0.3
182.99634	1.4
195.60631	0.3
206.99609	2.1
211.77542	0.3
225.00710	14.1
243.01665	1.5
272.02423	0.4
277.21729	1.5
279.23267	0.4
299.04358	2.6
406.80576	0.3
577.26801	100.0
578.27057	8.6
1054.51001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74992	0.8
55.47075	0.7
55.62513	0.7
59.01378	21.5
69.39126	7.0
72.99304	70.1
75.00870	22.6
80.06113	0.7
98.19889	1.3
105.01929	100.0
106.02267	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	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
54.74992	0.8
55.47075	0.7
55.62513	0.7
59.01378	21.5
69.39126	7.0
72.99304	70.1
75.00870	22.6
80.06113	0.7
98.19889	1.3
105.01929	100.0
106.02267	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	1045.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	1.7
73.02943	21.7
74.03288	0.4
78.95914	0.4
81.03448	1.3
83.01372	2.9
85.02943	7.2
87.00869	0.7
89.02439	62.4
90.02783	0.7
93.03447	0.7
94.60675	0.3
95.01379	1.4
97.02943	2.7
99.00877	90.0
100.01187	1.3
101.02440	16.0
109.02955	0.4
111.00891	0.6
111.04527	0.7
113.02443	17.4
114.62975	0.3
119.03498	2.1
125.02444	9.1
127.04004	1.0
131.03497	24.6
135.04549	0.5
143.03491	8.8
149.04546	100.0
150.04890	1.6
155.03497	6.3
161.04546	4.7
173.04475	1.7
178.36017	0.4
185.04532	1.3
191.05594	50.9
192.05971	1.1
203.05597	27.6
204.05901	0.9
225.32713	0.4
229.33533	0.3
233.06641	43.2
234.06990	1.2
251.07756	1.0
275.07697	4.1
285.78445	0.3
293.08844	1.2
335.09805	30.6
336.10190	1.2
353.10849	15.1
354.11310	0.6
386.12305	0.3
417.15637	0.4
511.96271	0.3
712.97083	0.4
1045.37854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03953	0.7
81.03461	4.1
81.03855	0.6
83.05015	2.5
84.80246	0.6
85.02941	9.8
87.00871	9.9
91.05476	0.7
93.03452	77.6
94.03815	1.2
95.05021	1.9
96.96006	1.9
99.04494	1.0
105.03440	6.4
106.04253	0.8
107.05020	0.8
107.32668	0.7
108.02164	1.4
109.02929	5.4
111.00901	1.4
111.04524	9.2
113.02496	0.9
115.04044	0.7
121.02940	2.8
123.04510	1.5
124.01638	2.9
125.02440	1.7
126.03215	0.7
127.04002	2.6
129.01904	1.3
132.02171	3.1
133.01881	0.9
133.02948	47.1
134.03741	10.4
135.04517	59.3
136.04846	0.9
137.02417	8.9
139.03983	2.3
149.02397	1.3
150.03198	3.0
151.04018	5.5
154.48454	0.8
155.03496	4.9
159.04552	0.8
160.01633	3.0
161.02417	7.7
162.03032	0.7
171.02908	0.8
173.04538	45.4
174.04839	1.2
177.01915	16.3
178.02724	9.8
179.03491	11.8
191.05594	72.1
192.05939	0.8
209.11852	4.3
211.13406	2.2
215.05559	5.8
220.60858	0.7
229.36795	0.9
283.13452	1.5
307.08136	1.6
308.08792	2.0
309.14935	1.7
327.16086	3.5
351.07175	8.2
352.07883	1.8
353.13684	1.4
773.36981	1.1
791.38922	4.4
799.36481	1.2
817.36566	12.8
818.37048	1.3
835.37775	7.3
836.37732	1.0
849.39252	5.7
867.40051	5.5
1009.26123	0.5
1009.42755	33.6
1010.43030	4.3
1041.45398	100.0
1042.45703	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	1043.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	1.8
73.02940	22.2
81.03439	1.5
83.01395	3.0
85.02940	6.5
87.00870	1.2
87.01433	0.2
89.02435	60.2
90.02753	0.5
93.03432	0.4
93.27873	0.2
95.01378	1.1
97.02940	3.0
98.19839	1.0
99.00873	86.6
100.01193	0.8
101.02434	12.6
107.01420	0.5
109.02961	0.3
111.00852	0.7
111.04510	0.4
113.02439	15.4
119.03453	1.9
125.02439	8.5
127.03965	0.7
131.03494	18.0
132.03770	0.3
134.19006	0.2
139.07359	0.2
143.03490	8.0
149.04539	100.0
150.04915	1.0
151.04007	0.3
155.03502	4.9
161.04544	4.1
173.04527	0.7
173.09784	0.3
185.04536	0.7
189.12891	0.4
191.05588	42.4
192.05916	1.0
203.05586	27.2
219.17406	0.3
223.45605	0.3
230.46748	0.3
233.06631	39.6
234.07028	0.7
235.17253	0.3
251.07684	1.0
254.43286	0.3
275.07764	2.5
293.08777	1.1
335.09799	27.1
336.10114	0.7
353.10831	12.8
354.11496	0.3
357.13541	0.3
377.85010	0.3
455.22424	0.3
543.24591	0.3
549.29352	0.4
563.14276	0.3
1006.21289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	4.6
85.02955	0.4
87.00849	0.7
93.03439	1.8
95.01373	1.3
96.96039	0.4
99.00842	0.4
107.01381	11.8
108.02208	0.5
109.02940	0.5
111.00852	0.8
113.02414	0.6
123.00871	1.1
123.04516	1.1
124.01651	4.6
125.02483	2.0
132.02194	0.4
133.02966	0.9
137.02516	0.5
145.02950	0.9
147.04410	0.6
149.02429	1.1
151.00357	37.4
152.01141	13.0
153.01921	1.5
161.02496	0.5
163.00386	1.9
163.03976	0.5
165.01891	0.5
169.01443	4.3
169.02843	0.7
171.04514	0.8
173.04584	0.4
174.03241	0.7
175.00348	1.3
175.03975	2.1
177.01787	0.4
178.99841	52.6
180.00208	0.9
183.04483	1.0
185.02301	0.5
187.03929	0.5
188.04686	0.4
190.99834	0.8
191.05582	1.9
192.00630	3.1
193.01389	6.5
197.02423	0.5
198.03186	1.2
199.03960	1.4
201.01851	0.7
203.03462	3.6
208.00056	0.5
210.03255	0.4
211.03949	1.0
213.01837	0.4
214.02701	0.9
215.03416	1.9
219.02934	1.3
225.01974	0.6
226.02634	3.4
227.03490	6.6
228.04149	2.1
229.01411	0.6
229.05135	0.5
235.77887	0.4
237.01866	2.3
239.03491	1.6
240.00555	0.5
240.04269	0.6
241.01349	1.3
242.02199	1.2
243.02928	0.9
244.03755	1.1
253.01392	2.9
253.04768	0.4
254.02197	5.2
255.02948	8.6
256.03534	1.7
265.04999	0.5
266.01981	0.6
267.02969	2.7
269.00876	1.8
269.04483	0.5
270.01563	1.1
271.02466	4.7
272.03131	0.6
277.05005	0.7
279.03101	0.6
279.99985	0.6
281.00873	2.5
281.04202	0.6
282.01773	1.0
283.02325	2.0
284.03064	1.5
285.04010	1.6
287.07239	0.6
291.06558	0.7
293.04636	0.8
294.01636	0.5
295.02396	1.9
295.05914	0.7
296.03180	0.7
297.03986	0.9
299.01950	1.1
300.02606	1.0
304.03812	0.4
305.04453	0.6
307.06134	0.4
309.04001	0.7
311.01978	1.1
315.06516	0.7
317.04575	1.1
319.02390	0.6
319.06030	0.8
321.04025	1.0
325.03409	0.6
329.04724	0.5
331.06119	2.3
332.03116	0.7
333.04031	0.9
333.07672	1.3
335.05588	0.6
339.05289	0.5
341.02911	0.7
343.06158	0.9
345.03928	1.2
346.04846	0.6
347.05466	0.7
348.06378	0.5
349.03448	0.8
349.07141	0.5
351.04968	0.6
359.05539	1.6
360.06387	0.5
361.03284	1.0
361.07181	2.3
362.03989	0.5
363.05081	1.1
365.03073	1.0
375.05164	0.7
376.05948	0.6
377.02573	0.5
377.06790	1.8
379.04810	0.8
387.05099	1.4
388.01825	0.7
388.06149	0.9
389.02762	4.3
389.06708	8.0
390.03534	0.9
391.04443	1.2
393.06198	1.9
399.03775	0.4
403.04462	3.5
404.05258	1.3
405.06247	7.1
406.03177	1.1
407.04004	9.8
415.04459	1.1
416.01541	0.9
417.02594	0.7
419.04019	0.6
429.02280	0.6
432.01126	0.8
433.01108	2.7
435.03662	0.7
439.47443	0.4
445.02017	0.6
447.03278	0.8
463.02917	0.5
467.07498	0.5
495.07242	0.6
511.06512	0.5
539.06445	0.5
553.09735	1.7
555.05560	0.8
559.20856	0.5
566.05176	0.6
567.05542	2.8
579.07733	0.8
583.05035	1.1
584.05804	0.8
584.97937	0.8
585.06641	10.4
586.06885	1.0
609.14526	0.4
731.12415	16.0
732.13000	1.3
773.15399	0.6
893.17657	2.0
902.94348	0.4
1039.23474	100.0
1040.23779	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	1037.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01755	0.1
72.99303	0.7
73.02942	9.4
81.03439	0.3
83.01380	2.5
83.05021	0.3
85.02947	6.6
87.00875	0.8
89.02436	13.6
90.02777	0.2
91.01882	0.3
93.03443	0.7
95.01376	1.7
97.02943	0.9
99.00875	35.9
100.01197	0.5
101.02436	9.0
107.01390	3.7
108.02126	1.1
109.02945	2.2
111.00865	0.3
111.04527	0.1
112.16206	0.1
113.02441	10.8
114.02728	0.1
114.82561	0.1
119.01376	0.4
119.03490	1.7
121.02950	3.3
123.00880	0.2
124.01604	0.3
125.02454	2.0
127.03967	0.2
129.01952	0.2
131.03497	4.5
135.00896	1.1
137.02449	0.2
139.03999	0.3
143.03491	1.9
148.01668	1.2
149.02489	0.7
149.04541	16.0
150.04912	0.3
151.00357	15.3
152.00714	0.4
153.01872	0.2
155.03479	1.1
157.06560	0.2
159.02957	0.7
159.04504	0.5
161.02390	0.3
161.04547	5.4
163.00359	4.1
163.03996	0.2
164.01170	0.6
165.01764	0.1
167.04990	0.2
169.01399	0.5
171.04465	0.3
173.04500	0.6
173.05984	0.3
174.03197	0.2
175.03989	0.4
178.99846	7.5
179.05580	0.5
180.00204	0.2
183.04478	0.7
185.06058	0.3
187.03940	0.8
189.01971	0.1
189.05513	0.2
190.99864	0.4
191.05592	15.1
192.00586	0.6
192.05780	0.2
193.01399	0.3
194.68858	0.1
198.03166	0.2
199.03896	0.9
200.04654	0.2
201.05580	0.8
203.03496	0.4
203.05589	5.2
209.15405	0.7
211.03952	1.9
212.04645	0.2
213.01854	0.2
214.02573	0.2
215.03519	0.5
216.04192	0.4
217.04900	0.2
225.80830	0.2
226.02690	1.2
227.03470	4.5
228.04085	0.6
229.04996	1.4
229.08644	0.6
230.02238	0.1
233.06633	5.6
234.06979	0.1
239.03546	0.5
243.02950	7.8
244.03619	0.4
245.04510	2.4
251.07672	0.2
254.02235	1.8
255.02956	26.7
256.03403	1.4
257.04440	0.3
266.02155	0.5
271.02444	48.7
272.02933	2.7
273.04025	1.4
273.07153	0.2
275.07617	0.3
283.02444	2.3
284.03204	1.7
285.03879	0.5
293.08823	1.1
299.01999	1.3
300.02713	81.6
301.03473	57.6
302.03845	2.1
313.03482	0.2
335.09790	2.2
341.02850	0.3
342.03030	0.2
353.10947	0.9
371.20566	0.5
413.21762	1.1
445.07816	0.3
446.07944	0.2
447.09259	100.0
448.09586	5.5
485.23962	0.8
503.24905	10.8
504.25174	0.9
545.25958	93.9
546.26312	7.0
807.04736	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	1031.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02936	0.6
79.63009	0.2
80.02657	0.7
81.03435	0.4
83.05020	1.0
84.02180	0.2
85.02947	0.8
87.00883	0.4
87.04515	0.6
89.02441	0.7
93.03433	0.4
95.05029	0.4
96.96011	1.9
97.02960	0.4
97.06580	2.2
98.03736	0.3
101.02432	0.9
109.06557	0.6
110.03732	0.4
111.04474	0.2
111.08150	7.1
112.08443	0.3
113.02451	0.7
119.03542	0.3
121.02862	0.3
121.06681	0.2
123.04569	0.3
123.08162	1.8
125.06081	0.9
125.09715	15.1
126.10072	0.4
127.07668	0.4
127.10321	0.3
127.11282	5.2
135.08168	1.4
137.08716	0.4
137.09712	5.3
139.11276	1.0
141.09209	1.3
149.09753	0.3
151.07648	0.3
151.11282	3.0
153.09187	3.1
155.10774	2.4
157.12337	0.4
163.07590	0.3
163.11244	0.4
164.08420	1.4
165.09196	2.6
167.10767	0.7
169.08629	0.4
169.12350	0.8
171.10248	8.2
172.10611	0.3
173.04504	0.5
177.09198	0.7
177.12761	0.4
183.10239	0.8
185.11794	0.3
187.09653	0.2
191.05554	1.1
191.10817	0.3
195.10262	2.6
196.28209	0.2
197.11778	0.8
199.09705	2.0
199.13361	0.6
201.11302	39.6
202.11653	1.5
203.14481	0.2
207.10210	0.4
209.11848	1.6
211.13341	1.1
213.11299	27.4
214.11691	1.0
225.11362	0.2
227.13000	0.9
237.14966	1.7
245.19037	1.8
250.12096	1.0
255.16025	0.6
263.20154	0.5
271.16980	0.6
279.19632	0.4
287.16428	0.2
289.18063	13.7
290.18277	1.1
307.19122	25.2
308.19516	1.9
325.20157	100.0
326.20508	7.1
327.20953	0.9
397.13394	2.0
415.14584	1.8
607.26599	0.3
703.81708	0.2
705.32953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.4
72.80862	0.3
73.02941	1.0
81.03458	0.4
83.01373	0.4
83.05020	1.2
87.00851	0.6
91.84484	0.3
93.03445	3.3
95.05009	0.4
107.01369	0.7
109.02960	0.5
111.04510	2.3
121.02934	0.4
129.05559	0.6
137.02452	0.7
137.09706	0.4
139.11278	12.8
140.11627	0.3
151.00348	3.5
155.03481	3.6
163.00403	0.6
163.11293	0.6
165.09128	0.5
173.04541	9.7
174.04840	0.6
177.01768	0.3
178.04756	0.3
178.99846	1.7
181.12323	9.6
183.10237	18.6
184.10529	0.6
189.21349	0.3
191.05583	0.6
199.13367	7.1
211.03992	0.4
225.11304	5.5
226.02638	0.5
227.03410	0.9
229.04881	0.5
243.02989	2.3
243.12341	41.6
244.03261	0.4
244.12703	1.5
254.02136	0.6
255.02942	8.6
256.03415	1.5
271.02454	18.4
272.02872	3.3
273.03110	0.9
300.02716	35.7
301.03299	15.9
302.03445	4.1
303.03949	0.8
417.17618	100.0
418.17923	5.3
609.14526	38.1
610.14874	13.1
611.15167	10.9
611.25391	0.5
612.15826	0.6
752.35803	0.3
864.62897	0.4
868.69324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5702
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	11.0
96.96024	5.7
96.96953	1.0
98.19753	1.6
98.95592	0.9
116.92888	1.5
130.18114	0.7
152.99579	15.5
171.00613	1.0
209.39389	0.7
227.03281	2.8
245.04321	2.9
259.20654	0.8
261.77371	0.9
265.14825	3.7
277.21692	89.6
278.22015	4.7
505.25687	100.0
506.26010	5.9
596.82678	0.7
712.62903	1.0
719.05414	0.8
886.96698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83362	0.6
71.01376	3.0
73.02940	1.0
78.98583	2.0
79.95733	4.0
80.96510	23.5
81.03449	0.4
83.01356	0.4
85.02929	1.3
87.00853	1.0
88.56525	0.2
89.02415	0.4
94.98081	6.7
96.95993	1.6
97.02914	0.6
99.00867	0.2
100.64869	0.2
101.02438	1.6
106.98079	1.2
113.02428	0.5
122.97565	2.4
125.02413	1.5
127.03998	0.7
134.97585	1.8
136.99089	0.4
148.99117	2.6
151.00343	0.3
152.98625	3.2
164.98610	5.0
167.00072	0.3
173.04485	0.7
175.92136	0.2
178.99930	0.5
182.99722	1.3
191.05571	1.3
199.21422	0.2
206.99701	1.5
209.11810	2.9
225.00706	12.9
225.11255	0.2
227.12839	0.2
243.01872	1.0
255.02937	0.8
265.01712	0.3
271.02475	1.5
279.14401	0.3
299.04361	1.8
300.02737	3.4
301.03470	1.8
317.05591	0.3
321.15421	0.3
397.13272	0.5
463.08771	4.7
464.09525	0.3
501.68787	0.3
527.17932	2.2
530.21851	0.2
559.20575	100.0
560.20941	7.1
560.27863	0.1
561.20886	0.3
609.82782	0.3
666.63574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.3
83.01386	0.4
83.91919	0.2
93.03454	2.1
101.02441	0.2
107.01364	1.5
108.02180	0.5
109.02946	0.5
111.04483	0.4
121.02951	0.8
126.39639	0.2
128.37614	0.2
135.00888	0.3
137.02461	0.3
148.01665	0.6
151.00359	6.0
151.03993	0.5
152.01096	0.3
155.03442	0.3
163.00381	1.1
163.03893	0.2
164.01074	0.2
169.01434	0.4
173.04532	4.6
174.03059	0.2
176.57590	0.2
178.99841	3.4
179.01457	0.2
183.04529	0.2
191.05608	0.7
197.11765	0.3
199.03937	0.2
203.03600	0.3
211.04082	0.4
215.03278	0.2
216.04375	0.2
226.02721	0.9
227.03426	1.2
229.05038	0.3
241.01482	0.2
241.10748	0.4
243.02942	5.0
244.03603	0.4
245.04503	0.5
254.02179	1.3
255.02948	13.6
256.03262	0.6
271.02438	29.9
272.02966	1.8
273.03879	0.6
283.02448	0.4
299.01932	0.8
300.02713	66.2
301.03439	18.8
302.03818	0.6
343.04462	0.5
415.16095	2.6
417.17694	0.6
447.09280	0.2
536.04834	0.2
609.14514	100.0
610.14819	8.6
874.82959	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	1019.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	47.6
72.99310	2.2
73.02943	21.6
79.01898	0.4
81.03441	1.8
83.01376	1.8
85.02943	6.4
87.00874	1.0
89.02435	57.9
90.02799	0.4
93.03488	0.4
95.01396	0.8
97.02935	2.2
99.00873	90.2
100.01209	0.8
101.02437	11.5
107.01435	0.4
111.00871	0.8
113.02443	14.2
119.03464	1.9
125.02441	8.3
127.04010	0.6
131.03490	16.7
137.49678	0.4
143.03490	7.0
149.04541	100.0
150.04922	1.1
155.03496	6.3
161.04544	6.0
185.04547	0.6
191.05586	43.2
192.05939	0.7
203.05597	27.5
204.05919	0.5
227.03513	1.0
229.04895	0.4
229.54926	0.4
232.79596	0.3
233.06635	35.9
234.06985	0.9
251.07733	1.1
255.02986	1.4
275.07684	1.7
284.03232	1.2
285.04007	1.4
293.08780	0.5
301.51135	0.4
335.09790	25.8
336.10352	0.9
345.45007	0.4
353.10837	13.3
431.09598	1.8
542.14673	0.3
543.24634	1.1
838.41205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.334
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	2.6
73.02937	0.7
81.03448	0.6
81.41221	0.2
83.01398	0.3
83.05022	1.2
85.02939	0.8
87.00877	0.5
88.69540	0.2
93.03446	28.6
94.03773	0.5
95.01363	0.3
96.95989	0.4
98.20654	0.2
107.01391	0.4
108.02174	0.2
109.02918	1.0
111.00861	1.3
111.04505	5.3
113.02446	0.4
115.04008	0.3
125.02446	0.2
127.03982	0.6
137.02425	5.2
139.11269	6.2
144.89807	0.2
151.00346	1.2
152.99510	0.2
153.01910	0.2
155.03482	5.5
157.61169	0.2
163.00336	0.5
163.11237	0.4
166.13388	0.2
173.04518	100.0
174.04825	1.8
181.12321	4.1
183.08594	0.4
183.10239	8.4
184.10628	0.2
185.06145	0.2
187.03998	0.4
191.05586	1.6
199.13380	3.0
211.04114	0.4
213.05519	0.4
225.11259	2.4
227.03452	8.7
228.04024	0.4
229.04979	1.5
239.03452	0.4
241.05090	0.2
243.12326	24.3
244.12630	0.9
255.02948	17.1
256.03534	1.4
257.04437	0.8
271.02466	0.3
284.03204	28.3
285.03952	11.3
286.04190	0.6
300.02557	0.2
327.05063	0.5
417.17578	95.1
418.17947	4.8
505.09766	0.3
593.15015	43.9
594.15363	3.7
595.15222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	2.7
72.99282	0.2
73.02943	0.8
78.98588	2.3
79.95259	0.2
79.95730	4.4
80.96510	25.8
81.03442	0.4
83.01371	0.2
83.05020	0.1
85.02947	1.2
87.00877	1.0
93.03461	0.2
94.98077	6.6
95.01370	0.2
96.95995	0.4
97.02958	0.8
99.00864	0.2
101.02436	1.4
106.98080	1.1
113.02474	0.3
114.96792	0.1
120.55513	0.1
122.96721	0.2
122.97585	2.1
125.02444	1.3
126.01887	0.1
127.04002	0.4
134.97568	2.0
135.04503	0.1
136.99161	0.6
146.97523	0.1
148.97935	0.2
148.99133	2.9
152.98615	3.0
152.99834	0.2
163.11264	0.2
164.98613	5.1
167.00166	0.2
173.04588	0.2
182.99634	1.1
188.98631	0.2
191.05606	0.8
206.99631	1.5
209.11810	2.1
225.00720	11.8
226.00891	0.3
227.12671	0.1
234.26443	0.1
243.01767	1.1
299.04428	1.9
317.05237	0.2
327.35513	0.1
416.58899	0.1
451.32910	0.2
527.18024	2.3
528.18311	0.2
547.25574	0.2
559.20575	100.0
560.20935	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	1003.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	21.6
71.63509	0.7
72.99291	1.2
73.02937	18.0
74.51037	0.5
81.03455	1.1
83.01387	6.9
85.02940	13.8
86.00090	0.9
87.00869	7.8
87.04498	1.2
89.02436	4.6
93.03433	1.4
95.01371	2.0
96.95985	2.1
97.02937	3.4
99.00877	3.1
99.04493	1.9
101.02434	17.7
103.03989	1.8
109.02961	0.6
111.00870	1.1
113.02448	9.7
115.04015	1.3
117.05553	3.6
119.03477	2.0
125.01577	0.8
125.02420	6.7
127.03961	1.8
129.01921	0.5
131.03438	1.3
135.04453	0.5
137.02348	0.7
143.03464	3.2
145.05031	0.9
149.82220	0.4
159.02959	1.2
161.04530	4.4
163.06023	0.6
171.10191	0.6
173.04567	1.0
191.05580	1.9
205.06963	0.6
209.11797	0.7
227.19928	0.5
233.38777	0.4
247.08073	0.5
287.22281	0.4
289.20135	0.5
389.25415	6.4
390.25336	0.5
535.31207	1.9
577.32257	0.6
663.25531	0.5
695.34692	0.5
697.35962	0.8
825.41278	1.1
843.41614	0.6
885.43079	2.3
886.43341	0.5
903.43756	0.5
941.46973	0.8
959.46954	8.0
960.46631	1.2
985.48743	2.4
1003.49585	100.0
1004.49969	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	993.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25384	0.4
69.25800	0.2
71.07373	2.2
79.05483	0.2
81.07043	0.2
86.09702	25.9
87.10023	0.1
95.08602	0.2
98.98456	2.2
104.10739	2.7
104.25089	0.1
105.07022	0.1
108.20904	0.1
124.99999	16.9
131.08511	0.1
143.01074	0.1
154.51480	0.1
166.02711	0.1
184.07330	100.0
185.07710	0.3
222.89919	0.1
229.61092	0.1
302.57867	0.1
309.70743	0.1
500.31268	1.8
518.32410	24.9
519.32532	0.4
611.33392	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	997.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	0.3
69.64394	0.7
70.06593	0.3
71.07373	2.0
76.39557	0.1
77.76154	0.1
81.07060	0.4
86.09708	27.1
91.05444	0.1
95.08593	0.3
98.97874	0.2
98.98473	2.5
104.10751	3.0
125.00009	18.4
133.10132	0.1
143.01027	0.2
147.89432	0.1
175.13959	0.1
184.07346	100.0
185.07672	0.4
220.23482	0.1
240.09848	0.1
258.11166	0.2
265.17065	0.2
337.27487	0.3
502.33060	2.4
520.34009	26.0
521.34259	0.4
585.66754	0.1
627.87427	0.1
775.04822	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	1002.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62856	0.2
78.95895	25.5
82.95424	0.2
87.36931	0.2
96.96946	2.1
97.26724	0.2
100.05019	0.2
102.25320	0.2
117.68323	0.2
143.12117	0.2
148.64737	0.2
150.98009	0.6
152.99571	37.7
153.99902	0.4
171.00616	10.8
227.03221	2.4
245.04274	50.5
246.04622	0.6
253.21686	21.2
254.22037	0.9
279.23331	0.5
481.25650	100.0
482.25928	5.5
507.26743	0.2
637.17920	0.2
655.76636	0.2
851.27795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	52.4
69.03448	1.8
69.07069	12.0
71.55161	1.6
73.02914	4.1
79.05499	33.3
81.07059	55.4
83.08629	6.4
85.02909	14.9
91.03966	10.6
91.05489	24.5
93.07048	42.9
93.07636	2.5
95.04992	1.7
95.08611	44.6
97.02902	8.0
97.06555	2.6
97.10164	3.9
99.04437	1.6
105.07053	20.0
107.08600	23.4
109.02853	1.3
109.10161	18.7
117.07030	8.1
119.08596	14.7
121.10151	20.4
123.11690	6.1
127.03928	3.5
129.06927	1.4
131.08557	9.4
133.10168	10.9
135.11678	15.0
137.13290	1.7
138.66309	1.5
143.08588	3.8
145.04979	5.3
145.10143	9.7
147.11714	9.0
149.13254	10.5
157.10121	2.8
159.11711	7.9
161.13274	7.6
163.05984	6.1
163.14877	3.6
165.12785	1.1
169.10100	1.4
171.11687	2.8
173.13295	6.6
175.14783	3.0
177.16293	1.8
185.13309	2.2
187.14836	3.2
230.93066	1.3
231.21149	2.2
241.19511	5.4
243.21123	5.6
259.20535	10.1
261.22156	20.3
263.23672	2.6
315.23077	1.4
317.24841	3.6
333.24271	8.5
335.25812	100.0
337.27408	12.4
521.42981	2.1
595.47290	21.2
613.48340	29.8
614.48016	1.5
848.96930	1.7
954.57373	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.8
69.03434	2.7
69.07068	0.5
69.20457	2.7
71.04964	0.4
71.08646	0.8
73.02925	3.1
79.05506	1.2
81.03403	1.3
81.07076	2.0
83.08663	0.6
85.02911	4.9
85.10178	0.4
91.03963	3.3
91.05475	0.6
93.07047	1.4
95.08619	2.2
97.02905	4.4
99.04457	0.7
101.02395	1.3
103.03998	0.3
105.07043	0.4
107.08627	0.6
109.02898	0.8
109.10184	0.9
115.03983	0.5
119.08628	0.4
121.10157	0.7
127.03953	1.4
133.10178	0.6
145.05026	0.4
161.73309	0.3
185.04268	1.0
203.05373	0.7
238.91409	0.3
243.08339	1.8
305.08334	0.3
313.27408	0.6
315.65140	0.3
335.25940	0.4
347.09512	2.1
363.09149	0.4
365.10739	1.2
405.13687	5.5
405.18668	0.5
497.30856	3.8
519.29285	5.6
659.35974	3.3
681.34631	6.1
775.52588	1.5
808.39764	0.3
882.77191	0.3
937.58618	100.0
938.58612	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	941.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.2
69.03435	3.1
69.07072	0.6
69.75595	1.7
71.01344	0.7
71.04999	1.2
73.02925	4.3
79.05495	2.6
81.03434	2.7
81.07073	3.0
83.05000	0.9
83.08655	0.5
85.02399	0.2
85.02905	5.9
85.06580	0.3
87.04489	0.7
91.03955	3.2
91.05500	1.8
93.07039	2.0
95.05002	0.9
95.08625	1.9
97.02898	6.5
99.04487	0.9
101.02354	1.5
103.03970	0.3
105.07045	1.2
107.08631	1.1
109.02903	0.7
109.10177	1.0
111.04426	0.7
115.03965	0.6
119.08596	1.1
121.10179	1.1
127.03917	1.6
131.08624	0.6
133.10164	0.8
135.11732	0.7
136.29871	0.3
145.04991	0.7
147.11768	0.7
149.09671	0.6
176.32285	0.3
185.04277	0.9
193.12344	0.5
203.05328	0.8
243.08430	2.1
267.15912	0.4
274.19254	0.3
283.15182	3.1
320.68338	0.3
335.25952	0.8
339.17944	0.7
347.09546	3.3
365.10541	1.7
405.13696	6.5
498.34177	0.3
501.23120	6.1
519.29327	7.7
663.28418	4.2
681.34552	9.0
779.45880	1.9
840.82941	0.4
941.50806	100.0
942.50610	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	936.553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.3
67.05506	50.5
69.03436	3.7
69.06723	1.0
69.07076	12.0
69.53665	3.5
71.01369	0.9
71.04986	3.4
71.08617	2.7
73.02927	2.1
79.05494	39.7
81.03419	72.0
81.07056	53.3
81.07757	0.9
83.02447	0.6
83.04985	5.9
83.08616	22.1
85.02905	7.3
85.06541	2.3
85.10169	0.8
86.54746	0.6
87.04445	0.6
91.03963	6.0
91.05482	29.5
93.03409	0.6
93.06583	0.7
93.07044	40.8
95.04969	26.9
95.08607	41.6
95.39932	0.6
97.02894	6.4
97.06533	4.3
97.10168	7.6
98.20783	0.9
98.98443	1.1
99.08103	1.8
103.05473	1.1
105.07033	25.2
107.04967	5.4
107.07870	1.2
107.08598	24.6
109.02884	0.9
109.06511	4.2
109.10158	19.4
111.04458	2.6
111.08082	6.5
113.09608	0.6
115.05478	1.4
117.07022	8.5
119.04942	1.2
119.08583	23.5
121.06499	4.0
121.10143	22.3
123.04447	3.2
123.08051	3.5
123.11709	7.5
125.09653	4.9
127.03921	2.5
128.06244	0.9
129.07007	7.9
131.04927	0.9
131.08572	15.8
133.06509	3.8
133.10129	14.2
135.08067	2.0
135.11693	14.3
137.05965	0.7
137.09630	2.5
137.13269	1.9
142.07832	2.7
143.08582	2.2
145.04993	3.5
145.06497	1.1
145.10109	10.0
147.04381	0.8
147.08090	3.3
147.11684	14.6
147.12798	1.1
149.09610	5.6
149.13248	7.9
151.11189	0.7
153.09158	0.9
153.12746	0.5
155.01077	0.8
155.08592	1.1
157.06458	0.8
157.10118	10.1
159.08040	0.9
159.11687	8.3
161.05989	0.7
161.09651	1.3
161.13261	5.4
163.06017	5.2
163.11182	3.4
163.14787	3.9
165.12770	2.1
169.10097	1.4
171.11694	2.9
173.05928	0.7
173.11894	1.1
173.13234	5.9
175.11191	8.3
175.14859	2.0
177.12782	1.2
177.16426	1.4
179.14345	0.8
183.11717	1.4
185.13254	1.5
187.11247	0.9
187.14856	4.3
189.11214	3.5
189.12712	0.7
189.16460	1.0
193.12241	19.7
197.13251	0.9
199.14897	0.9
201.16467	1.5
205.12256	1.3
211.13231	1.5
215.17810	1.0
219.17471	0.6
223.13048	0.6
227.12749	6.6
233.15419	0.9
233.22762	0.8
235.13216	2.6
243.15834	0.9
243.21103	5.5
247.16991	0.7
249.14854	3.1
259.13263	2.2
259.20599	1.3
261.22144	21.9
265.14355	0.7
267.15912	88.0
273.14978	1.2
276.84583	0.5
279.23203	1.0
282.27927	13.5
285.22153	1.0
289.14264	0.6
293.20813	0.8
299.23767	1.7
301.14374	2.3
301.25278	6.3
303.23358	0.6
309.17035	4.4
309.20187	1.0
311.25830	1.7
313.27341	13.8
313.30667	1.0
317.24765	3.4
319.15448	1.1
333.16937	1.1
333.24091	0.9
335.25797	100.0
336.26129	1.9
337.27121	0.5
359.25525	1.0
375.18173	0.7
383.79974	0.6
393.19092	0.7
393.23767	1.1
403.24734	1.0
407.24432	1.0
417.26294	1.0
417.31503	1.4
421.25931	3.3
435.27753	3.9
435.32443	4.4
436.28360	4.8
449.29126	1.3
453.33713	8.9
454.29086	5.0
459.31680	0.7
461.29129	0.9
471.34756	4.6
475.30338	1.1
501.34933	0.6
509.36255	1.9
527.37341	78.3
528.37671	1.4
545.38373	91.6
546.38824	1.6
559.39777	2.5
569.38367	12.3
577.40564	1.2
587.39417	2.5
593.38489	1.1
611.39459	2.9
617.38330	0.9
623.39386	4.1
635.39508	5.4
653.40393	3.5
671.41498	5.0
689.42670	1.4
837.67419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.5
66.78290	0.7
67.05508	31.2
69.03419	1.8
69.07072	9.8
70.81891	2.0
71.04985	2.1
71.08632	18.2
73.02923	4.0
79.05496	17.6
79.32069	0.7
81.03418	1.4
81.07060	36.4
83.00816	0.6
83.04992	0.8
83.08620	9.1
85.02441	1.0
85.02909	17.3
85.06570	0.9
85.10186	11.0
89.06046	0.9
91.03960	10.5
91.05476	10.7
93.07046	25.5
95.04951	1.6
95.08610	37.1
97.02892	7.8
97.06536	1.8
97.10156	4.5
99.04456	0.9
99.08092	0.9
103.07641	1.5
104.06171	0.8
105.07043	6.7
106.48100	0.6
107.08597	13.0
109.06525	0.9
109.10163	14.5
111.11745	1.3
111.72126	0.7
115.03930	1.4
117.07021	3.1
119.08585	6.6
121.10162	13.1
121.11026	1.0
123.11707	6.3
127.03923	4.4
131.08562	7.1
133.10118	5.4
135.11694	9.9
137.13251	2.3
145.04947	4.2
145.10126	5.8
147.11697	4.7
149.13271	5.9
151.11194	0.8
151.14803	0.9
153.12715	0.7
159.11736	4.8
161.13301	4.2
163.05998	7.0
163.14827	5.0
171.02402	0.7
173.13286	4.0
175.14879	1.6
177.16373	1.9
177.83682	0.7
187.14827	3.0
239.23682	1.8
243.21115	9.3
257.24896	1.8
261.22144	38.2
279.23108	1.1
313.27371	100.0
314.27768	1.6
317.24847	5.5
329.52466	0.7
335.25815	87.4
336.26065	0.9
340.18079	0.7
344.14236	0.7
363.47748	0.7
367.36319	0.8
499.45239	1.2
500.47113	0.8
573.48785	43.9
574.49042	1.4
591.49847	12.9
933.56409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.4
67.05524	1.5
69.03435	2.8
69.07082	0.6
69.37669	0.5
69.38069	2.9
70.06583	0.5
71.01368	0.5
71.05001	1.5
73.02921	2.6
79.05508	2.0
81.03423	4.3
81.07068	2.3
83.04985	0.6
83.08644	1.3
85.02908	5.9
85.06561	0.6
86.09718	0.5
87.04496	0.9
91.03944	2.5
91.05479	2.4
93.07052	1.9
95.04993	1.3
95.08649	1.1
97.02888	4.7
97.06551	1.0
99.04480	0.8
101.02408	1.8
103.03905	0.4
105.07069	1.8
107.04982	0.6
107.08634	1.3
109.02919	0.8
109.06566	0.8
111.04451	0.5
115.04000	0.5
119.08620	1.6
121.06544	0.5
121.10205	1.8
123.08136	0.4
127.03952	1.5
129.07030	1.2
131.08604	1.2
133.10176	1.1
139.16769	0.4
145.04948	0.5
147.11716	1.2
149.09601	2.0
153.01930	0.4
157.10188	1.3
163.03940	0.4
165.12758	0.5
175.11237	1.1
185.04262	0.5
193.12328	1.8
197.15433	0.9
203.05354	0.9
212.33421	0.5
243.08600	1.4
267.16125	1.1
269.12305	0.4
283.15173	4.6
283.17548	0.4
339.18045	1.3
347.09579	2.1
365.10889	1.4
405.13751	5.2
417.60907	0.4
459.14310	0.5
469.20764	0.6
477.15662	0.6
501.23135	17.5
599.33905	0.6
663.28314	18.3
666.83289	0.4
748.57843	0.5
761.39020	3.3
863.42609	0.4
923.44598	100.0
924.45465	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	918.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03862	0.6
67.05416	12.4
67.05819	1.5
69.03339	3.0
69.06979	3.6
69.07375	0.9
70.06510	0.6
71.04906	2.9
71.53707	0.7
73.02851	1.1
79.05395	15.5
81.03320	36.8
81.06960	13.7
81.07468	1.1
82.30013	0.5
83.04882	3.6
83.08521	10.8
83.09055	0.9
85.02795	2.7
85.06462	1.2
91.03868	1.2
91.05376	11.5
93.06942	12.1
93.07565	0.9
95.04966	17.9
95.05510	0.9
95.08497	6.9
97.02895	2.5
97.06426	3.2
97.10063	11.1
97.10745	0.8
104.06129	0.5
105.03311	0.6
105.07040	9.9
107.04958	10.3
107.08597	10.5
109.06516	7.1
109.10133	4.8
111.04353	1.4
111.08069	4.3
113.05907	0.8
117.07010	3.7
119.04852	0.8
119.08587	9.0
121.06507	8.9
121.10155	5.7
123.04312	1.6
123.05117	0.4
123.08109	2.7
125.05910	0.8
125.09636	9.8
127.03809	0.5
128.06100	0.7
129.07005	6.7
131.04929	2.3
131.08556	7.8
133.06511	4.0
133.10146	3.2
135.08063	4.0
135.11583	1.9
137.05847	0.7
137.09567	0.9
139.11060	0.5
141.06885	1.3
142.07686	1.4
143.08557	2.5
143.10602	0.5
145.04759	0.5
145.06464	5.1
145.10146	4.3
147.04286	1.6
147.08038	4.2
147.11678	5.4
149.05869	0.9
149.09616	4.9
153.09160	2.7
153.12697	0.9
155.08482	1.6
157.06369	2.0
157.10139	6.0
159.07915	1.8
159.11586	1.4
161.05856	1.4
161.09492	1.6
163.05939	0.9
163.07362	0.6
163.11171	3.5
165.12659	1.2
167.08423	0.8
167.10550	1.1
169.10008	1.4
171.07901	1.5
171.11574	1.9
173.09494	1.7
173.13182	1.2
175.07509	0.7
175.11188	6.3
177.12718	1.0
181.10017	1.4
183.11604	0.6
185.09494	1.2
185.13107	1.7
187.11032	1.3
187.14738	0.7
189.11098	4.8
189.12674	1.7
191.10558	0.8
191.14302	1.2
193.10481	0.8
193.12244	15.4
195.07837	0.5
195.11633	1.0
197.09621	0.7
197.13187	1.2
199.11116	1.6
199.13145	0.6
201.12592	1.0
203.14236	0.7
205.12160	1.6
207.13609	1.0
209.09528	0.6
209.13245	0.7
211.11188	0.8
211.13182	1.4
213.12643	1.6
215.14258	1.6
217.12125	1.4
219.13782	2.2
223.11157	0.9
223.13231	1.3
225.12843	0.5
227.12683	1.7
229.12083	0.7
231.13751	1.4
233.15334	3.6
235.13181	1.4
237.12619	1.6
239.14197	0.8
243.13605	0.6
245.15286	0.8
249.14775	2.0
253.96866	0.6
255.13683	2.1
257.15140	0.8
259.13193	1.7
267.15912	42.9
269.15344	0.7
271.16882	0.6
273.14746	6.8
273.17322	0.8
275.16428	1.0
283.16873	0.6
287.16254	1.3
293.17648	1.0
309.16983	0.9
321.22064	0.8
331.20575	0.8
339.23209	3.0
349.21552	4.7
357.24188	2.1
367.18445	0.7
367.22714	12.4
385.23727	21.7
403.24814	4.2
441.26370	9.5
459.27414	96.9
460.27560	1.1
466.90326	0.5
477.28485	100.0
478.28522	1.4
489.28561	0.6
491.30060	12.9
501.28467	6.0
509.31198	6.3
513.28638	1.9
519.29810	1.1
531.29578	2.1
533.30908	0.6
541.33582	1.5
543.29529	1.9
555.29657	0.7
567.29541	4.7
573.30530	0.8
585.30322	2.5
603.31860	1.3
621.33148	0.6
722.23242	0.5
790.46106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	40.1
69.03441	4.0
69.07068	11.4
69.33572	3.3
69.34000	3.8
71.01344	1.2
71.04993	2.6
71.08634	21.1
73.02925	2.6
79.05495	11.8
81.03440	4.6
81.07059	24.6
83.04973	5.3
83.08627	13.9
85.02910	18.6
85.06568	1.5
85.10194	10.6
86.04605	0.8
86.09685	1.1
87.04467	5.5
88.16029	0.8
89.06026	1.1
91.03955	5.6
91.05485	5.9
93.07044	7.1
95.04981	1.1
95.08612	18.8
97.02908	8.3
97.06548	3.3
97.10171	18.4
99.04415	1.1
103.03937	1.1
103.07565	1.5
105.07025	2.4
107.04973	2.0
107.08591	8.5
109.10159	35.0
111.04447	2.2
111.08083	1.9
115.03912	1.2
117.07021	2.1
119.08592	3.5
121.10121	2.6
123.11724	2.8
125.09636	15.5
127.03968	2.4
129.05460	0.8
131.08585	1.7
135.11708	3.0
136.61081	1.0
137.09665	1.7
137.13217	1.5
143.10683	2.3
145.04971	2.5
145.10115	1.8
151.99956	1.0
153.12727	2.4
155.08540	0.9
155.10652	2.6
160.11232	1.6
163.06026	2.0
163.11189	2.5
173.09653	1.6
173.11757	8.3
181.12173	1.3
184.07314	1.8
191.10626	1.6
199.13298	11.2
201.04308	0.9
209.11774	2.7
223.13292	1.5
227.12784	11.3
229.14355	46.8
239.23788	4.0
257.13754	1.0
257.24680	1.9
258.08878	1.8
267.15729	1.5
283.15393	4.2
297.17093	1.3
299.14828	1.1
301.16483	33.2
313.27371	100.0
314.27737	1.1
319.17499	1.3
331.28357	1.1
335.25729	2.3
341.26807	1.8
437.36273	4.8
455.37372	14.9
467.37350	30.1
489.35574	1.3
505.38556	1.1
521.38422	2.8
539.39386	19.3
557.40173	7.2
581.97656	1.0
701.44208	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91525	0.7
65.03944	0.9
67.05508	11.6
69.03431	2.1
69.07077	7.2
71.04980	1.7
71.08640	20.7
71.54822	0.8
73.02908	1.3
79.05493	8.1
81.03422	58.7
81.07061	16.9
83.04979	4.5
83.08147	1.4
83.08623	19.5
85.02924	5.7
85.09723	1.2
85.10187	15.8
89.06021	1.2
91.03986	3.6
91.05493	11.9
93.07050	5.7
95.04984	16.6
95.08614	15.7
97.02900	4.8
97.06496	1.3
97.10199	4.8
99.11726	1.4
101.05999	0.9
103.07604	1.1
105.07043	7.7
106.57071	0.7
107.04951	4.6
107.08636	3.7
109.06531	2.9
109.10162	8.6
110.67699	0.7
111.04459	3.6
111.08085	5.1
111.11732	1.7
117.07014	0.8
119.08578	7.8
121.06519	1.7
121.10147	4.8
123.04431	1.7
123.08070	1.5
123.11705	2.9
127.03921	2.1
129.05522	1.1
129.07007	5.5
131.08575	6.3
133.06500	2.0
133.10153	3.7
135.11713	1.1
137.13235	1.7
142.07787	1.7
145.10121	1.8
147.04382	0.7
147.08086	3.0
147.11694	5.6
149.06020	0.8
149.09628	4.8
151.14815	0.9
153.09160	0.7
157.10136	7.8
158.59367	0.7
163.06023	2.6
165.12823	1.8
165.16373	0.9
167.24651	0.7
175.11188	6.8
193.12262	25.3
205.12195	0.9
209.33243	0.7
211.13226	1.2
221.22739	1.0
235.13249	1.9
239.23683	2.1
249.14853	1.7
257.24762	2.3
259.13287	1.3
267.15936	99.7
301.14392	2.4
309.16998	2.7
313.27377	100.0
399.27481	0.8
505.38931	78.4
506.39291	2.0
523.39905	3.0
547.40149	5.7
565.41095	1.3
589.40997	0.8
601.40778	2.2
613.40576	2.0
631.41815	2.5
690.62018	0.7
889.12939	0.8
941.54333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.45
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.4
69.75180	0.8
69.75590	0.5
71.95266	0.8
81.03420	0.3
81.07047	0.5
84.96037	10.5
91.05444	0.3
93.07060	0.3
95.08596	0.2
98.97587	10.3
102.97078	0.9
107.08607	0.3
110.97567	2.2
112.99154	0.9
116.98627	3.9
124.99119	4.3
124.99980	0.3
125.98685	0.4
126.97046	0.6
128.98613	2.7
131.00180	1.6
134.99673	0.7
136.99109	0.4
139.00706	0.9
140.00230	0.7
140.69373	0.3
140.98599	2.4
143.00172	9.4
144.98082	5.0
146.99637	1.4
149.01245	2.4
152.00179	0.3
154.93231	0.6
155.00165	1.9
157.01727	0.6
158.01180	0.2
158.99660	1.8
161.01236	6.1
162.99141	2.8
164.98613	0.7
166.01740	0.9
167.02284	0.7
172.02777	0.3
172.94313	0.7
173.01228	1.8
175.02756	0.5
177.00655	0.6
179.02327	0.4
180.94783	1.9
182.01308	0.3
182.99651	5.5
183.01245	0.3
184.02859	0.8
185.01259	0.5
186.00780	0.4
187.02695	0.3
189.00790	0.3
190.95348	0.2
191.02211	0.4
198.95827	2.4
201.00720	6.5
203.02281	0.5
205.94234	0.2
206.01299	0.3
210.95955	0.3
212.97491	0.3
216.96928	0.4
217.03975	0.8
219.01825	1.2
221.97447	0.3
222.95798	1.1
224.02356	0.9
224.97458	1.3
228.97003	1.0
239.09637	0.3
240.96910	3.1
242.98454	1.5
246.95909	2.8
246.98116	0.6
254.98589	0.7
258.98016	0.9
264.96902	9.3
265.11349	0.3
282.97971	16.7
284.99521	0.3
287.98447	1.2
296.99622	1.0
300.95605	0.4
300.99008	7.9
301.20309	0.3
305.99521	2.7
317.17883	22.2
318.18414	0.4
319.19513	0.4
323.72720	0.2
324.00632	0.8
333.17566	0.2
335.18918	5.8
339.00476	0.3
357.01672	2.7
358.20563	2.5
375.02786	2.6
391.21725	0.6
398.04239	0.5
433.26038	0.3
535.34778	0.2
557.20935	0.6
599.21448	0.3
601.24860	0.3
617.23035	100.0
618.23602	1.7
741.41144	0.3
911.49530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.3
65.04755	0.3
67.05506	3.0
69.03432	4.0
69.07085	0.7
70.60781	0.8
70.61124	0.3
71.01349	0.5
71.04995	0.8
73.02921	3.8
76.47765	0.3
77.45709	0.4
79.05495	2.3
81.03424	1.8
81.07062	3.0
83.05001	1.3
85.02911	7.2
85.03389	0.6
91.03966	3.6
91.05508	1.4
92.97812	0.3
93.07049	2.6
95.05006	0.4
95.08599	2.0
97.02898	6.1
99.04476	0.8
101.02377	2.0
105.07071	1.0
107.08607	1.4
109.02897	1.0
109.10148	0.6
111.04457	0.9
111.06045	0.3
115.03949	0.6
117.07012	0.7
119.08607	0.7
121.10188	1.4
126.05487	0.3
127.03901	1.7
131.08635	0.6
133.10144	0.3
135.11739	0.9
145.10194	0.8
147.11757	0.4
163.11217	0.8
175.14833	0.3
185.04289	0.8
203.05368	0.8
243.08525	1.0
249.10994	0.4
329.04059	0.4
335.25931	0.8
347.09671	1.3
365.10547	0.8
385.43723	0.4
405.13675	5.2
467.18951	4.1
519.29376	5.5
629.23993	2.7
681.34607	6.1
744.49158	0.3
745.41681	0.9
748.57257	0.4
907.46637	100.0
908.47083	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	909.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.8
69.03427	3.9
69.07072	0.8
71.01356	0.5
71.05006	0.4
71.13525	0.2
73.02918	4.0
79.05496	2.3
81.03413	2.3
81.07053	2.9
83.04998	0.8
83.08610	0.7
85.02905	7.4
87.04487	0.4
91.03958	3.7
91.05491	1.6
93.07036	2.1
95.04980	0.8
95.08608	2.2
97.02893	5.9
97.03528	0.4
97.10155	0.2
98.20763	0.6
99.04476	1.1
99.08137	0.2
103.03991	0.5
105.07043	0.8
105.72546	0.2
107.08565	1.2
109.02897	0.9
109.10190	1.0
111.04420	0.4
112.59988	0.2
115.03985	0.6
117.07087	0.3
119.08588	0.9
121.10178	1.0
123.11744	0.3
127.03925	2.2
131.08594	0.9
133.10172	0.8
135.11722	0.7
145.04984	0.4
145.10136	0.5
147.11736	0.5
149.13264	0.3
157.10248	0.3
159.11783	0.3
161.13344	0.4
175.11194	0.3
180.80522	0.3
185.04239	0.8
193.12325	0.4
203.05330	0.8
205.15936	0.3
231.52325	0.2
243.08389	2.0
247.93484	0.2
251.12584	0.9
269.12439	0.3
307.15182	0.5
311.26279	0.2
335.25970	0.7
347.09558	2.2
363.09106	0.6
365.10654	1.0
405.13663	5.6
469.20486	4.1
519.29279	5.4
631.25726	3.0
681.34528	6.3
687.34155	0.3
709.73096	0.3
747.43323	1.5
909.48145	100.0
910.48572	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	907.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.9
69.03432	3.4
69.07069	0.8
69.79581	1.0
69.79996	1.3
71.01360	0.5
71.04990	0.4
73.02923	3.8
76.99347	0.3
79.05486	2.4
81.03416	1.7
81.07047	2.7
83.04990	1.4
83.08646	0.8
85.02911	7.0
87.04480	0.7
91.03957	3.6
91.05484	1.6
93.07043	2.5
95.04981	0.5
95.08620	2.3
97.02892	6.3
98.20891	0.5
99.04476	0.9
101.02408	1.8
103.14809	0.3
105.07044	0.5
107.08590	1.8
109.02910	1.1
109.06558	0.5
109.10167	1.6
111.04456	0.9
117.07030	0.7
119.08594	0.5
121.10182	1.6
123.08041	0.5
127.03934	2.1
131.08621	0.4
133.10123	0.6
135.11711	0.7
145.05028	0.7
145.10115	0.7
147.11638	0.4
163.11188	0.8
184.07487	0.4
184.71548	0.3
185.04245	1.0
198.26024	0.4
243.08434	1.7
249.11081	0.6
270.44565	0.4
278.50555	0.4
311.14841	0.4
335.26056	0.8
347.09540	2.2
365.10666	1.0
405.13654	4.9
467.18790	3.8
519.29340	5.5
532.66736	0.4
588.18756	0.4
624.58539	0.4
628.73883	0.4
629.24127	3.3
681.34515	7.0
709.65479	0.4
745.41467	1.2
762.86047	0.4
907.46606	100.0
908.47400	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	904.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.4
67.05508	30.7
69.03424	4.2
69.07066	8.1
69.86004	1.8
71.04996	3.2
73.02919	3.4
77.03896	0.6
79.05497	27.2
81.03421	37.8
81.07059	34.9
83.04988	9.6
83.08622	14.3
83.25063	0.4
85.02908	22.7
85.06549	2.0
87.04466	0.6
91.03399	0.6
91.03960	6.5
91.05484	22.9
93.07046	26.0
95.04970	15.2
95.08612	21.4
96.04443	0.5
97.02895	6.1
97.06543	3.4
97.10191	3.0
98.20799	0.4
99.04421	0.9
99.08080	1.1
103.05458	0.4
105.04498	0.7
105.07033	17.0
107.04964	3.6
107.08602	13.7
109.02850	0.5
109.06519	3.0
109.10159	9.7
111.04462	1.7
111.07360	0.6
111.08083	7.2
113.06022	2.0
115.03938	0.6
115.05433	1.0
117.07024	3.1
119.04945	0.4
119.08583	15.6
121.06492	1.2
121.10147	13.2
123.08086	2.4
123.11706	3.5
124.88722	0.4
125.09611	1.3
127.03896	2.1
129.07022	5.9
131.08582	10.7
133.06453	1.3
133.10136	10.3
135.08025	0.6
135.11699	6.6
137.09601	1.1
137.13268	0.9
139.11185	0.4
142.07767	1.9
143.08577	0.7
144.26305	0.4
145.04962	2.5
145.10133	4.7
147.08052	1.7
147.11685	10.8
149.09644	3.7
149.13277	3.0
151.11172	0.7
153.12715	0.5
155.08577	0.5
157.10132	8.8
159.11703	2.6
161.13252	1.9
163.06038	3.1
163.11165	1.0
163.14857	1.8
165.12743	2.3
169.10132	0.6
171.11636	0.7
173.13261	1.6
175.11192	9.4
175.14806	0.8
177.12732	0.6
179.14363	0.4
181.12273	0.4
185.13261	0.4
187.14853	1.2
189.11163	0.8
193.12248	29.6
194.12460	0.4
201.16493	0.5
211.13297	49.5
227.12755	1.5
229.14378	0.5
243.21077	3.0
259.20511	0.4
261.22141	7.7
267.15915	12.3
269.17563	0.7
279.23593	0.5
283.15494	0.9
285.16974	64.4
299.23828	0.8
301.25400	0.9
317.24890	1.8
335.25803	57.4
336.26382	0.8
398.63870	0.4
417.31308	0.9
435.32730	2.4
453.33752	2.2
471.34915	1.1
501.36154	0.4
509.36044	0.8
527.37384	13.1
545.38391	100.0
546.38910	1.9
563.39319	1.1
848.30725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88080	0.3
65.03935	1.8
66.04711	0.2
67.05505	34.1
69.03429	3.3
69.07066	7.7
69.86658	0.2
71.04991	2.7
71.08624	0.3
71.54717	0.2
73.02917	2.5
77.03934	0.6
79.05492	28.5
81.03417	33.4
81.07055	35.4
83.04982	7.5
83.08619	14.4
85.02905	20.3
85.03436	0.6
85.06543	2.0
87.04458	0.4
90.85932	0.3
91.03958	5.2
91.04576	0.4
91.05479	22.1
93.07043	27.8
95.04968	14.2
95.08606	24.1
95.09232	0.5
97.02889	5.9
97.06529	3.3
97.10174	3.7
99.04453	0.6
99.08092	1.0
103.05457	0.4
105.04539	1.2
105.07030	16.3
107.04960	3.1
107.08595	13.9
109.02893	0.4
109.06508	3.2
109.10155	9.4
111.04421	1.5
111.08084	5.5
111.11724	0.3
113.05991	1.2
113.09596	0.3
115.03918	0.3
115.05449	1.0
116.06226	0.3
117.07022	3.7
119.04961	0.3
119.08580	15.1
121.06505	1.0
121.10145	14.3
123.08064	1.8
123.11710	3.1
125.06065	0.2
125.09616	1.3
127.03883	1.6
127.07566	0.3
128.06192	0.5
129.06999	5.9
131.08569	10.9
133.06490	1.7
133.10130	9.4
135.08089	0.5
135.11685	6.6
137.09627	1.3
137.13261	0.9
139.11160	0.3
141.06989	0.5
142.07811	1.2
143.08546	0.6
145.04967	2.3
145.06105	0.3
145.06502	0.2
145.10120	4.8
147.08067	1.8
147.11691	10.1
149.09642	3.3
149.13263	3.3
151.07503	0.3
151.11189	0.7
153.12781	0.3
155.08617	0.3
157.08797	0.5
157.10121	7.9
159.11699	2.8
161.13258	2.0
163.06027	2.7
163.11147	1.0
163.14815	1.6
165.12775	1.8
169.10194	0.3
171.11658	0.7
173.13249	2.3
175.11182	7.5
175.14824	0.8
177.12708	0.5
177.16400	0.4
181.12206	0.3
183.11626	0.4
184.07428	0.3
185.13255	0.6
187.14801	1.4
189.11200	0.4
193.12242	22.9
197.13263	0.4
199.14859	0.5
201.16367	0.4
204.14917	0.2
211.13286	31.5
215.17921	0.3
227.12756	0.9
229.14285	0.5
243.21083	2.5
249.14857	0.3
251.67178	0.2
259.20624	0.3
261.22150	8.0
267.15906	9.9
269.17316	0.4
273.22253	0.3
279.23206	0.5
283.15216	0.4
285.16959	39.3
286.17285	0.5
299.23706	0.4
301.25259	0.7
312.31128	0.2
317.24857	2.0
329.24832	0.3
329.96606	0.2
333.24176	0.4
335.25793	59.2
336.26126	0.6
405.30414	0.3
417.31473	0.4
435.32425	1.5
453.33682	1.8
453.99921	0.3
471.34644	0.8
473.32715	0.4
491.18997	0.3
509.36398	0.5
527.37329	13.1
528.37793	0.3
545.38361	100.0
546.38745	1.8
563.39111	0.8
689.42236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29781	0.7
65.03940	1.4
67.05508	28.4
69.03434	1.5
69.07072	8.7
70.32444	0.7
71.04991	2.7
71.53838	1.0
73.02919	1.6
79.05499	25.3
79.05965	1.3
81.03439	2.2
81.07061	29.7
83.04994	8.4
83.08620	7.7
85.02914	3.5
85.06532	1.4
86.99744	0.8
91.03972	2.2
91.05488	10.3
93.07050	33.0
95.04998	5.2
95.08615	40.1
97.02905	4.8
97.06525	3.5
97.10206	1.8
99.04450	2.4
99.08075	1.1
105.07032	7.1
107.04977	4.1
107.08598	24.3
109.06526	2.1
109.10163	9.3
111.04438	4.7
117.07018	6.5
117.66713	0.7
117.67567	0.7
119.08601	8.9
121.06526	2.8
121.10147	15.2
123.11707	2.0
125.05999	1.3
127.03993	1.0
131.08594	4.2
133.10172	5.8
135.08105	1.5
135.11699	34.2
135.12733	1.8
143.08647	1.4
145.05029	0.9
145.10135	19.4
147.11725	2.8
149.13271	3.4
154.64536	0.8
157.10274	0.8
159.11761	2.1
161.13286	1.2
163.06032	1.1
163.11188	37.4
163.14838	1.6
173.13292	3.0
181.12238	7.1
187.14868	1.0
201.16354	0.8
211.09642	0.8
227.12785	42.6
236.46751	0.9
243.21257	1.9
261.22165	7.1
271.72272	0.9
283.15414	53.9
284.15698	0.8
310.52188	0.8
317.24637	1.7
331.17328	1.0
335.25821	96.2
336.26276	1.8
381.30304	1.0
543.36853	100.0
544.37854	1.6
799.54529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.9
67.05508	34.3
69.03432	2.9
69.07073	10.0
69.24921	5.9
71.01366	1.1
71.05005	3.8
71.08618	1.5
73.02928	4.3
79.05498	31.4
81.03426	11.8
81.03877	1.2
81.07059	36.9
83.01345	6.2
83.04993	9.2
83.08157	0.8
83.08626	12.5
85.02437	1.1
85.02913	17.6
85.06515	1.2
91.03967	10.2
91.05490	17.1
93.07049	35.6
95.04967	6.7
95.08616	27.5
96.04490	1.0
97.02897	9.7
97.06523	4.8
97.10169	3.9
99.04479	3.3
99.08131	1.0
103.05457	1.0
105.07040	13.8
107.04960	4.9
107.08599	22.4
109.02834	1.0
109.06525	6.1
109.10166	12.0
111.04440	2.1
111.08087	2.0
115.05465	0.9
117.07022	8.3
119.08589	14.1
121.06508	2.2
121.09333	1.3
121.10152	15.9
122.10548	0.6
123.08074	8.1
123.11689	4.0
125.06004	1.1
125.09634	3.0
127.03912	4.2
129.06999	2.2
130.07777	1.5
131.08562	10.0
133.10139	7.2
135.08051	2.0
135.11705	15.6
137.09627	2.0
137.13252	1.0
139.07587	0.8
143.08542	1.9
145.04985	5.3
145.05963	0.7
145.06352	0.6
145.10120	17.2
147.08041	1.5
147.11697	5.0
148.77826	0.7
149.09630	1.6
149.13274	4.9
151.11201	1.0
153.12746	2.3
155.08578	1.3
157.10078	1.3
159.11697	5.4
161.13298	4.2
163.06013	5.9
163.11192	19.6
163.14835	2.4
171.11708	1.6
173.09601	3.5
173.12004	0.7
173.13260	4.6
175.11293	0.7
175.14792	1.9
177.16486	0.9
181.12251	2.6
183.11687	0.9
185.13286	1.3
187.14868	2.1
189.11252	2.4
191.10635	3.1
193.12291	1.8
196.99086	0.7
197.09604	0.6
199.11183	0.8
201.16258	0.7
209.11719	5.4
209.13431	0.8
211.13261	1.6
227.12772	11.4
241.19646	0.9
243.21040	4.5
245.13725	0.7
259.20621	1.7
261.22165	12.5
267.15897	5.0
268.16324	2.2
277.21729	1.2
283.15411	100.0
284.15817	1.2
285.16968	0.9
299.23703	4.8
313.27350	2.3
314.27682	2.2
317.24927	3.6
332.51154	0.7
333.24310	2.4
335.25815	63.1
336.26273	1.3
415.29825	0.9
423.32703	0.9
433.30930	2.4
449.29718	0.7
451.32361	4.3
469.33188	3.5
487.34055	1.2
505.38644	1.1
506.39053	1.6
507.39655	1.5
515.37323	1.1
525.35815	6.9
543.36841	64.2
544.37067	1.3
561.37726	6.5
711.15735	0.7
771.60333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.7
67.05508	40.0
69.03435	3.4
69.07072	9.3
69.73775	3.0
71.01316	1.3
71.05003	3.8
73.02916	4.1
75.51423	0.5
77.03902	0.8
79.05496	37.0
81.03421	11.2
81.07059	45.5
83.01341	5.9
83.04992	9.7
83.08167	0.8
83.08618	12.9
85.02908	19.5
85.06492	2.2
89.12544	0.5
91.03433	0.6
91.03958	9.0
91.05482	21.6
93.07047	43.1
95.04983	6.0
95.08612	33.9
96.04479	0.7
97.02302	0.7
97.02897	10.6
97.06528	4.7
97.10170	4.6
98.21490	1.0
99.04464	2.5
99.08073	1.5
101.05955	1.3
105.04507	0.8
105.07036	15.2
107.04973	5.6
107.08598	25.0
109.02872	1.1
109.06509	6.0
109.10162	13.0
111.04456	3.6
111.08086	2.6
111.11780	0.5
115.03929	0.9
115.05412	0.7
117.06229	0.7
117.07012	8.1
119.08583	14.6
121.06509	2.9
121.10152	19.6
123.04353	0.5
123.08070	7.1
123.11735	4.0
123.17634	0.6
125.05983	1.3
125.09637	3.3
127.03929	4.5
129.07045	2.5
130.07779	1.2
131.08572	9.9
133.06555	0.7
133.10136	9.3
135.08017	2.0
135.10710	0.9
135.11700	16.7
137.09602	1.4
137.13219	1.1
139.11179	0.6
143.08511	2.1
145.04935	5.4
145.06415	0.9
145.10126	17.7
146.88673	0.6
147.07986	1.7
147.11726	4.5
149.09560	1.2
149.13264	5.6
153.09163	0.5
153.12703	3.0
155.08568	0.9
157.10110	1.6
159.11693	5.6
161.13272	4.4
162.07558	0.5
163.06033	6.3
163.11188	17.9
163.14806	2.8
169.10191	0.7
171.11606	1.5
173.09607	2.3
173.13277	5.5
175.11208	0.7
175.14787	1.9
177.16348	1.2
181.12276	2.7
183.11693	0.7
185.13242	0.9
187.14766	2.1
189.11192	1.8
191.10641	2.1
193.12175	1.9
197.13370	0.8
199.14803	1.1
201.16443	1.3
209.11670	4.5
211.13255	1.4
227.12766	9.9
229.14397	0.7
233.22511	0.6
243.21095	6.3
245.13870	0.8
259.20572	2.0
261.22147	17.1
267.15875	3.8
268.16162	1.6
273.22269	0.7
283.15405	92.1
285.17233	0.8
295.20654	0.5
297.22110	0.5
299.23712	4.8
301.21637	0.7
313.27243	1.6
314.27646	1.5
317.24698	5.0
333.24237	2.8
335.25809	86.1
336.26028	0.8
373.27158	0.7
405.32031	0.6
415.29800	0.8
433.30688	2.4
438.99084	0.5
451.32043	4.5
469.33176	3.7
487.34186	1.6
506.39215	0.8
507.39551	1.0
511.77936	0.6
515.37378	1.8
517.34772	0.9
525.35785	8.7
543.36835	100.0
544.37280	1.7
561.37854	7.5
656.02045	0.7
689.07697	0.6
761.59625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.5
67.05509	0.6
68.99791	1.5
69.03424	1.8
70.06588	0.7
71.01366	0.7
71.04994	22.1
71.54288	0.3
73.02930	1.3
75.04475	1.1
81.03413	1.2
83.04979	4.4
85.02907	27.2
86.09698	0.4
87.04506	0.6
89.03910	0.4
95.04987	0.9
97.02887	0.5
97.06559	0.4
98.97595	0.5
99.04441	1.3
105.06982	0.5
107.04975	0.3
109.02901	0.9
111.00787	0.5
111.04442	3.3
113.05993	0.5
117.05509	0.5
119.04950	0.6
121.02863	5.7
123.04461	0.7
127.03965	1.0
129.05487	7.5
135.04434	0.9
136.07564	0.3
137.02357	15.1
137.03436	1.6
137.05965	0.3
145.02884	0.7
145.04858	0.3
147.04391	2.2
147.06523	1.2
149.02377	0.9
153.01839	13.2
153.05441	1.3
159.04488	0.3
161.02290	0.7
163.03915	4.3
163.06056	0.8
165.01865	0.7
171.02811	0.3
171.06573	0.8
177.01871	0.5
177.05455	0.5
183.02895	0.5
183.04486	0.4
187.03981	0.5
189.01921	0.7
189.05504	0.6
191.03435	0.6
199.04012	0.4
201.05518	0.4
201.07617	0.5
203.03377	2.6
205.05032	1.2
207.02930	1.3
213.05516	0.3
215.03415	0.4
217.04942	1.8
227.03365	0.6
228.04214	0.5
229.05032	0.9
231.02963	0.3
239.09152	0.8
241.05200	0.4
243.02882	0.4
245.04419	2.0
253.04971	0.4
255.02907	1.0
257.04565	1.1
259.02383	0.3
259.05994	0.4
263.07111	0.4
269.04495	0.9
271.02438	1.3
273.03900	3.4
274.04660	0.4
279.06558	0.6
281.04535	0.7
283.02609	0.3
283.05997	0.5
285.03967	1.9
286.05002	0.3
287.05481	1.5
291.06409	0.3
295.05923	0.4
297.04041	2.8
298.04709	1.1
299.05591	0.4
301.03241	1.6
302.04181	1.9
303.04895	4.8
307.06021	0.6
309.03955	0.4
311.05661	0.8
313.03476	1.8
315.04950	2.9
319.06177	0.7
321.07526	0.3
323.05566	0.3
325.03452	1.2
326.04282	0.4
327.05121	0.4
331.06186	0.6
333.03952	0.3
335.05496	0.7
337.03519	0.7
337.07095	0.4
339.04959	1.3
341.02997	0.4
341.06415	1.4
343.04608	1.0
347.05493	1.4
349.07245	0.9
351.05197	0.5
353.06656	0.6
359.05597	0.5
361.03384	0.4
361.07355	0.5
363.05118	0.9
365.06741	1.5
369.02316	0.3
375.05014	0.4
377.06772	1.0
379.04636	0.9
381.06555	0.6
385.06641	0.5
389.06677	0.6
391.04370	0.7
392.05273	0.7
393.06183	1.2
395.07782	0.4
397.07327	0.4
403.04074	0.4
405.06219	1.3
409.05527	0.8
411.07355	0.5
413.06732	0.3
419.03751	0.3
421.05475	2.6
423.07452	0.8
425.05344	0.3
431.08096	0.4
433.05798	0.3
435.03061	0.5
437.05484	0.5
443.07794	0.5
451.06369	0.5
453.04529	1.4
455.07550	0.4
459.07025	0.6
463.06616	0.5
465.04379	0.4
467.06882	0.3
469.05313	0.5
471.06982	0.7
473.08826	0.4
483.07227	0.5
485.08725	0.4
487.06729	1.9
495.07541	0.5
501.08139	1.1
511.06561	1.2
513.08350	0.7
515.06311	0.5
529.07916	1.4
531.09033	1.6
547.08740	4.5
557.07288	0.5
559.08911	0.4
574.07416	0.4
575.08453	1.4
587.08246	30.9
588.08783	0.7
603.07715	100.0
604.08136	1.9
615.07819	2.5
627.07690	3.0
645.09009	2.5
669.08514	1.7
695.09979	0.7
713.11200	1.1
731.11884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.9
67.56323	0.3
69.03434	3.5
69.07078	1.0
69.26662	0.7
69.27059	3.1
70.06619	0.9
71.01389	0.7
71.05001	1.7
71.38258	0.3
73.02924	3.0
79.05506	2.4
81.03416	5.6
81.07044	2.3
81.57878	0.4
83.04998	1.1
83.08628	1.1
84.72927	0.4
85.02911	7.6
87.04480	0.8
91.03950	2.9
91.05485	3.1
93.07050	2.1
95.04971	2.1
95.08607	1.1
97.02897	5.3
97.06554	0.7
101.01775	0.4
101.02415	1.8
103.03990	0.4
105.07063	1.4
107.08626	1.2
109.02909	0.8
109.06557	0.5
111.04454	0.4
111.08132	0.5
115.03976	0.4
119.08618	1.2
121.10173	1.2
127.03925	1.8
129.07063	0.9
131.08620	1.3
133.10168	1.3
138.45450	0.4
141.54076	0.4
142.78671	0.4
145.05014	0.6
147.11743	1.3
149.09708	1.1
157.10214	0.9
163.11125	0.5
175.11238	1.0
185.04262	1.0
193.12326	2.3
203.05275	0.6
211.13278	0.4
225.14909	0.5
234.44963	0.4
243.08553	1.7
251.12715	0.5
267.16098	1.4
283.15125	2.9
285.10309	0.5
299.45477	0.4
339.18036	1.1
347.09494	2.8
365.10916	0.8
405.13696	5.7
469.20477	8.5
501.23090	8.2
529.16461	0.5
631.25775	7.5
663.28418	7.0
674.89282	0.5
729.36829	3.0
891.41998	100.0
892.42078	3.1
899.07904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69139	0.4
65.03941	0.8
67.05507	17.2
69.03434	3.4
69.07070	4.6
70.34800	0.7
70.35199	0.8
71.01347	0.4
71.04997	2.7
73.02910	1.5
79.05499	17.9
79.39906	0.4
81.03421	71.5
81.07057	19.9
83.04984	8.9
83.08624	20.2
83.09125	0.9
85.02908	12.8
85.06558	1.2
87.04475	0.5
91.03955	2.2
91.04900	0.7
91.05486	18.6
93.07047	12.2
95.04975	23.5
95.08611	8.3
97.02894	4.7
97.06532	3.1
97.10178	4.9
99.04439	0.6
99.08093	0.8
105.04562	0.4
105.07036	16.2
107.04958	6.9
107.08595	7.2
109.02903	0.8
109.06516	5.2
109.10158	4.7
111.04443	2.2
111.07368	0.8
111.08091	8.2
113.06002	1.3
115.05437	2.0
117.07010	2.7
119.04975	1.0
119.08588	14.9
121.06512	4.0
121.10147	8.0
123.04441	1.1
123.08070	2.5
123.11620	0.8
125.09631	3.5
127.03912	1.1
127.07565	0.7
128.06281	0.6
129.05501	0.6
129.07013	10.8
131.04935	0.6
131.07622	0.5
131.08578	9.7
133.06494	3.7
133.10139	6.9
135.04440	0.5
135.08116	2.0
135.11667	1.3
137.06000	1.0
137.09648	1.2
141.06970	0.7
142.07770	2.2
143.08566	1.6
145.04961	0.7
145.06491	4.6
145.10143	2.8
147.04349	0.4
147.08058	4.4
147.11685	9.7
147.12807	0.7
149.06087	0.4
149.09628	6.0
151.07513	0.8
153.09109	0.8
155.08563	1.1
157.06479	1.3
157.10132	12.0
159.08015	1.3
159.11661	0.9
161.05991	0.9
161.09628	0.9
163.05989	0.8
163.11179	1.8
165.12766	2.8
167.08530	0.5
169.06552	0.7
169.10124	0.7
171.08072	1.2
171.11768	1.6
173.09659	0.7
173.11761	0.9
173.13171	0.5
175.11192	11.7
177.12733	0.9
181.10109	0.6
183.08058	0.7
183.11685	0.7
185.09680	0.9
185.13280	0.7
187.11127	0.9
187.14746	0.6
189.09372	0.5
189.11226	1.5
189.12770	0.8
191.10703	0.6
193.12259	33.1
195.11699	1.0
197.09663	0.7
197.13284	0.5
201.12720	0.5
205.12201	1.0
207.11681	0.5
207.13800	0.4
211.11409	0.5
211.13298	13.9
211.15300	0.8
213.12708	0.8
215.14333	0.7
217.12357	0.6
223.11281	0.5
223.13213	0.5
227.12776	1.3
229.12379	0.5
229.14320	2.0
232.04468	0.4
233.15343	1.1
235.13252	0.5
237.12663	0.8
249.14751	2.1
255.13895	2.2
259.13385	0.5
267.15924	100.0
268.16263	1.0
273.14813	5.0
283.15424	1.4
285.10010	0.5
285.16977	11.5
301.14255	0.8
309.17032	0.6
314.33578	0.5
319.15277	0.6
323.19714	0.7
339.23181	1.0
341.21121	1.7
349.21692	2.9
357.24167	1.1
367.22690	8.3
385.23709	9.2
393.18906	0.5
403.24771	2.3
415.24933	0.7
421.25891	0.5
423.25391	0.7
433.25882	18.2
437.25012	0.5
441.26395	7.9
459.27423	83.7
460.27661	1.3
477.28500	50.8
478.28717	1.2
491.30307	0.9
501.28412	2.0
509.31223	0.8
519.29413	3.2
525.28729	0.7
543.29321	0.8
567.29358	0.5
573.30286	0.9
585.30652	2.3
603.31555	1.7
621.32806	1.3
840.97040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.8
67.05503	15.5
69.03434	4.6
69.07066	7.3
71.04987	1.2
71.08633	14.2
73.02908	2.0
77.44589	0.5
79.05495	10.2
81.03421	33.3
81.07058	19.0
81.07533	1.1
83.04986	7.0
83.08145	1.3
83.08619	15.5
84.85299	0.6
85.02907	20.1
85.06564	0.9
85.10175	8.5
87.04472	0.8
89.06049	0.9
91.03952	5.7
91.05478	16.0
93.07049	8.3
95.04973	13.6
95.08605	14.5
97.02879	6.3
97.06530	2.0
97.10163	4.5
99.08120	0.6
99.11719	0.8
105.07033	11.1
106.28170	0.8
107.04946	3.1
107.08620	3.6
109.06522	2.6
109.10147	5.6
111.04432	2.5
111.08086	4.8
111.11732	0.8
113.06000	0.9
115.03961	0.8
115.05454	0.8
115.07598	0.9
117.51382	0.6
119.08578	9.3
121.06519	1.2
121.10153	5.0
123.04466	0.6
123.08067	2.0
123.11701	3.0
127.03923	2.0
127.07592	0.8
129.07019	4.9
131.08603	4.8
133.06485	1.1
133.10130	5.8
137.09593	0.9
137.13190	0.7
142.07767	1.0
145.04976	3.0
145.10065	1.0
147.07947	1.5
147.11693	9.2
149.09641	2.9
157.08919	1.2
157.10130	10.4
163.06070	3.5
165.12794	1.2
175.11197	7.2
184.07408	1.8
193.10469	0.8
193.10898	0.5
193.12247	26.2
211.13293	38.1
229.23195	0.6
235.18800	0.6
239.23767	1.3
243.12244	0.7
257.24942	1.0
267.15915	15.6
285.16974	55.4
286.17499	1.0
304.71896	0.8
313.27365	59.2
332.00760	0.7
402.72549	0.7
505.38916	14.9
523.39966	100.0
524.40417	2.4
595.32733	0.6
667.44122	0.8
851.08765	0.8
890.23376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02945	6.3
65.03947	6.6
66.48412	3.8
67.05508	87.0
69.03429	9.8
69.07075	47.2
71.04987	10.9
71.54859	4.8
79.05500	77.4
81.03410	17.3
81.07066	100.0
83.04977	18.9
83.08617	17.9
85.02910	10.3
85.06562	5.3
86.09702	13.1
91.04973	7.2
91.05486	77.4
93.07048	76.1
95.04989	11.6
95.08613	45.0
97.02880	7.2
97.06522	18.3
97.10182	10.0
105.07029	67.9
107.04962	16.4
107.08594	50.2
109.02875	4.7
109.06512	8.0
109.10141	25.8
111.04443	8.2
111.08077	7.7
117.07014	27.2
119.08584	54.7
121.06478	8.6
121.10148	31.8
123.08035	7.1
125.00027	9.4
125.09634	13.3
127.03841	6.2
129.06999	18.1
131.08577	37.1
133.10143	39.1
135.08096	8.3
135.11691	15.3
141.06961	6.1
143.08562	13.8
145.10150	33.0
147.11685	28.5
149.09633	15.6
149.13274	11.1
155.08560	7.0
157.10089	14.0
159.11697	26.0
161.13274	16.5
163.11211	14.7
165.12837	4.7
167.08563	5.1
169.10104	5.6
171.11736	11.8
173.13219	13.6
175.14839	9.3
179.14334	6.2
183.11775	9.2
184.07329	44.4
185.13255	11.3
187.14771	7.0
189.11208	7.6
189.16408	4.9
197.13287	7.5
199.14766	8.5
215.18114	5.3
227.12787	8.7
239.18042	6.1
241.19348	5.8
257.19037	18.5
259.20566	13.9
269.17450	17.6
275.20102	24.6
291.19550	10.9
293.21072	5.3
333.24210	12.7
335.25839	9.1
349.23871	20.9
367.24948	6.7
463.30844	5.0
513.35620	9.3
527.37292	11.0
543.36505	7.7
607.43268	14.0
618.47284	4.3
625.44336	17.4
641.43512	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	856.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	67.6
65.03923	2.2
66.91850	1.9
67.05507	52.8
69.03413	7.4
69.07069	11.0
71.04993	4.1
71.08648	2.0
71.54173	2.2
71.54546	2.4
73.02924	24.5
73.50494	1.7
79.05495	33.2
80.72147	1.6
81.03400	6.2
81.07056	67.3
83.04977	3.3
83.08617	6.1
85.02910	97.8
85.06508	3.1
86.09680	3.2
87.89096	1.7
91.03960	77.1
91.04531	4.4
91.05489	13.4
93.06491	2.9
93.07048	45.8
95.04967	2.9
95.08611	48.8
96.69730	1.9
97.02894	45.2
97.06496	3.4
97.10148	3.8
99.04450	5.4
99.08093	3.1
103.03951	2.8
105.07038	11.5
107.08586	28.4
109.02865	4.9
109.06503	2.4
109.10160	35.3
111.08074	2.2
113.09644	2.1
115.03922	4.8
117.07001	5.5
119.08582	14.7
121.09348	2.5
121.10151	30.8
122.12829	1.7
123.08102	3.1
123.11687	14.5
125.09563	1.8
127.03915	33.8
131.08572	14.6
133.10126	14.3
135.11703	26.5
137.13251	9.4
145.04959	48.5
145.10146	13.3
147.11655	11.3
149.13272	18.4
155.97556	2.0
159.11714	11.8
161.13258	9.0
163.06024	99.2
163.07407	4.7
163.14813	12.7
165.12730	2.6
173.13245	12.7
175.14844	3.9
177.16399	5.6
184.07303	4.4
187.14809	10.7
201.16312	2.3
229.14235	2.3
233.22545	2.2
243.18854	2.6
243.21111	38.7
261.22147	100.0
263.23584	2.7
279.23145	4.9
325.11072	5.1
335.25836	34.4
353.26871	83.7
354.27383	2.4
465.64966	1.9
497.31342	9.9
669.14172	2.0
692.37390	2.1
784.01440	2.4
856.43707	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	856.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	57.8
67.05510	55.4
69.03425	5.9
69.07088	9.3
71.05006	3.0
73.02917	17.1
79.05494	31.9
81.03403	5.5
81.07058	69.9
81.07538	4.0
82.07414	1.9
83.01248	1.6
83.04990	2.8
83.08626	8.7
85.02905	71.9
91.03958	58.5
91.04534	2.6
91.05481	18.8
93.07042	45.6
95.04951	3.0
95.08607	58.0
97.02893	37.3
97.06527	2.7
97.10183	4.7
99.04442	2.1
99.08094	2.3
103.03960	2.2
105.07048	18.6
107.08587	28.5
109.02892	2.8
109.10159	35.6
111.08091	3.8
115.03954	4.5
117.05502	2.4
117.07021	8.1
119.08579	15.2
121.10138	30.0
123.11714	16.1
125.09631	2.1
125.76550	1.9
127.03922	27.3
131.08572	13.6
133.10112	12.1
135.11693	22.3
137.13254	8.0
145.04965	41.9
145.10104	11.0
147.11681	9.3
149.13264	16.9
159.11638	12.5
161.13301	7.7
163.06024	82.3
163.11211	2.1
163.14806	14.9
165.12802	2.7
173.13206	14.6
175.14828	5.2
177.16356	3.6
179.14355	2.4
184.07370	6.1
187.14772	10.9
192.98410	2.1
205.15900	2.3
215.17979	2.6
233.22565	2.8
243.21106	39.1
261.22134	100.0
279.23309	6.7
325.11447	5.2
335.25836	37.3
353.26868	98.1
497.31281	10.8
856.44421	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	854.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.7
67.05141	2.4
67.05508	48.5
69.03439	13.8
69.06686	1.8
69.07070	34.9
71.05000	4.6
71.22981	1.4
71.53964	1.9
79.05495	44.0
81.03430	12.8
81.07056	50.1
83.04969	12.3
83.08621	13.4
85.02899	4.1
85.06529	2.1
91.05485	44.1
93.06494	2.6
93.07052	41.9
95.04995	11.8
95.08607	20.5
97.02894	14.5
97.06531	13.0
97.10180	14.9
99.08066	2.2
103.05474	1.6
105.07031	30.1
107.04967	11.7
107.08591	29.0
109.02897	1.9
109.06497	6.0
109.10168	14.8
111.04461	2.9
111.08079	3.3
115.05512	2.0
117.07017	16.3
119.08588	22.2
121.06495	5.7
121.10150	11.5
123.08056	4.9
123.11728	3.1
125.09657	9.2
127.03885	2.7
129.07013	7.4
131.08563	16.3
133.06519	4.1
133.10153	15.7
135.08026	6.1
135.11676	11.4
137.09644	2.7
143.08583	3.3
145.10129	14.2
147.08023	7.0
147.11717	7.9
149.09641	8.9
149.13251	6.9
151.11191	4.7
157.10115	5.2
159.07985	2.1
159.11699	13.0
161.09677	2.8
161.13208	3.4
163.11183	9.0
163.53944	1.7
166.27014	1.6
169.10117	2.6
171.10219	3.0
173.13306	5.0
175.11197	3.3
177.12717	5.5
179.14316	1.9
183.11742	2.4
185.13242	1.7
189.11224	7.3
189.12781	2.2
195.11800	2.0
195.13786	4.4
223.13344	16.1
227.12703	11.9
239.18024	2.5
247.20587	2.1
249.14842	3.6
253.14412	5.3
255.15929	6.7
257.19131	8.2
263.19827	1.4
267.15805	2.8
269.17429	14.9
273.18512	14.5
275.20087	22.1
289.18076	2.2
291.19553	100.0
292.19919	1.6
331.22760	1.8
347.22150	2.8
349.23730	22.2
365.23276	51.7
367.24643	3.2
518.47632	2.0
526.78442	1.7
527.73755	1.5
541.34998	4.0
543.36530	2.1
545.34686	15.3
559.36292	52.9
599.39661	2.0
621.40979	2.8
622.93140	1.6
639.42468	29.3
657.43884	2.1
854.45892	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	854.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	8.4
64.98554	0.5
65.03957	1.5
67.05507	21.7
69.03431	6.3
69.07069	7.2
70.06576	0.5
70.33970	0.9
70.34380	1.4
71.04998	5.6
73.02924	2.9
77.03930	0.6
79.05499	24.7
81.03423	73.3
81.07062	28.4
83.04989	16.4
83.08624	26.2
83.09129	0.9
83.71458	0.5
85.02910	36.5
85.06544	2.2
91.03960	6.2
91.05485	32.4
93.07047	17.2
95.04973	30.8
95.08606	11.1
95.09170	0.8
96.04518	0.6
97.02891	8.4
97.06542	3.8
97.10162	4.2
99.04491	1.0
99.08078	1.2
103.05471	0.6
105.07038	24.7
107.04964	7.5
107.08600	9.1
109.02882	0.7
109.06521	5.3
109.10159	4.0
111.04453	2.9
111.08087	11.6
111.08868	0.6
113.06011	2.9
115.05468	2.0
117.07057	2.3
119.08593	20.4
121.06493	2.4
121.10146	10.3
123.04486	0.6
123.08087	4.0
123.11721	2.0
125.09629	1.6
127.03896	2.4
128.06271	0.6
129.07021	12.9
131.08580	13.3
133.06525	4.0
133.10138	13.7
135.08109	0.7
135.11679	1.0
137.09604	2.4
142.07805	3.3
145.04958	2.8
145.06512	0.7
145.10120	2.1
147.08070	3.8
147.11697	18.6
149.09639	8.3
151.11186	0.5
155.08546	0.7
157.10143	17.8
163.06035	2.0
163.11253	1.3
165.12759	4.5
171.11745	0.8
175.11189	16.8
178.11490	0.5
193.12253	54.7
211.13300	80.0
212.13722	0.8
227.12715	0.5
233.15463	0.6
236.89314	0.5
249.14914	1.0
267.15933	43.1
273.14969	0.6
285.16977	88.0
286.17435	1.1
287.23911	0.7
305.24652	0.7
349.21716	1.1
360.94592	0.5
367.22818	2.8
385.23895	4.4
403.24963	1.2
433.25848	2.4
441.26535	1.7
459.27444	37.2
460.27933	0.6
477.28497	39.2
478.28894	1.5
495.29568	100.0
496.29834	1.9
608.42059	0.5
621.33002	1.0
639.33685	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	850.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04534	0.3
63.51294	0.3
64.62559	0.3
65.03938	4.8
66.01408	0.3
66.18103	0.3
67.05489	0.5
68.05038	0.3
69.03423	0.8
69.87994	0.8
69.88415	0.7
70.06596	22.6
70.72575	0.3
71.08627	3.2
71.46980	0.3
72.08140	0.7
74.06065	0.4
81.03396	0.4
81.07040	0.4
83.04949	0.4
83.95046	0.3
84.08137	0.5
85.10180	1.0
86.09712	0.5
88.07635	27.5
95.04984	0.4
97.02905	0.6
98.21489	0.5
98.50422	0.3
102.09184	21.4
103.01856	0.4
105.03386	0.8
109.10143	0.4
111.04467	0.6
121.02855	1.8
121.04005	0.3
131.04922	0.9
132.02141	0.3
133.02831	0.6
139.03893	1.9
147.04471	1.8
149.02353	88.5
149.03427	6.3
149.77490	0.3
150.02625	0.5
175.03886	2.8
177.05475	2.0
191.07013	1.6
193.04968	48.2
212.23738	0.6
219.06581	2.0
225.05557	0.3
229.14223	0.3
232.19266	0.3
237.07584	11.2
256.26358	64.2
257.26770	1.0
269.04547	0.5
297.03824	1.4
300.29001	0.8
313.07132	1.0
341.06613	3.7
343.08121	1.4
359.07474	1.8
385.09174	7.6
411.10608	0.7
429.11755	1.9
533.10669	1.4
577.13348	8.5
621.15973	11.0
640.35419	0.5
662.57141	0.4
832.39008	1.6
850.40057	100.0
851.40680	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	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.5
61.02932	9.3
63.14413	0.9
65.03925	2.5
67.05508	87.9
69.03419	2.9
69.07056	5.6
69.75859	4.1
71.04980	3.1
73.02906	4.3
78.07674	1.0
79.05498	15.7
81.06597	1.9
81.07059	34.4
81.88542	1.1
83.04980	1.6
83.08641	7.3
85.02912	13.7
85.06517	2.3
86.09708	2.6
87.11306	1.2
91.03954	8.8
91.05488	11.9
93.06492	1.4
93.07052	22.7
93.90804	1.0
95.04953	1.3
95.08611	27.4
96.04472	1.2
97.02895	7.4
97.06534	1.4
97.10184	1.8
98.21485	1.7
99.08129	1.0
105.07047	7.3
107.08595	12.3
109.10160	71.5
111.08078	2.4
115.03979	1.0
117.07002	2.7
119.08579	10.8
121.10149	10.8
123.11695	2.9
125.00047	1.6
125.09616	1.5
127.03893	3.7
130.23361	1.1
131.08553	5.0
133.10132	6.1
135.11707	6.3
137.09598	4.1
137.13239	1.1
140.73969	1.1
145.04962	4.2
145.10124	3.1
147.11684	4.7
149.13278	5.0
155.10664	5.7
155.91826	1.0
159.11700	3.1
161.13252	1.5
163.05998	4.1
163.14798	2.9
173.11798	19.5
173.13295	3.8
182.76865	1.0
184.07335	7.4
187.14775	1.1
189.11151	1.2
201.16222	1.3
227.12805	7.6
229.14366	100.0
235.94902	1.2
243.21075	4.2
261.22147	17.8
317.24664	1.9
335.25827	73.4
336.26031	1.6
379.29849	1.2
397.30862	2.9
415.31860	2.3
471.34546	3.4
489.35785	55.8
495.16150	1.4
507.36694	7.1
848.49463	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	845.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70272	0.7
59.70589	0.7
61.02922	3.9
67.05510	4.9
69.03434	2.5
69.07085	1.7
71.04987	0.9
71.07388	0.8
71.40140	1.0
73.02932	2.4
79.05489	3.9
81.03440	2.3
81.07057	4.1
83.04985	3.4
85.02902	3.3
86.09714	6.5
91.03976	2.2
91.05489	3.7
93.07054	4.9
95.08633	2.7
96.00122	0.7
97.02904	4.1
97.97200	0.7
99.04470	1.1
101.02414	0.8
105.07040	2.5
107.08604	3.0
111.04468	2.4
112.96239	0.6
117.07029	1.0
119.08596	1.8
121.10153	1.5
125.00006	4.3
127.03935	1.8
133.10149	1.7
135.11781	1.5
145.10153	1.0
147.11723	1.0
159.11731	0.9
171.48270	0.7
184.07356	17.2
185.07700	1.5
204.54292	0.6
243.08389	3.6
259.20834	0.7
261.01266	0.7
295.36829	0.8
301.09048	1.3
333.20508	2.4
335.07089	0.8
427.18311	0.7
453.21237	0.9
465.21121	0.8
509.51581	0.7
535.28772	7.2
551.28436	4.9
623.30420	1.2
709.27100	2.0
845.50226	100.0
846.50439	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	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.8
61.02931	10.1
65.03935	1.3
67.05507	89.9
69.03425	2.0
69.07073	7.4
70.62222	2.0
71.04987	3.7
71.08649	0.8
71.79569	0.5
73.02917	3.2
77.03922	0.7
79.05499	20.9
81.03435	1.7
81.07060	34.9
83.04974	1.9
83.08623	7.3
85.02910	13.8
85.06553	3.7
86.09705	1.3
87.04495	0.8
91.03967	9.0
91.05482	13.7
91.06023	1.0
93.07047	26.0
95.04995	1.4
95.08610	29.2
96.88033	0.6
97.02899	7.8
97.06535	1.5
97.10180	2.7
98.21535	0.6
99.08074	0.8
105.04565	0.6
105.07032	7.3
107.08594	15.6
109.02881	1.0
109.06544	0.8
109.10161	74.8
111.08084	3.2
117.07024	2.9
119.08588	12.7
121.10152	14.1
123.08096	0.7
123.11725	4.9
125.09639	1.8
127.03899	3.5
131.08580	7.3
133.10127	4.4
135.11694	9.3
137.09641	3.1
137.13295	1.4
137.34392	0.6
145.04962	4.4
145.10109	4.4
147.11681	4.1
149.13292	6.5
150.40912	0.7
155.10670	5.3
159.11690	4.0
161.13258	4.0
163.06024	4.1
163.14798	3.3
173.11758	17.8
173.13268	4.4
175.14854	1.9
177.16359	0.9
184.07318	3.1
185.13220	0.7
187.14815	1.8
189.11270	1.2
195.41406	0.6
197.31538	0.6
227.12788	5.9
229.14360	100.0
230.14557	0.7
243.21141	5.9
261.22156	23.3
263.23932	0.8
277.48215	0.7
279.23251	0.7
317.24829	4.1
335.25809	83.1
336.26059	1.0
379.30197	0.9
397.31055	2.0
415.31815	1.7
471.34631	2.8
489.35776	87.5
490.35696	1.7
507.36899	9.7
623.43170	0.6
633.39087	1.0
651.41199	0.8
770.52911	0.7
848.50012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88525	3.3
60.99382	2.5
65.03938	4.8
67.05508	95.7
69.03423	8.5
69.07070	39.9
71.04988	8.0
71.54024	4.5
73.06557	3.3
79.05497	83.1
81.03428	18.8
81.06593	6.1
81.07058	100.0
83.04984	16.4
83.08624	22.7
85.02908	11.7
85.06542	6.3
86.09689	7.5
87.08115	3.0
91.05486	98.9
93.07046	89.1
95.04968	10.3
95.08610	66.8
97.02885	4.7
97.06542	16.9
97.10172	11.3
99.04455	6.7
99.08099	3.5
103.05466	3.8
105.07033	93.5
107.04953	7.0
107.08603	51.1
109.06522	8.9
109.10174	23.7
111.04441	9.8
111.08064	9.3
115.05450	8.0
117.07037	46.2
119.08582	78.1
121.06474	5.4
121.10160	37.0
123.08090	8.3
123.11724	10.2
124.99990	6.2
125.09628	6.0
127.03937	5.3
128.06233	4.8
129.05487	3.4
129.07008	20.6
130.07838	3.2
131.08575	50.0
133.06531	5.0
133.10139	51.7
135.08047	4.6
135.11691	28.7
137.09630	4.1
141.06989	8.0
142.07774	6.2
143.08572	28.5
145.10132	42.3
147.08054	6.1
147.11700	39.4
149.09627	10.2
149.13258	16.4
155.08571	17.2
157.10139	23.6
159.11694	29.4
161.09601	5.0
161.13283	16.5
163.11229	8.1
163.14760	3.5
165.12773	3.0
167.08594	6.1
169.10139	11.8
171.11702	19.9
173.04495	3.7
173.09599	3.0
173.13196	13.3
175.11218	4.8
175.14850	8.4
177.12689	3.8
180.53642	2.8
181.10138	6.8
183.11711	12.5
184.07347	26.6
185.13257	13.7
187.14847	5.4
189.12651	4.2
195.11723	10.2
195.13708	5.3
197.13246	9.0
199.14867	8.9
207.11754	4.2
209.13310	6.9
211.14888	4.6
215.17989	3.8
221.13383	2.9
225.16451	3.5
227.12779	4.4
231.21162	4.3
236.36252	3.0
237.16461	4.8
241.19479	16.4
255.15947	12.3
257.19012	8.2
259.20605	46.9
269.17441	16.3
275.20123	20.8
291.06107	2.9
315.23181	8.3
331.22507	3.4
333.24255	46.8
335.25937	5.7
337.25339	3.6
349.23801	11.4
357.06784	2.7
417.31216	3.7
435.32675	3.2
497.36072	3.1
513.35693	26.5
515.38031	9.0
525.35413	3.4
527.37415	45.2
531.36804	4.8
533.39783	6.0
545.38177	7.6
551.40710	3.9
567.40216	3.3
607.43506	31.5
625.44702	36.6
689.41718	3.7
769.48505	4.2
771.31158	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	839.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	5.6
61.02936	47.1
65.03957	3.7
65.54092	3.3
67.05511	100.0
69.03429	7.0
69.07075	21.1
69.07378	3.1
70.52953	8.0
70.53288	4.6
71.04987	4.0
73.02909	17.1
79.05499	52.4
81.03422	35.2
81.07063	86.8
82.07378	3.5
83.04981	7.9
83.08627	17.3
85.02919	41.6
85.06539	5.6
87.04475	4.5
91.03968	50.3
91.05502	25.9
93.07052	63.6
95.04977	8.5
95.08614	72.5
97.02889	27.0
97.06545	9.0
97.10192	8.1
99.04459	4.6
103.03968	4.0
105.07046	23.0
107.08604	48.5
109.02872	4.1
109.10160	58.9
115.03931	6.1
117.06990	7.0
119.08596	19.7
121.10141	40.1
123.08029	5.5
123.11703	22.8
125.09630	8.8
125.61631	3.8
127.03934	18.1
131.08575	19.2
133.10103	19.3
135.11691	31.3
137.13301	5.9
145.04999	22.8
145.10123	18.5
147.11711	12.8
149.13261	18.4
159.11723	17.4
161.13275	11.5
163.06029	46.6
163.11195	7.0
163.14832	10.7
173.11821	4.7
173.13275	12.2
175.48549	3.9
177.16437	6.2
187.14876	9.5
193.12282	7.9
194.12711	4.7
209.11734	4.3
217.14145	3.8
217.71001	3.6
229.14380	12.2
243.21068	34.1
261.22134	98.8
267.15936	12.7
268.16315	6.0
335.25836	38.1
353.26907	64.3
374.32190	3.8
381.38739	3.4
457.25775	3.5
460.89264	3.8
475.10208	3.7
497.31186	11.2
535.83875	4.0
663.70575	4.2
829.31702	3.6
839.41998	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	838.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	6.2
61.95537	2.2
67.05505	79.9
69.03426	7.5
69.07072	17.3
71.04996	7.7
71.54464	4.6
73.02927	3.1
79.05500	34.8
81.03423	90.5
81.07047	36.5
83.04991	14.7
83.08621	29.7
85.02888	9.3
85.06544	2.7
86.09699	3.4
91.05479	31.4
93.07052	26.2
93.76369	2.8
95.04971	35.4
95.08601	12.6
95.39276	2.6
97.02884	7.8
97.06515	6.6
97.10168	15.4
105.07040	20.2
107.04972	16.3
107.08587	18.2
109.06510	9.2
109.10160	63.7
111.04453	7.4
111.08119	13.6
115.05442	2.9
117.07022	6.5
119.08573	22.8
121.06512	10.7
121.10188	13.1
123.08035	4.6
125.09631	13.7
127.04023	2.7
129.05498	3.7
129.06990	13.5
131.08586	10.9
133.06490	5.2
133.10138	8.9
134.45085	2.2
135.08011	4.7
135.11693	10.0
137.09607	3.1
142.07750	3.6
143.08537	3.4
143.90425	2.9
145.10123	8.7
146.41548	2.5
147.04428	5.8
147.08115	6.1
147.11702	9.4
149.09612	9.2
153.05412	2.8
153.12715	4.7
155.10619	4.5
157.10141	14.4
159.08063	3.1
161.09618	5.4
163.11188	14.2
165.12730	3.8
173.09637	3.0
173.11790	17.3
173.13109	5.0
175.11218	12.5
181.12202	6.9
184.07353	5.0
189.11263	4.6
190.55408	2.5
191.10686	8.9
193.12241	32.2
199.13261	3.3
209.11794	5.8
211.13351	9.8
217.14372	3.8
219.13800	2.7
227.12749	23.3
229.14330	47.0
231.13876	3.6
233.09883	2.9
235.13359	4.2
247.13298	4.1
249.14934	6.9
259.13293	7.5
267.15930	100.0
273.15225	3.0
283.15378	14.3
289.18109	4.4
301.16455	9.3
337.21631	3.5
355.22668	5.2
367.22543	4.1
383.22131	10.0
385.23849	6.4
399.23730	15.2
401.23047	6.5
419.23892	4.7
421.25858	21.4
443.29831	2.7
457.25674	4.8
458.26608	12.1
459.27341	8.5
470.58408	3.2
475.26904	17.7
476.27774	20.3
477.28571	3.4
493.27826	15.5
511.28915	5.5
518.32452	7.8
573.34991	3.0
591.35229	10.7
594.43390	2.8
607.13800	2.8
818.93079	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	832.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	3.7
65.03922	1.9
67.05503	19.2
69.07061	6.0
69.75613	7.9
71.07382	8.1
79.05497	9.8
81.07060	15.0
83.04974	2.3
86.09231	1.5
86.09712	40.2
91.05482	4.6
93.07058	10.7
95.08607	16.6
98.21303	2.7
104.10745	45.7
105.07044	3.6
107.08604	4.0
109.10152	5.4
119.08598	3.6
121.10167	4.8
123.11716	1.5
124.99972	2.5
127.14893	1.3
131.08569	2.1
133.10129	2.0
135.11731	3.2
146.98190	48.9
180.22763	1.5
181.32518	1.4
184.07327	10.4
308.15170	1.5
325.55267	1.6
333.19147	8.4
335.25848	14.4
357.24026	2.0
439.16934	4.0
441.12036	1.7
465.87802	1.7
481.23315	31.4
540.30646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.6335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	1.2
65.03936	2.8
67.05506	56.4
69.03410	1.4
69.07069	26.1
69.62682	5.2
71.04999	3.8
71.46397	0.8
71.74701	0.9
77.03925	1.6
77.74276	0.7
79.05493	45.4
81.07059	62.5
83.04994	2.7
83.08619	12.8
85.02921	1.0
85.06537	3.4
91.05481	40.8
93.07047	55.0
95.04975	3.8
95.08607	58.1
97.06544	3.5
97.10177	8.1
98.20784	1.8
104.06275	0.9
105.04532	1.5
105.07030	42.9
107.08595	38.1
109.06520	3.4
109.09397	1.4
109.10150	26.6
111.08106	2.7
115.05481	2.7
117.07020	22.5
119.08584	38.7
121.10141	28.2
121.11027	1.0
123.08105	3.1
123.11705	7.8
125.09655	3.0
127.07573	1.3
128.06255	5.2
129.07004	15.1
130.07800	1.3
131.08569	33.7
131.09532	1.8
133.10123	30.7
133.11081	1.8
135.08092	1.6
135.11694	23.5
135.12727	1.4
137.13266	2.8
141.07002	7.7
142.07762	4.5
143.08565	20.2
145.10124	31.4
147.11681	17.7
149.09656	1.3
149.13268	11.7
151.14844	1.0
153.01823	1.1
153.07019	2.1
153.09132	1.0
154.07777	1.7
155.08571	13.4
156.09352	2.0
157.10126	21.5
159.11687	22.0
160.12346	0.8
161.09621	0.9
161.13269	9.0
163.11137	1.9
163.14795	4.9
165.07021	1.8
166.07831	1.4
167.08568	6.1
168.09384	2.8
169.10115	15.2
170.10962	1.0
171.11682	17.3
171.13116	0.9
173.13252	16.8
175.11255	0.8
175.14825	5.8
177.16472	1.3
178.07826	1.4
179.08572	4.8
180.09351	1.9
181.10161	8.8
181.11758	0.9
181.12282	0.7
182.10889	2.0
183.11688	16.7
184.07381	1.7
185.13261	13.9
187.14813	8.3
189.12752	1.3
189.16437	3.0
191.08565	1.3
193.10097	4.5
193.15845	1.1
194.10925	1.1
195.11722	10.8
195.13579	1.3
197.13280	12.5
197.15009	1.1
199.14841	9.3
201.16418	3.1
202.04968	0.9
205.10246	3.5
206.11023	1.3
207.11754	5.9
207.13651	1.7
209.13298	8.9
209.15219	1.7
210.13936	1.0
211.14844	8.2
213.16293	4.2
215.18065	2.0
217.10191	1.1
219.11797	2.1
220.12509	1.1
220.95178	1.1
221.13335	5.0
221.15294	1.5
222.14014	1.2
223.14874	7.4
223.16875	1.3
225.16486	4.3
227.18019	3.9
229.19620	1.4
231.11575	1.3
231.17491	1.1
232.12622	1.0
233.13258	3.0
235.14919	3.6
235.17046	3.2
236.52318	0.8
237.16451	4.5
237.18591	2.2
239.18031	3.8
241.19585	3.3
245.15512	1.4
247.14903	2.2
247.17165	1.2
249.16425	2.5
249.18590	2.4
251.18027	3.0
251.20242	2.0
253.19531	1.9
255.21230	1.8
259.20670	1.7
261.16339	1.3
261.18759	1.4
263.17908	2.6
263.20169	3.2
265.19476	1.2
265.21927	1.1
271.05109	1.0
271.17242	0.9
271.20627	1.0
273.18701	1.4
275.20209	2.7
277.18817	2.1
277.21658	28.3
279.23352	1.3
285.18716	1.6
285.22076	1.6
287.20157	2.6
289.21762	2.7
291.23541	1.0
295.20844	1.3
299.20255	2.4
301.21756	2.2
303.23340	3.2
309.22330	1.2
311.20224	1.1
313.21710	2.6
315.23282	2.7
317.24847	1.3
321.22211	1.4
323.20084	1.3
325.21799	2.1
325.25290	1.1
327.23291	2.6
329.24927	3.9
331.26343	4.0
333.28006	1.1
335.20062	1.0
339.23395	1.5
341.24826	2.1
343.26495	2.8
345.28085	3.2
347.29572	1.1
349.25131	1.6
351.23203	1.4
353.24542	1.6
353.28595	1.0
355.26328	2.1
357.27823	5.6
359.29495	3.1
365.24808	1.7
367.26523	1.4
369.28043	3.0
371.29584	6.0
381.28128	2.1
383.29364	7.1
385.31174	3.9
391.26480	1.3
393.27719	1.1
395.29385	2.0
397.31097	2.5
407.29675	2.9
409.31226	3.2
411.32941	1.1
421.31384	1.9
423.32700	1.2
431.31937	2.8
433.32104	1.7
435.32751	1.5
437.34241	1.1
445.33279	4.6
447.34088	2.8
457.33386	3.1
459.35001	5.0
471.34909	4.7
473.35913	2.1
483.35077	3.2
485.36392	3.1
489.37866	1.1
497.36362	2.6
499.38321	1.4
511.38397	1.2
517.40240	1.1
525.39185	1.6
537.39722	0.9
539.40845	1.4
551.40985	5.5
552.41711	1.9
553.42505	6.8
563.41089	1.2
577.42560	1.7
579.44269	1.9
591.44067	1.2
615.47253	1.2
617.45703	1.7
631.46741	1.1
633.49268	1.2
645.48682	2.3
657.86395	1.0
693.50739	1.1
719.53717	1.4
759.55804	3.4
760.56537	1.8
775.59283	1.4
793.61456	2.1
811.62311	4.9
829.63361	100.0
830.63489	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	824.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.8
61.39198	2.3
67.05506	40.0
69.03426	5.3
69.07075	14.7
69.33633	9.9
69.34051	10.4
71.04996	2.4
79.05504	35.5
81.07056	37.2
83.04992	15.0
83.08617	10.6
84.04527	2.8
85.02912	7.7
85.06509	3.2
86.09694	4.6
88.52785	2.5
91.05489	40.2
93.07044	36.5
95.04974	3.3
95.08601	30.5
97.02908	5.5
97.10148	3.9
98.21552	4.8
100.80365	2.5
101.05983	3.5
105.07034	30.8
107.08604	21.8
109.10168	15.0
111.04466	10.2
115.05450	6.2
117.07006	14.2
119.08591	29.3
121.10167	19.9
124.99989	4.0
127.03909	5.9
128.06207	3.1
129.07007	9.6
131.08569	21.1
133.10126	19.7
135.11716	7.6
141.06982	5.3
142.07845	4.4
143.08546	7.9
145.10143	19.1
147.11687	11.3
149.13225	3.4
155.08577	7.2
157.10159	8.8
159.11674	14.9
161.13263	6.0
163.14801	4.6
167.08603	3.9
169.10135	12.7
171.11717	10.6
173.13277	9.0
175.14812	3.4
181.09999	3.2
183.11694	10.4
184.07338	18.8
185.13281	6.1
187.14903	4.9
189.16426	3.5
195.11665	8.0
197.13271	8.2
199.14815	4.0
209.13268	4.3
211.14832	2.9
213.16533	3.4
223.14845	4.7
237.16393	4.1
239.17876	3.7
257.18951	2.7
259.20541	3.4
311.23639	2.8
329.15964	4.4
333.24283	6.9
351.26923	3.3
421.36530	2.6
461.02396	2.6
499.39392	3.3
517.40332	7.3
535.41516	5.2
539.37109	3.2
578.14404	2.7
591.43921	8.7
609.45142	100.0
653.75586	3.2
765.85785	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	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	6.7
57.07058	6.7
57.49237	2.5
65.03908	2.5
67.05505	38.7
68.30461	2.4
69.03416	8.4
69.07073	27.5
71.05011	3.6
71.53745	4.4
73.06540	2.8
79.05499	40.0
81.03413	7.9
81.07061	45.9
83.04981	16.6
83.08615	9.8
85.02892	3.4
86.09709	3.5
91.05480	61.7
93.06499	3.6
93.07047	45.2
95.01325	6.1
95.04968	6.9
95.08607	32.9
97.02912	6.2
97.06532	15.1
97.10160	8.4
99.04507	2.3
101.06051	2.5
105.07037	78.2
106.32313	2.3
107.04973	14.0
107.08605	25.4
109.02872	5.2
109.10152	11.0
111.04439	6.1
111.08055	3.1
117.07042	15.3
119.08583	44.7
121.06489	3.6
121.10143	14.5
123.11740	3.0
124.99991	3.5
127.03854	3.7
129.06984	8.2
131.08586	23.8
133.10138	45.5
135.11688	11.8
137.09612	3.0
143.08545	5.6
145.04915	2.6
145.10144	18.5
147.11694	26.1
149.09615	8.4
149.13245	8.1
157.10118	7.1
159.11688	16.5
161.09599	2.7
161.13246	14.3
163.11258	3.3
169.10141	3.1
171.11700	6.3
173.13281	6.6
175.14842	7.0
177.12714	3.4
179.14296	10.3
184.07349	13.2
185.13336	3.2
187.14674	3.3
197.13200	3.5
227.09138	2.5
237.22173	4.9
241.19571	15.5
257.19028	6.2
259.20624	24.0
275.20071	50.1
277.21622	3.0
293.20990	2.8
313.15012	2.4
315.23108	14.2
333.24261	51.3
349.23734	49.7
399.27328	3.0
573.76813	2.8
574.30267	2.8
607.43677	100.0
621.42755	3.2
625.44373	14.5
774.78278	2.8
822.48108	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	821.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
67.05491	1.3
69.03428	1.3
69.07047	0.4
70.06570	1.1
71.04995	0.8
71.53134	0.6
79.05496	1.4
81.03410	2.3
81.07050	1.1
83.04996	0.6
84.04514	1.1
85.02910	2.5
91.05471	1.5
93.07037	1.8
94.06570	2.1
95.04955	1.1
95.07333	1.4
95.08575	0.9
96.08121	2.6
97.02896	0.7
97.06532	1.9
105.07053	0.6
106.06507	0.8
107.05007	0.5
107.07316	0.5
107.08618	0.6
108.04517	0.8
108.08138	3.4
110.09686	3.7
116.04996	2.5
120.08128	3.3
121.10161	0.5
122.06045	4.5
124.07602	4.8
130.04970	0.8
134.05997	0.7
136.07585	7.5
138.09143	5.9
144.04446	4.8
146.06021	1.6
147.07677	1.4
148.07655	1.0
150.05490	1.2
150.09129	0.7
152.07059	0.9
153.01820	0.8
160.03947	1.0
162.05548	3.0
166.08655	9.3
170.09634	3.3
172.03947	31.6
172.07550	0.8
172.11223	0.9
173.02367	0.5
174.05505	0.9
174.09164	0.6
175.08711	1.3
184.07448	0.8
186.09174	1.2
187.12242	3.4
188.07060	0.6
190.05013	6.2
193.12300	0.6
198.09161	16.8
199.08746	0.9
200.09248	1.0
200.10770	1.7
204.06577	46.4
205.06963	0.6
206.08052	0.6
209.87604	0.5
212.10817	4.1
214.08768	0.6
215.11789	16.6
216.10237	0.9
225.10300	0.7
226.08675	6.4
227.08128	1.1
227.11845	2.1
229.09947	0.6
229.13341	0.7
231.11244	0.6
239.11873	0.8
240.10347	1.2
241.09752	1.3
241.13417	1.5
241.79601	0.6
242.10484	1.3
243.11307	85.6
244.11632	1.2
249.10181	0.5
251.11925	1.0
253.09744	0.5
255.11305	7.9
257.12848	5.0
265.09726	1.5
267.15936	0.7
269.09256	1.1
277.09702	0.8
279.11151	1.7
283.10672	0.8
285.12350	84.2
286.12662	1.2
293.49252	0.5
297.12332	1.3
301.11914	7.8
302.12207	0.6
303.13403	100.0
304.13733	1.5
307.10803	1.4
313.11673	0.8
323.10132	0.7
325.11813	7.6
327.13107	0.6
329.14993	0.8
339.13309	0.7
343.12827	1.3
351.09830	1.1
357.14490	8.8
358.15265	2.1
359.15961	2.1
371.12515	0.8
418.17392	0.8
419.11060	0.6
420.11447	0.8
456.15445	0.7
459.27771	0.6
462.16122	2.6
470.16830	1.1
474.16525	2.2
476.18277	3.2
487.17148	1.4
488.17908	0.8
494.19250	2.7
495.16223	0.7
513.17609	0.8
536.20374	2.7
583.25842	5.0
592.97864	0.5
599.25055	1.9
609.23047	1.4
623.24823	0.7
627.24561	13.1
641.26105	10.5
659.27325	2.3
750.25787	0.6
779.00336	0.6
789.29254	0.6
803.30829	1.8
833.93604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.04998	0.8
60.08159	0.5
61.02931	4.2
64.98866	0.4
67.05505	5.0
69.03435	3.3
69.07076	2.7
69.65111	0.8
69.65527	1.3
71.01364	0.7
71.04987	1.8
73.02926	3.7
79.05500	4.8
81.03421	5.0
81.07061	4.4
83.04976	1.5
83.08633	1.4
85.02914	5.0
85.06554	0.4
86.09702	3.9
87.04475	0.8
87.10038	0.5
91.03979	2.7
91.05475	3.9
93.07047	4.4
95.04961	1.9
95.08634	2.3
97.02904	3.7
97.06553	1.2
97.10158	0.4
98.21494	0.9
98.98485	0.7
99.04417	0.9
101.02402	1.6
105.07034	3.1
107.08615	2.5
108.02509	0.4
109.02892	1.0
109.06560	0.7
109.10180	1.7
111.08096	0.7
117.07040	0.6
119.08588	2.2
119.54486	0.4
121.10173	2.6
121.61937	0.4
125.00025	2.5
125.09646	0.7
127.03936	1.3
129.07031	0.9
131.08595	1.3
133.10143	1.4
135.11700	0.8
145.10165	0.8
147.08078	0.5
147.11633	1.9
149.09637	1.8
157.10135	1.0
159.08028	0.5
159.11768	0.5
175.11220	1.1
184.07350	14.4
185.04262	0.8
185.07733	1.8
193.12282	1.7
194.88103	0.4
201.03719	0.6
203.05347	0.9
225.14929	0.7
227.12773	0.4
241.14206	0.5
243.08455	3.6
267.16129	0.7
283.15182	4.1
301.08734	0.4
312.13181	0.4
333.20398	2.1
339.17728	0.9
381.19473	0.4
389.22977	0.6
407.92499	0.4
413.17651	0.6
439.19366	1.2
439.76178	0.5
453.21124	1.1
469.20551	1.1
498.66461	0.5
501.23096	14.0
533.19513	0.5
551.28394	8.3
551.36481	0.7
573.24866	0.5
641.31165	0.7
713.37378	0.6
721.37653	2.8
811.44501	100.0
812.44800	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	806.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	26.5
57.07076	3.8
61.02926	2.5
65.03933	2.7
67.05508	77.8
67.42354	1.7
69.03434	12.8
69.07074	37.8
69.63264	14.2
71.04990	9.8
73.02921	3.7
79.05498	61.3
81.03423	100.0
81.07059	76.9
83.04990	18.2
83.08622	39.8
83.82941	2.0
85.02895	9.1
85.06532	6.4
86.09677	4.8
91.04004	2.4
91.05486	59.5
93.07053	63.7
95.04971	44.1
95.08606	35.1
97.02898	6.8
97.06532	15.8
97.10173	24.8
99.08085	5.3
105.04515	2.2
105.07040	54.1
105.07699	4.4
107.04960	19.3
107.08602	47.1
109.06544	15.7
109.10165	27.0
111.04444	5.3
111.08089	14.8
115.05469	4.4
117.07022	20.2
119.08592	36.4
121.06506	11.6
121.10142	23.7
123.04415	2.9
123.08063	11.6
123.11694	4.4
125.09624	19.4
127.03866	4.2
128.06209	4.6
129.07001	17.0
131.08568	29.9
133.06512	7.0
133.10136	28.5
135.08057	9.3
135.11688	17.5
137.05887	2.3
137.09625	7.1
142.07811	5.3
143.08556	12.2
145.06461	6.7
145.10138	20.7
147.08064	6.3
147.11678	25.5
149.09622	17.5
149.13254	8.4
151.11192	4.9
153.09164	4.2
155.08524	4.8
157.10139	18.4
159.08038	4.8
159.11707	16.6
161.09644	4.9
161.13164	4.6
163.11188	13.2
165.12778	2.2
167.08406	2.3
169.10141	9.2
170.60860	2.2
171.10172	2.5
171.11708	5.1
173.09570	4.8
173.11783	4.7
173.13242	5.0
175.11189	13.5
177.12769	5.1
179.14383	2.5
181.10117	3.3
181.12206	3.1
183.11702	5.6
184.07365	8.6
185.13246	3.5
187.11217	2.3
189.11241	9.0
193.12256	29.7
195.13817	2.6
199.11240	2.3
223.13086	2.4
227.12804	21.3
229.14339	6.1
235.06725	2.3
239.17752	3.5
249.14912	3.8
253.58307	2.1
255.15840	12.1
257.19061	5.5
267.15933	72.7
269.17459	16.5
273.18506	4.2
275.20093	24.9
285.17044	3.9
291.19614	9.0
292.54709	2.3
299.19733	2.3
320.76614	2.4
349.23761	22.8
367.24689	2.9
369.24329	4.5
387.25500	2.8
421.25974	6.3
437.25082	5.1
443.27728	8.3
447.27481	26.0
449.30911	3.8
456.53262	2.6
461.29050	75.9
462.29562	3.1
493.31589	9.2
501.32166	5.1
519.32886	3.2
523.33923	4.8
541.35223	66.8
559.36395	31.5
569.80243	2.3
573.37408	2.9
587.32355	2.7
591.38898	3.3
593.29572	2.5
667.38391	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	806.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	19.9
57.07067	3.5
59.04999	10.3
61.02927	4.0
65.03948	4.8
67.05506	95.9
69.03432	10.6
69.06729	2.8
69.07068	31.5
69.90236	3.4
69.90635	5.5
71.01339	2.7
71.05000	13.6
71.08615	4.2
79.05494	72.9
81.03420	100.0
81.07056	85.6
83.04980	19.6
83.08614	31.6
85.02908	7.5
85.06536	6.0
86.09706	3.5
87.04451	8.8
91.05484	78.3
93.07044	70.4
95.04971	38.3
95.08604	43.2
97.02890	8.0
97.06520	13.4
97.10168	18.1
99.04515	2.4
99.08096	7.6
101.06044	2.3
103.05499	2.9
105.07036	61.9
107.04952	14.0
107.08597	39.4
109.02860	2.6
109.06533	10.2
109.10161	37.0
110.10470	2.1
111.04455	4.6
111.08096	11.5
111.35899	2.4
115.05461	6.4
117.07005	26.2
119.08582	56.5
120.08866	1.9
120.31229	1.8
121.06517	11.4
121.10140	34.2
123.04416	2.9
123.08055	8.4
123.08884	1.8
123.11705	4.8
124.99973	2.4
125.09646	14.0
127.03949	4.8
128.06200	5.5
129.07014	24.6
130.07695	2.6
131.08575	45.1
133.06499	7.1
133.10135	32.2
135.08052	6.5
135.11667	14.1
137.09590	6.7
139.11201	2.9
141.07024	4.4
142.07782	2.8
143.08578	12.9
145.06445	2.5
145.10121	27.2
147.08040	6.9
147.11681	30.7
149.09608	18.1
149.13251	7.2
151.11252	3.1
155.08534	5.7
155.10672	2.2
157.10130	19.6
159.11713	20.2
161.09586	3.9
161.13208	11.2
163.11168	9.8
165.12744	2.3
167.08546	2.5
168.09311	2.3
169.10120	5.9
171.11703	12.1
173.09608	3.1
173.11748	6.3
173.13278	10.1
175.11220	10.7
175.14842	2.5
177.12738	4.3
181.10066	1.8
183.11720	6.1
184.07356	8.9
185.13271	8.0
187.11218	2.6
189.11252	6.7
193.12262	29.3
195.11821	3.2
195.13710	3.6
197.13329	5.7
199.14807	5.4
207.11720	4.3
211.13271	12.0
215.14354	2.8
217.12276	2.5
217.15860	4.6
221.13373	2.5
227.12743	12.7
229.14331	14.3
241.19556	2.7
249.14914	2.4
259.20529	14.0
267.15921	58.0
269.17474	13.7
273.18448	3.0
275.20065	15.2
285.16818	3.8
293.21155	9.8
299.23557	2.9
333.24200	8.0
341.24759	2.3
349.23981	9.3
351.23090	4.5
352.15024	2.1
367.24628	4.9
369.24084	6.7
387.25281	3.5
403.24484	2.4
421.25842	7.6
433.31195	5.0
435.27295	4.4
439.26828	3.5
443.28055	4.8
449.29602	2.6
451.32169	4.0
459.27481	3.4
461.29062	24.8
493.31284	8.3
517.34406	2.6
525.35889	25.6
541.35193	13.3
543.36798	56.0
557.38367	4.9
559.36139	11.3
575.39545	9.9
609.35834	6.5
779.48236	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.7
57.03433	1.1
61.02909	0.9
67.05499	1.6
69.03426	2.4
69.07069	1.1
69.87923	2.9
70.06591	0.9
72.97817	0.6
77.39875	0.6
79.05473	1.9
80.05035	0.6
81.03413	2.2
81.07049	1.5
82.06534	0.6
83.04987	1.0
84.08179	0.7
85.02907	5.8
89.03941	0.6
91.05479	1.4
93.07050	2.2
94.06592	3.9
95.07356	2.3
95.08637	0.9
96.08127	5.2
97.02895	2.1
97.06550	1.5
98.20865	1.0
103.91006	0.7
105.07083	0.6
106.06581	0.7
108.04491	1.9
108.08115	8.7
109.10139	1.1
110.09692	6.4
116.05012	2.5
120.04487	3.7
120.08107	5.8
122.06031	5.2
122.09682	0.8
122.97587	0.6
124.07583	4.9
127.03914	0.9
134.06038	2.8
136.07576	8.7
138.09134	8.5
144.04414	3.5
146.06006	5.7
148.07619	4.3
150.09186	1.3
152.07085	2.2
160.03926	3.4
162.05519	4.1
164.07100	2.2
166.08644	16.0
167.07086	0.7
172.03937	25.7
172.07646	1.1
174.05573	1.7
176.07132	3.0
176.71391	0.6
182.09717	1.1
183.09183	0.8
184.07341	1.2
184.09911	0.8
186.05522	0.9
190.04977	17.1
196.09904	0.8
197.07109	0.9
197.10815	1.9
199.08633	1.5
199.12369	2.7
204.06569	38.7
209.10678	1.8
210.09344	1.6
210.11214	0.8
211.08730	2.6
212.09511	1.8
213.10350	1.3
222.49614	0.7
223.12360	1.0
224.09450	0.8
225.10246	9.2
226.10928	0.9
227.11801	12.8
236.09531	1.6
237.02863	0.6
237.10243	2.6
238.11038	1.5
239.11827	3.5
241.09799	1.2
241.13452	1.3
245.13004	0.9
249.10265	1.7
251.08499	0.7
251.11868	2.7
252.08867	0.7
253.09760	5.8
255.11261	1.8
257.12997	1.3
263.08728	0.6
263.11902	0.7
264.08813	3.1
265.09790	1.5
266.10468	1.0
267.11353	2.3
269.09952	0.8
269.12869	14.5
269.15579	1.0
271.10782	10.6
273.12405	2.3
277.09869	2.1
279.11224	3.7
281.09348	1.0
281.12836	1.6
283.10748	5.5
284.11572	4.2
285.12427	4.9
286.13074	0.8
287.13913	14.2
289.13437	0.7
293.13037	0.8
294.10349	0.6
295.10812	1.1
297.12289	9.8
299.13953	3.8
300.14764	0.8
301.12677	0.7
305.09341	0.9
306.16153	0.6
307.10736	1.4
309.12421	1.3
311.14212	0.7
312.15018	1.7
313.12573	0.7
314.13000	1.7
315.13736	1.8
316.11011	0.7
316.14557	1.9
321.08835	0.8
321.12347	1.0
323.10245	6.4
325.11807	18.2
326.16690	0.8
327.13528	2.3
327.17276	1.0
328.10803	2.2
328.14517	1.9
328.35013	0.7
329.11652	0.8
329.15207	2.1
330.12604	0.9
330.16083	2.7
331.16901	1.5
334.09323	0.9
339.13770	1.2
341.11649	1.5
342.12466	6.8
342.15915	1.2
343.13077	6.2
344.13815	0.9
344.17682	1.3
352.14410	0.7
352.27203	0.7
353.12653	0.7
354.16266	1.6
355.13480	1.4
356.14087	3.9
357.14474	22.5
358.15503	6.0
359.16531	0.8
365.11511	1.0
367.13422	0.9
369.15286	0.8
370.11804	0.8
370.15656	4.9
371.16254	1.9
372.17352	1.3
378.18121	1.9
382.11755	3.5
383.12677	2.1
384.13199	4.6
385.14218	2.5
386.14877	2.2
386.19186	3.1
388.16885	0.9
390.18042	3.1
397.14774	0.8
398.14963	18.9
399.15784	30.0
400.16495	2.4
401.18127	0.7
402.18555	1.2
404.15973	7.5
404.20508	0.8
412.16547	2.6
414.18130	4.4
415.16302	0.9
416.16068	18.4
417.16486	0.8
418.17606	0.8
422.16635	1.5
428.15796	3.7
430.17517	3.9
440.15967	8.8
446.17172	8.6
458.17139	29.2
459.17435	0.8
469.15945	0.7
478.19623	3.2
487.17120	9.0
490.19772	9.8
505.17950	0.8
519.19696	1.4
541.24207	1.3
565.23816	0.7
569.24109	3.5
583.25922	1.2
593.24017	4.9
596.71899	0.8
611.25018	100.0
612.25366	3.5
620.22449	0.8
643.27679	22.6
644.27466	1.3
729.31122	1.0
745.30634	1.1
773.30286	28.9
774.31104	1.2
805.31433	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.6
79.82993	0.5
80.46410	0.4
85.02898	1.9
97.02860	1.4
98.21468	1.1
98.60635	0.5
107.14223	0.5
109.02916	0.7
117.57320	0.6
119.01958	0.5
120.95419	1.2
127.03907	1.1
128.23439	0.6
131.01987	0.7
132.01805	1.0
138.96429	0.7
143.01895	1.7
145.01744	0.5
145.03490	0.8
155.01869	1.4
156.97510	4.3
161.02982	1.3
173.02980	2.0
173.52989	0.7
174.98575	2.8
180.97476	14.4
182.03391	0.5
182.98972	0.7
185.03032	2.3
187.04591	0.5
188.13734	0.5
192.97583	0.5
194.99042	0.5
197.02965	1.0
198.98552	100.0
199.98694	1.7
203.03998	0.8
210.98541	3.8
213.00131	1.5
215.04147	0.9
216.99620	25.8
222.00096	1.9
222.98558	1.1
225.00087	1.2
227.03899	0.7
228.99617	9.2
229.07382	0.6
234.98521	3.4
240.99591	17.2
243.01094	0.9
243.12210	0.5
244.62846	0.5
245.05109	6.2
247.00769	1.1
252.99655	2.8
259.00659	5.9
264.99533	0.6
271.00659	1.0
277.01767	1.0
278.09067	0.5
282.02524	0.5
283.00644	10.3
284.06485	0.5
301.01721	23.8
302.01886	0.8
319.02646	4.4
333.05307	0.6
337.30258	0.5
365.09219	0.6
373.03891	1.5
373.49301	0.6
382.04642	1.6
463.06982	63.6
464.07404	2.3
481.07870	1.6
637.61279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.52768	0.2
61.02932	5.9
67.05182	0.5
67.05511	5.2
69.03439	3.9
69.07074	1.3
69.31646	2.1
71.01331	0.3
71.04995	0.8
73.02923	4.2
78.33382	0.2
79.05495	3.3
81.03423	1.8
81.07065	5.2
83.08630	0.7
83.74082	0.2
85.02913	5.5
85.03387	0.5
86.09695	0.6
87.04490	0.6
91.03965	3.9
91.05504	2.0
93.07048	4.4
94.67570	0.3
95.04992	0.4
95.08615	3.8
97.02900	4.8
97.06596	0.3
99.04472	1.0
101.02393	2.4
105.07030	1.2
107.08610	2.0
109.02884	0.7
109.10161	1.8
117.07059	0.5
119.08618	1.1
121.10157	2.1
123.11720	0.4
127.03909	1.6
131.08607	0.7
133.10161	0.7
135.11731	0.9
145.04967	0.4
145.10170	0.6
147.11763	0.4
149.13293	0.7
159.11739	0.4
161.13277	0.4
173.13374	0.3
184.07390	1.1
185.04247	0.8
203.05452	0.4
243.08423	1.9
261.22144	0.3
335.25967	0.9
519.29321	11.6
520.29987	0.4
539.58868	0.3
605.94666	0.3
617.47034	0.3
625.44733	0.3
797.51770	100.0
798.52100	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	804.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	1.0
57.03440	9.9
63.32043	0.8
65.03928	1.6
67.05508	28.2
69.03439	7.0
69.07070	21.9
69.45361	0.7
70.62331	1.9
70.62664	1.9
71.04974	2.6
74.49591	0.9
79.05074	1.4
79.05499	23.6
81.03422	61.8
81.06589	1.8
81.07056	26.2
83.04591	0.7
83.04997	6.9
83.08624	15.4
85.02899	1.6
85.06532	1.9
86.09692	1.7
87.04447	0.8
91.05482	23.2
93.07047	20.5
95.04970	22.7
95.08604	11.6
95.90788	0.8
97.02885	8.6
97.06536	4.5
97.10181	13.0
103.05403	0.9
105.07037	18.5
107.04964	9.8
107.08596	13.6
109.02904	1.1
109.06519	4.1
109.10148	11.8
111.04452	2.9
111.08075	6.8
115.05465	1.3
117.07024	7.1
119.04926	1.9
119.08585	16.2
121.06496	5.5
121.10155	9.7
123.04417	2.3
123.08054	4.4
123.11694	1.4
125.09612	10.2
128.06227	1.3
128.07080	1.5
129.07021	8.9
131.08583	11.8
133.06506	4.8
133.10123	8.1
134.07346	1.3
135.08083	4.4
135.11679	3.4
137.09608	2.6
142.07764	1.9
143.08603	4.4
145.06499	1.0
145.10126	7.7
147.08072	6.4
147.11690	8.7
149.09636	6.4
149.13292	1.5
151.11166	2.0
153.09061	1.2
157.10149	8.0
159.08037	1.6
159.11687	3.1
161.09612	3.8
163.11174	3.5
165.09100	2.0
171.11656	2.2
173.11697	1.4
175.09958	0.8
175.11241	6.9
177.12715	1.5
184.07341	2.9
189.11217	3.8
193.12265	13.7
194.50580	0.9
195.11801	1.3
195.13742	0.8
205.12274	2.4
211.13237	1.8
219.13776	3.9
223.13298	13.1
227.12706	7.9
229.14259	1.1
249.14865	4.4
253.14284	4.1
258.98590	0.9
259.13580	0.9
267.15921	71.9
273.18503	9.0
283.15414	3.6
285.16803	1.0
291.19553	72.2
292.19830	1.4
313.21594	2.4
347.22211	2.0
365.23227	47.4
385.23697	1.3
437.25473	1.7
445.25861	5.1
459.27542	6.0
463.26837	1.9
477.28497	4.4
483.30585	1.3
499.10406	1.0
539.33954	7.7
543.36353	1.3
557.34741	100.0
558.34772	2.9
575.35614	2.1
599.35437	1.0
607.34613	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
61.02933	4.3
66.86510	0.7
67.05506	4.1
69.03436	3.0
69.07082	2.0
70.83779	0.8
70.84103	1.3
71.05010	1.9
71.12735	0.7
73.02925	4.1
77.08212	0.7
79.05496	4.6
81.03426	4.7
81.07072	5.4
83.04959	1.0
83.08637	0.8
85.02916	5.2
86.09724	3.3
91.03964	2.0
91.05499	3.8
93.07051	4.6
95.04987	1.7
95.08639	1.4
97.02908	4.5
97.06545	3.0
99.04507	0.8
101.02396	2.1
105.07058	3.2
107.05002	1.3
107.08614	2.1
109.02913	1.0
109.10204	2.1
110.00555	0.7
113.06010	0.7
117.07063	1.4
119.08591	1.9
121.10169	1.5
125.00066	1.8
127.03941	1.8
131.08629	1.2
133.10173	1.7
145.10165	0.9
147.11668	0.9
153.01752	0.8
157.10132	1.0
163.11285	1.4
175.11261	0.7
184.07332	9.3
185.04300	1.1
185.07726	1.3
193.12276	1.3
193.83002	0.8
243.08531	2.2
349.19989	5.1
351.21631	1.0
374.51630	0.8
435.27441	1.1
436.27612	1.2
439.19394	1.0
467.19135	2.0
469.20541	7.1
567.27917	4.2
569.29602	2.0
697.34485	0.9
795.41473	100.0
796.41449	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	795.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.05009	0.7
60.08166	0.5
61.02936	4.0
63.67983	0.4
67.05515	3.1
69.03445	2.8
69.07067	1.2
69.09000	0.3
69.72221	0.4
70.33894	0.5
71.01370	0.5
71.04982	1.8
71.07361	0.4
73.02915	3.3
79.05500	4.3
81.03432	3.2
81.07054	4.5
83.04998	0.7
83.08632	0.8
85.02909	4.3
86.09704	2.2
87.10079	0.4
91.03954	2.3
91.05492	3.9
93.07046	5.0
95.04966	1.1
95.08624	2.3
95.72552	0.4
97.02906	4.0
97.06570	0.7
98.05394	0.4
98.98441	0.4
99.04464	0.9
101.02402	1.5
105.07021	3.2
107.08583	2.3
109.02851	0.5
109.06553	0.9
109.10180	1.1
111.04470	0.4
111.08118	0.3
117.07034	0.7
119.08578	3.0
121.10148	2.1
123.11727	0.6
124.99990	1.8
127.03937	1.6
129.05528	0.5
129.07034	0.9
131.08640	1.6
133.10106	2.1
135.11737	1.0
137.09639	0.5
145.10187	1.3
147.11743	1.5
149.09682	0.7
157.10173	1.0
159.11839	0.4
161.13333	0.6
173.13187	0.5
175.11186	0.6
184.07341	10.6
185.04280	0.9
185.07758	1.6
193.12302	1.0
200.22641	0.4
201.03856	0.4
203.03423	0.5
203.05206	0.4
212.98694	0.4
225.14775	0.5
229.29327	0.5
233.11446	0.4
243.08458	4.1
251.11229	0.4
259.20786	0.7
267.16086	0.9
283.15179	5.5
300.08405	0.4
300.33768	0.4
301.09064	1.2
315.10715	0.5
323.18155	0.5
339.17981	0.9
373.10950	0.4
381.19247	0.6
385.18295	0.5
394.20078	0.4
416.41434	0.4
457.20218	0.5
465.21048	1.2
469.20721	0.9
501.23141	10.8
529.22565	0.7
535.28888	9.3
573.25360	1.6
615.29785	0.6
629.31158	0.4
649.30121	0.8
657.34680	0.4
673.42828	0.5
697.38214	0.6
705.37781	0.7
795.45044	100.0
796.45532	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05515	15.6
57.03440	11.9
57.07077	2.8
61.02939	2.4
63.95066	0.5
65.03943	3.2
67.05508	64.7
69.03428	1.2
69.07072	16.5
70.78178	0.7
70.78495	0.6
71.04996	2.4
73.02911	1.1
75.12623	0.5
77.03912	0.8
79.05499	40.7
81.03435	1.3
81.07061	66.9
83.04987	1.6
83.08629	8.5
85.02912	3.1
85.06552	1.8
91.03960	1.2
91.05486	25.7
91.90642	0.5
93.07049	49.0
94.07325	0.5
95.04984	3.3
95.08612	54.2
97.02887	2.2
97.06533	3.0
97.10169	3.4
99.08096	1.5
105.04514	1.2
105.07038	19.4
107.08599	26.1
109.06547	1.3
109.10163	24.7
111.08101	1.1
111.11716	1.1
116.90718	0.5
117.07021	8.3
119.08586	18.2
121.10153	22.6
123.08051	1.2
123.11714	10.2
125.09622	1.2
129.06995	1.6
131.08580	13.3
133.10133	13.4
135.11703	15.6
137.09587	1.1
137.13261	3.0
139.11163	0.6
141.75288	0.5
143.08559	1.9
145.10129	10.9
147.11699	10.8
147.12804	0.9
149.09674	0.6
149.13275	8.8
151.11188	0.7
151.14783	0.9
153.12711	0.7
157.10123	1.6
159.11705	10.6
161.13263	8.1
163.14824	3.8
169.10226	0.6
171.11719	1.9
173.13278	7.5
175.14871	4.4
177.16302	0.9
179.14322	0.7
183.11716	0.9
185.13300	2.2
187.14842	4.1
189.16353	0.9
191.14389	0.7
197.35403	0.6
199.14818	1.8
201.16389	1.5
213.16388	0.8
215.17989	0.8
217.19553	0.8
231.21179	0.9
239.18100	0.7
241.19664	3.0
243.21147	5.5
248.31569	0.6
259.20602	6.8
261.22156	18.4
263.23749	2.3
267.19470	0.5
277.21753	1.2
299.23798	0.8
301.25256	0.6
315.23264	0.9
317.24756	3.2
333.24271	5.6
333.64182	0.5
335.25815	100.0
336.26297	1.9
337.27374	11.4
413.32605	0.5
489.36093	0.8
521.43427	1.6
529.38519	0.7
543.40253	0.7
595.47290	13.9
595.56879	0.7
613.38983	0.9
613.48370	14.0
655.97510	0.6
683.19324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
55.05273	1.4
55.05516	19.7
56.96573	1.1
57.03441	9.2
57.07062	1.6
59.04997	1.2
61.02913	1.4
65.03928	2.0
67.05510	35.1
68.08252	1.4
69.03407	3.1
69.07066	13.0
70.58549	1.1
70.78227	2.9
70.78787	1.1
71.04996	5.4
71.08624	1.4
72.57510	1.1
77.03898	1.2
79.05499	37.7
81.03424	37.0
81.07058	31.8
83.04977	3.8
83.08630	14.7
85.02930	1.9
85.06553	3.7
86.09694	3.8
88.07712	1.1
91.05484	41.5
93.07049	40.0
93.07645	2.2
95.04964	12.6
95.08610	24.4
97.02900	3.1
97.06534	3.5
97.10168	8.5
98.06859	1.3
99.08102	1.5
105.07032	35.0
105.07700	2.7
107.04964	5.2
107.08599	21.6
109.06531	4.3
109.10157	10.8
109.89507	1.2
111.04424	1.4
111.08100	4.6
115.05466	3.3
116.06257	1.4
117.07014	12.8
119.04964	1.2
119.08589	28.4
121.06509	3.7
121.10152	19.5
123.08075	3.5
123.11727	2.8
124.99979	3.0
125.09641	9.2
128.06274	1.5
129.07031	12.5
131.08582	19.2
133.06485	4.5
133.10126	23.9
135.08057	3.6
135.11696	9.6
137.09612	1.8
141.06976	3.4
142.07782	3.3
143.08569	10.0
145.10132	16.3
147.08044	2.7
147.11682	16.8
149.09598	2.9
149.13260	4.5
155.08577	5.6
157.10143	14.5
159.11714	13.1
161.09605	2.3
161.13286	8.6
163.11172	3.5
167.08574	2.5
169.10101	6.4
171.11699	10.0
173.09633	2.5
173.13220	9.6
175.11142	3.8
175.14857	4.1
177.12711	2.1
181.10141	3.5
183.11699	5.0
184.07370	10.7
185.09651	1.2
185.13286	6.4
187.14851	2.6
189.11186	3.9
189.12753	2.6
193.12212	6.4
195.11786	3.6
197.13261	5.3
199.14850	5.0
201.16431	1.5
209.13289	2.9
211.14868	2.2
213.12733	1.9
213.16426	1.6
217.15952	1.7
223.14925	3.2
227.12759	5.1
229.14214	1.7
237.16347	1.6
241.19585	5.9
259.20651	13.6
266.45728	1.4
267.15927	14.4
268.01297	1.1
271.20621	2.0
275.20163	2.3
299.23688	5.1
313.21814	1.3
317.74582	1.2
320.03070	1.1
325.21609	1.4
329.21359	1.5
333.20715	1.7
333.24280	10.5
357.24265	1.4
382.22821	1.2
407.23932	1.3
415.29794	3.2
421.25601	8.5
433.31091	8.8
435.27679	6.4
451.32156	9.2
469.33014	4.7
507.34662	5.9
517.35132	1.7
525.35785	50.1
543.36835	100.0
544.37048	4.1
557.38269	8.8
567.36322	1.7
575.39569	15.2
583.29767	1.5
633.37946	1.9
669.40424	1.9
687.40814	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.6
58.06627	0.4
58.91035	0.1
60.08169	5.6
67.05495	0.2
70.98484	0.2
71.07379	3.0
77.83663	0.2
86.09711	28.7
87.10053	0.2
98.98472	3.4
103.48415	0.1
104.10753	3.0
125.00014	18.9
133.41339	0.1
166.02615	0.2
184.07352	100.0
185.07698	1.0
186.07803	0.1
238.38364	0.1
254.07431	0.1
271.73312	0.1
319.00211	0.1
352.75049	0.1
361.96161	0.1
471.02448	0.1
496.33859	0.3
542.76196	0.1
690.47168	2.4
754.53113	0.3
772.54761	1.2
790.55896	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	2.7
55.05512	37.7
57.03436	17.8
57.07066	4.5
57.30361	1.4
59.05004	35.8
60.08154	5.2
61.02922	3.3
65.03933	3.5
67.05507	100.0
69.03422	5.4
69.07080	17.1
69.45701	1.6
71.01343	2.3
71.04997	14.4
71.07375	2.3
71.08638	2.8
71.54652	2.8
75.41467	1.8
79.05499	45.8
79.05959	2.6
81.03419	7.9
81.07057	57.4
83.04977	7.6
83.08627	12.1
85.02892	6.8
85.06536	3.3
86.09702	26.7
87.04471	46.9
89.06001	2.5
91.05483	23.2
93.07049	41.0
95.04963	3.8
95.08604	43.2
97.02893	5.5
97.06540	5.5
97.10172	15.0
98.98475	3.2
99.04466	17.6
104.10728	2.6
105.07045	20.0
107.04981	3.6
107.08593	23.7
109.06503	2.4
109.10165	50.8
111.04450	3.7
111.08086	2.3
113.06012	1.8
115.03884	2.5
117.07023	7.0
119.08585	14.8
121.10137	18.4
123.04411	2.0
123.11710	5.1
124.99999	18.3
125.09633	11.6
127.03829	2.5
129.05544	2.3
129.06990	1.9
131.08546	7.2
133.10118	10.2
135.11687	13.1
137.09616	4.9
145.10133	9.7
147.11676	6.5
149.09619	1.9
149.13283	7.2
155.10696	2.1
159.11723	4.6
161.09656	2.0
161.13286	4.0
163.11176	4.7
163.14825	4.1
173.04510	2.2
173.11751	15.2
173.13208	4.1
175.14851	3.6
182.92470	1.9
184.07343	74.4
187.14804	2.3
189.11024	1.6
191.10645	2.0
199.13293	9.2
209.11726	1.9
217.14322	2.4
223.13353	2.3
227.12759	8.7
229.14354	39.0
241.14319	3.9
243.21150	3.3
257.13687	3.3
259.20538	2.4
261.22153	13.4
267.15939	6.7
277.21735	2.5
315.18164	5.1
317.24609	2.4
335.25812	59.4
336.26105	2.3
363.25244	3.4
364.69482	1.8
477.35864	16.4
489.35751	44.2
543.36584	2.7
575.39160	2.5
610.44946	2.7
613.48077	2.8
631.49188	2.9
645.52954	2.1
790.55286	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	788.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	0.6
58.06620	0.5
59.07410	0.2
60.08168	5.6
67.05484	0.1
71.07381	3.7
75.75811	0.1
81.07082	0.2
86.09711	27.9
89.73427	0.1
98.98469	3.1
104.10748	3.1
125.00011	18.7
142.04652	0.1
149.51001	0.1
151.28093	0.1
166.02669	0.1
173.74934	0.1
184.07352	100.0
185.07695	0.5
496.34000	0.2
589.55743	0.2
690.47235	1.4
752.51306	0.2
770.53326	0.9
788.54315	4.5
789.55054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	19.2
55.05271	4.6
55.05513	40.8
57.03440	25.0
61.02927	9.2
62.82704	3.3
67.05508	100.0
69.03424	16.4
69.07077	57.3
71.01368	3.5
71.04982	12.4
73.02920	3.6
77.03962	4.1
79.05493	83.8
81.03429	56.7
81.07063	79.5
83.04989	29.0
83.08626	31.3
85.02908	26.4
85.06531	8.3
86.09718	17.8
91.05491	98.3
93.07055	66.9
94.93031	3.7
95.04974	39.4
95.08622	43.7
97.02887	11.4
97.06551	29.9
97.10160	14.6
104.10745	5.5
105.07043	74.0
107.04951	23.5
107.08602	40.1
109.02850	5.6
109.06517	9.1
109.10165	29.4
109.83990	3.5
111.04460	5.3
111.08071	16.1
117.07037	19.4
119.08575	54.9
121.06514	10.3
121.10161	22.9
123.08084	12.8
123.11715	5.7
124.99995	6.4
125.09621	14.6
127.03867	4.0
129.05470	12.1
129.07021	18.2
131.08580	31.0
133.06500	6.9
133.10133	45.5
135.08080	4.2
135.11676	20.5
137.09610	15.6
142.07756	4.6
143.07036	4.2
145.10123	26.8
147.08070	5.6
147.11726	23.4
149.09665	19.1
149.13284	6.7
151.11195	5.1
155.08687	3.7
157.08829	3.9
157.10097	18.9
159.11697	12.7
161.09549	6.5
161.13181	5.7
163.11182	10.4
169.10202	4.1
171.11713	7.8
173.11723	7.3
173.13248	8.4
175.11223	15.2
184.07367	43.3
189.11223	8.8
193.12224	38.3
197.13368	4.5
198.99529	3.9
211.13295	44.0
227.12761	12.8
229.14436	11.5
241.19519	4.7
253.14207	6.0
257.19016	7.2
259.20615	13.8
267.15884	27.4
268.30130	3.9
269.17291	7.3
275.20081	31.5
283.15381	8.9
285.16983	41.1
291.19470	5.3
293.21237	4.0
299.14923	15.2
301.16412	21.4
333.24124	7.5
349.23657	36.1
359.53479	4.7
365.23074	5.1
439.26953	11.5
495.29623	4.7
541.35168	14.7
557.35181	5.9
559.36530	23.9
575.36243	19.1
589.37048	4.0
621.41425	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	787.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03445	2.3
61.02923	2.3
64.98765	0.5
67.05493	0.6
68.84666	0.5
69.03091	0.7
69.03432	11.1
69.07060	0.7
70.06581	1.0
70.27331	1.1
71.04977	1.4
73.02895	1.6
79.05449	0.5
81.03432	3.6
81.07056	1.2
83.04960	0.9
85.02910	18.0
87.04445	1.5
91.05477	7.8
93.06499	0.8
93.07053	11.3
95.04974	2.6
95.08602	0.8
97.02299	0.7
97.02898	6.5
97.06519	0.8
99.04420	1.2
101.02374	0.7
102.44928	0.5
103.04800	0.8
103.05470	9.6
105.04510	0.9
105.07004	0.8
109.02874	1.7
111.04407	0.7
117.03371	0.6
119.04936	0.7
121.06512	85.3
127.03920	2.7
134.03636	0.5
137.05951	0.6
141.03310	1.8
145.02866	0.5
145.04965	0.8
145.06482	0.6
147.04341	0.7
149.05965	0.7
150.15785	0.4
150.46396	0.5
163.03984	0.6
164.07072	6.0
172.65378	0.4
173.05968	0.9
174.06862	0.5
177.05437	1.3
184.07326	0.5
189.06998	0.6
191.06999	3.5
194.07297	1.3
201.05397	73.6
202.05853	0.9
205.06485	3.3
211.07497	0.7
219.07983	1.9
219.10027	0.7
220.05191	2.0
221.05959	0.8
222.06779	1.6
233.06006	2.0
233.75197	0.5
234.06708	3.4
235.07570	9.7
237.05463	1.0
237.09097	11.9
244.06062	3.2
247.07573	2.5
248.04750	2.8
248.08423	0.7
249.05392	2.7
250.06229	4.3
251.07179	0.6
252.07817	0.9
263.07062	18.4
264.07770	1.6
265.05182	1.4
265.08615	30.1
266.09143	1.6
267.06592	1.3
267.10446	0.6
276.03998	0.7
279.10098	0.8
280.07330	5.5
280.10406	0.9
282.08875	28.9
283.09323	0.7
291.06531	19.2
293.08157	0.5
295.09729	2.1
297.11240	25.9
298.11606	0.7
299.09299	0.6
306.08923	1.1
308.06818	3.1
313.10876	2.4
323.09146	63.3
324.09418	1.3
340.11786	0.9
341.10437	0.5
347.09390	0.6
364.11761	16.9
365.10281	1.4
369.09998	1.0
371.20566	0.6
405.13492	0.6
460.17599	50.3
461.17844	1.4
472.31842	1.1
472.81848	0.8
485.14505	5.2
488.17075	27.8
489.17139	1.1
513.13684	0.7
591.71515	0.5
618.62616	0.6
622.22864	16.0
625.25275	1.1
650.22357	100.0
651.22528	3.8
787.31055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
55.05509	3.6
57.07073	1.5
60.05649	0.5
61.02935	0.4
65.03944	0.8
67.05500	6.8
69.03427	0.7
69.07067	6.5
70.06594	0.8
71.04981	0.3
71.12373	0.8
72.08141	0.4
72.44561	0.3
79.05492	1.9
81.03431	1.0
81.07053	4.9
83.04993	0.8
83.08626	2.1
84.08135	0.8
85.02921	1.0
85.06537	1.1
86.09688	1.7
91.05479	6.1
93.07042	5.3
95.04991	0.8
95.08608	17.4
97.02897	4.4
97.06524	0.5
103.05456	0.5
105.07029	10.4
107.08597	4.8
109.06535	0.4
109.10157	20.5
111.04465	0.5
111.08073	0.4
117.03381	1.3
117.07010	1.2
119.08582	40.8
120.08082	0.4
120.09469	0.4
121.10153	3.2
123.08068	0.8
123.11710	1.1
129.06990	0.7
129.10268	0.4
131.08569	1.5
132.09373	0.4
133.10129	48.4
134.10806	0.5
135.04393	0.4
135.11685	7.3
136.07526	0.9
137.09621	8.1
145.02856	2.7
145.10121	3.6
146.10893	0.4
147.11684	10.4
149.13280	3.1
151.14813	3.4
157.06560	0.6
159.11728	0.5
160.12495	1.9
163.03963	0.5
167.03429	2.5
173.13268	0.8
175.14822	100.0
176.15167	1.4
177.05472	7.2
184.07372	1.3
189.09142	0.4
193.15884	25.4
194.16153	0.4
199.07512	0.7
226.11858	0.4
245.08153	0.5
271.89481	0.4
291.08551	3.0
309.09680	0.5
338.89355	0.3
376.94901	0.4
409.19907	0.4
491.01660	0.4
535.21796	0.4
545.38385	0.4
549.43127	0.3
557.14734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05503	1.2
55.24957	0.3
57.03442	1.6
61.02925	5.2
65.03953	0.3
66.11454	0.3
67.05503	3.9
69.03429	3.6
69.07059	1.0
70.98262	0.4
70.98600	0.6
71.04993	1.1
73.02915	4.0
76.30351	0.3
79.05493	3.4
81.03413	2.8
81.07057	5.6
83.05002	0.5
83.08617	0.7
85.02901	4.8
85.06549	0.4
86.09712	1.7
87.04446	0.4
91.03947	3.4
91.05472	2.3
93.07042	3.7
95.04995	1.1
95.08617	3.2
97.02891	4.3
97.10159	0.3
99.04464	1.0
101.02365	1.7
103.03941	0.5
105.06426	0.4
105.07058	1.3
107.08594	2.2
109.02895	0.7
109.10145	1.6
111.08094	0.4
119.08614	0.9
121.10140	1.9
123.11761	0.4
125.00005	1.0
127.03940	1.9
129.06995	0.5
131.08598	0.9
133.10161	1.0
135.11745	0.4
145.04994	0.4
145.10170	0.5
147.11751	0.7
149.09634	0.9
149.13303	0.5
157.10046	0.8
159.11720	0.3
161.13330	0.3
173.13432	0.3
184.07318	5.3
185.04170	0.4
185.07716	0.5
193.12187	0.6
200.57065	0.3
203.05235	0.3
206.51219	0.3
243.08389	2.8
267.16028	0.5
283.15186	5.8
290.96619	0.3
329.98453	0.3
335.25854	0.7
339.17844	0.5
342.48972	0.3
415.66367	0.3
469.19583	0.4
501.23056	6.9
519.29272	8.7
671.13116	0.3
779.45496	100.0
780.45874	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	779.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.96572	0.5
57.03440	1.6
61.02921	2.9
67.05500	3.5
69.03431	3.4
69.07077	1.9
71.05000	0.8
71.53382	0.6
73.02929	2.9
79.05507	3.3
81.03434	3.6
81.07065	4.4
83.04987	1.6
83.08629	1.1
85.02912	5.1
86.09708	3.2
87.10107	0.6
91.03979	2.2
91.05493	3.5
93.07048	3.4
95.04974	2.2
95.08645	1.7
96.53522	0.4
97.02886	3.0
97.06509	0.9
99.04469	0.8
101.02393	1.1
103.03983	0.6
104.10725	0.5
105.07059	2.1
106.36443	0.4
107.04968	1.0
107.08645	1.2
109.06519	0.9
109.10186	1.0
111.04512	0.6
111.08131	0.6
119.08610	1.7
121.10185	0.9
123.11772	0.5
125.00022	1.8
127.03949	1.6
129.07025	0.7
131.08603	1.1
133.10158	1.4
145.04993	0.7
147.11734	0.8
149.09763	0.4
157.10168	0.7
159.11725	0.7
168.52684	0.6
175.11253	0.7
184.07353	10.1
185.07784	1.3
193.12300	1.5
203.05426	0.6
243.08405	2.6
251.12549	0.9
271.51617	0.5
303.19583	0.5
307.15192	0.7
333.20551	2.5
439.18991	0.7
469.20453	8.7
551.27954	3.5
561.48962	0.5
660.29236	0.6
681.34570	0.8
769.88599	0.5
779.41895	100.0
780.42236	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	778.5382
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05509	0.2
56.05040	0.6
57.48087	0.1
58.06626	0.6
59.07380	0.2
60.08169	5.8
61.19352	0.1
65.50713	0.1
67.05496	0.2
68.95029	0.1
69.07051	0.1
70.06596	0.2
71.07378	3.6
71.15171	0.1
79.05484	0.1
81.07038	0.1
86.09711	29.5
87.10027	0.1
93.07042	0.2
95.08625	0.1
98.98472	3.2
104.10748	1.8
105.07104	0.1
107.08605	0.1
107.72747	0.1
116.07071	0.1
121.10178	0.1
125.00013	20.3
143.01099	0.1
163.01736	0.1
166.02678	0.2
184.07352	100.0
185.07686	0.5
195.35979	0.1
261.68958	0.1
518.32678	0.2
645.95026	0.1
719.47015	0.1
778.53918	2.9
779.54028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.1
56.96571	10.1
57.03414	1.5
67.05492	2.2
68.39507	1.2
69.07055	1.7
70.06590	1.6
71.54263	1.6
73.25639	1.3
79.05481	4.8
81.03400	3.5
81.07063	6.4
83.08630	1.2
84.96043	22.1
85.02907	4.1
86.09685	1.9
91.05526	2.6
93.07032	2.6
95.08583	1.6
97.02902	1.6
97.06512	1.8
97.96793	2.2
98.97590	35.5
102.66490	1.4
102.97065	2.1
105.07011	2.2
107.08590	3.2
109.10138	2.5
110.97562	9.9
112.99136	1.5
116.98634	13.8
121.10147	1.3
128.98625	7.8
131.00165	3.4
134.99648	3.4
135.11644	2.5
140.00272	1.2
140.98605	1.9
143.00165	2.8
146.99663	2.8
149.01297	1.3
152.00360	1.6
153.01816	5.2
158.99628	3.9
161.01201	1.6
163.03926	1.9
170.99654	3.5
177.00661	3.0
184.07187	1.3
193.12196	1.7
201.00752	2.4
219.01784	17.4
233.08562	3.8
237.02832	21.1
238.05093	1.6
251.09563	13.6
269.10620	5.0
275.09268	1.4
283.12201	2.0
293.10577	6.1
307.12244	6.0
311.11685	2.2
325.13229	16.5
337.13358	3.4
343.14380	8.0
348.14798	2.0
353.12503	2.2
355.14297	1.6
367.14279	4.0
413.17651	1.3
427.16440	65.2
428.16519	1.8
445.17517	6.9
469.17456	100.0
470.17743	2.8
487.18567	3.2
495.16281	3.5
507.86240	1.4
513.16571	10.2
521.01807	1.3
531.17499	1.6
549.11566	1.4
569.20367	1.8
585.29120	5.9
675.30640	6.7
779.37268	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	777.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
55.05511	1.0
56.96564	0.6
57.03425	1.7
59.04989	1.0
61.02928	3.3
67.05502	5.0
69.03424	2.0
69.07064	1.3
70.79789	1.0
71.04980	1.9
73.02921	2.8
79.05499	1.6
81.03417	2.7
81.07064	2.9
83.04998	0.9
83.08613	1.6
85.00344	0.4
85.02907	5.4
85.06531	0.5
86.09689	0.8
87.04474	0.5
91.03947	2.2
91.05498	2.6
93.07068	1.4
95.04957	1.1
95.08607	1.6
97.02894	4.2
97.06520	1.3
99.04480	1.1
101.02388	1.3
103.03964	0.5
105.07039	1.5
107.08593	1.2
109.02859	0.7
109.10155	5.1
111.04405	0.7
111.08095	0.6
119.08589	1.7
119.19254	0.4
121.10149	2.0
125.09603	0.5
127.03892	1.4
131.08611	0.7
133.10159	1.3
135.07983	0.5
137.09616	0.6
145.10208	0.6
145.32581	0.5
147.11664	1.1
149.09650	1.3
154.69698	0.4
154.89815	0.4
155.10742	0.6
157.10123	1.1
171.08549	0.4
173.11754	2.0
175.11214	0.8
184.07394	1.5
193.12321	1.7
195.09987	0.8
225.14859	0.6
229.14392	1.3
243.08495	2.0
254.28096	0.4
267.16080	0.8
283.15231	4.7
301.09213	0.5
339.05313	0.4
339.17926	0.9
413.17874	13.1
501.23102	14.0
502.23196	0.5
511.28534	0.8
673.34070	100.0
674.34601	3.7
759.37689	0.8
777.39124	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	777.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91269	0.4
55.05515	2.5
57.02576	0.5
57.03434	1.4
60.08156	1.2
61.02930	4.7
67.05508	4.4
69.03431	3.4
69.07075	2.2
69.71961	2.4
69.72387	0.8
71.01347	0.7
71.05000	1.1
73.02921	4.0
79.05490	3.4
81.03442	3.4
81.07053	4.0
83.04991	1.7
83.08633	1.6
85.02906	5.6
86.09720	2.7
87.04484	0.6
87.10057	0.5
89.61334	0.5
91.03951	2.8
91.05470	3.6
93.07037	3.4
95.04975	1.3
95.08624	1.9
97.02892	3.7
97.06564	1.0
97.10162	1.0
98.20850	0.9
98.98444	0.8
99.04486	1.0
101.02400	2.3
101.16566	0.6
105.07014	2.3
107.04947	0.8
107.08578	2.6
109.02872	0.9
109.10165	1.2
111.08067	0.6
117.07038	1.1
119.08579	2.5
121.10172	1.6
123.08061	0.8
125.00023	2.5
125.09642	0.7
127.03954	1.1
129.07039	0.8
131.08553	1.0
133.10152	0.8
135.11667	1.0
145.10149	1.3
147.11728	1.0
149.09601	0.6
163.11212	1.2
182.83644	0.5
184.07326	11.4
184.08771	0.7
185.07709	0.9
193.12248	0.8
203.05428	0.6
243.08403	3.3
283.15656	0.5
305.13501	0.6
308.77176	0.5
331.18924	0.6
333.20410	1.7
453.20911	0.8
467.18851	6.2
469.20447	3.6
549.26776	1.0
551.28369	3.1
620.25842	0.5
673.16547	0.5
679.33899	0.6
777.40302	100.0
778.40558	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	777.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05404	0.9
55.05643	0.6
56.96478	0.5
57.03318	1.1
57.03608	0.6
58.91164	0.4
59.04910	0.6
59.05167	0.5
61.02787	2.2
61.03133	1.0
67.05361	4.4
67.05765	1.6
69.03277	1.8
69.06948	0.5
71.04841	1.3
71.54423	0.5
73.02760	2.0
73.03204	0.7
74.33604	0.4
77.57530	0.4
79.05329	1.9
79.05831	0.8
81.03260	2.0
81.06901	2.3
83.04838	0.7
83.08463	1.2
85.02734	3.9
85.03300	0.9
85.06418	0.4
86.09585	0.8
87.04346	0.6
88.81548	0.3
91.03781	2.2
91.05309	2.0
91.11729	0.4
93.06875	1.3
95.04842	0.7
95.08485	1.0
97.02709	3.5
97.06376	1.2
99.04313	1.0
101.02219	1.1
101.02818	0.5
103.03820	0.7
105.06851	1.9
107.08409	1.3
109.02700	1.2
109.06363	0.5
109.09969	5.2
109.10765	0.6
111.04276	0.8
111.07942	0.5
115.03731	0.6
119.08391	1.5
121.09938	1.5
127.03694	1.1
129.06796	0.8
131.08385	0.9
133.09937	1.2
140.36957	0.4
145.09935	0.5
147.11516	1.1
149.09380	1.8
155.10477	0.7
157.09982	0.7
163.11076	0.6
173.11501	2.0
175.11060	1.0
184.07298	2.0
185.03952	0.4
193.12009	1.4
195.09764	0.7
197.15297	0.4
229.14154	1.2
243.08293	2.4
250.68416	0.5
267.08850	0.5
267.15714	1.4
283.15207	4.6
285.09982	0.4
286.61557	0.4
339.17719	1.0
413.12350	0.9
413.17825	15.4
476.34433	0.7
501.23129	15.7
511.28946	0.8
517.22424	0.6
673.34094	100.0
674.34479	3.5
731.38580	0.8
759.38141	1.2
777.38806	19.6
778.39612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.96565	1.3
57.03437	0.6
60.16680	0.6
61.02922	0.6
62.59541	0.5
67.05515	1.2
69.03425	1.2
70.06606	0.5
70.47816	1.5
71.04980	0.5
73.02929	0.6
79.05484	1.3
81.03409	0.9
81.07060	1.4
83.04989	0.9
83.13663	0.6
85.02925	2.4
86.09713	0.7
91.05485	1.3
93.07046	1.0
95.04984	0.8
95.08614	0.8
97.02881	0.8
97.06534	0.6
107.08615	1.0
114.39758	0.5
119.08621	0.6
121.10175	0.8
131.00206	0.9
131.08609	0.7
152.42584	0.5
154.93428	0.6
177.12804	0.6
184.07410	1.2
249.08029	0.8
260.21075	0.6
267.09018	5.1
285.10205	3.6
293.05569	0.8
298.58847	0.6
349.52768	0.6
467.16074	0.7
485.17123	2.1
530.61816	0.6
619.67303	0.7
673.34253	1.1
677.29156	0.9
699.36304	0.9
777.36768	100.0
778.37524	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	776.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	5.0
55.05514	40.7
57.03439	16.3
57.07076	6.4
59.04989	4.7
61.02912	3.5
65.03933	2.3
67.05508	100.0
69.03429	3.8
69.07079	21.5
70.60712	3.4
70.61043	2.1
71.05011	3.2
79.05496	56.1
81.03412	6.7
81.07059	68.2
83.04967	6.2
83.08627	18.7
85.02912	14.6
85.06523	1.8
86.09708	4.8
87.04449	6.2
91.05481	32.8
93.07050	47.7
95.04934	6.1
95.08611	42.8
97.02863	4.2
97.06519	4.9
97.10169	26.3
105.07042	19.4
107.04956	2.6
107.08604	32.3
109.06500	3.8
109.10165	49.9
111.04457	1.8
111.08083	4.9
117.07016	7.8
119.08582	19.2
121.10156	19.1
123.08045	3.0
123.11693	4.1
125.09632	24.7
131.08543	9.8
133.10129	12.9
135.11726	14.8
137.09552	1.9
139.11270	2.7
143.08641	2.0
143.10687	2.8
145.10101	11.9
147.11691	6.3
149.09639	2.4
149.13266	6.4
153.12804	3.0
155.10692	3.7
157.10153	2.8
159.11696	5.7
161.13214	4.3
163.11180	7.9
163.14870	2.9
173.11739	13.4
173.13216	3.9
184.07352	12.1
185.13246	2.6
189.12810	2.4
193.12221	3.8
199.13319	7.8
209.11676	2.7
217.14290	2.6
227.12724	7.6
229.14365	43.7
243.21167	3.9
257.13797	2.9
261.22153	16.5
267.15961	4.6
277.21878	2.1
283.15540	3.1
301.16516	20.5
319.17575	4.4
335.25821	75.2
345.23813	2.4
363.25107	3.1
469.33109	2.7
477.35800	11.8
489.35971	14.6
543.36548	5.2
561.38043	9.6
579.38715	7.3
614.28088	2.0
723.43073	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.05515	28.8
57.03443	11.9
57.07071	1.7
59.05006	1.9
60.08158	6.8
61.02914	2.9
65.03925	1.7
67.05509	58.5
69.03436	2.6
69.07072	14.6
71.05001	2.7
71.07359	3.4
71.54797	1.7
73.02936	1.5
78.42680	1.4
79.05495	31.0
81.03413	6.2
81.07058	39.5
83.04990	4.8
83.08625	9.8
85.02916	10.6
85.06532	1.4
86.09708	24.4
87.04462	3.7
91.05487	18.9
93.07048	29.6
95.04987	3.8
95.08610	29.1
97.02899	3.0
97.06518	4.4
97.10163	13.9
98.98473	2.7
104.10749	1.6
105.07025	9.8
107.08603	17.0
109.06508	2.8
109.10158	30.9
111.04440	1.8
111.08092	3.1
115.40030	1.3
117.07019	3.8
119.08591	11.7
121.10147	15.1
123.08119	2.1
123.11730	2.3
123.85609	1.1
124.04327	1.2
125.00009	21.8
125.09615	13.0
131.08537	6.7
133.10143	6.6
135.11702	7.8
137.09651	3.5
137.18829	1.2
139.11226	1.7
143.10675	1.4
145.10139	5.1
147.11714	3.3
149.13252	3.8
153.12723	1.4
155.08643	1.2
155.10622	3.0
157.10168	1.6
159.11699	3.8
161.13228	2.8
163.11195	5.7
163.14827	3.1
173.11749	11.3
173.13205	2.8
175.14836	1.9
181.12260	2.2
184.07350	100.0
185.13353	1.8
187.14781	1.3
189.11179	1.8
193.12238	1.7
199.13286	4.9
201.16425	1.7
209.11761	3.8
227.12804	4.9
229.14346	30.7
241.14282	1.4
243.21184	2.3
243.52499	1.4
254.51794	1.4
261.22195	7.9
262.53046	1.5
267.15784	2.4
283.15390	3.2
289.21555	2.5
301.16467	11.3
317.24765	1.4
319.17554	2.2
335.25821	48.4
336.26230	2.4
363.25949	1.4
459.34573	1.7
467.24518	1.3
477.35663	7.3
489.35559	9.4
543.36792	2.1
561.37659	5.4
579.38715	4.3
672.42596	5.9
776.45270	4.1
794.40857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05514	44.7
57.03440	16.2
59.04992	3.7
61.02926	2.5
65.01710	1.1
65.03938	3.0
67.05506	100.0
69.03430	3.6
69.07071	17.3
71.01353	1.7
71.04984	3.7
71.25199	2.1
73.02898	1.0
77.03916	1.2
79.05497	48.2
81.03423	6.9
81.07057	61.3
82.38002	1.1
83.04976	5.2
83.08624	18.4
85.02904	17.7
85.06544	4.9
86.09705	5.7
87.04470	4.9
91.05484	28.6
93.07047	43.9
94.59282	1.0
95.04983	5.3
95.08609	45.1
97.02895	5.2
97.06541	6.1
97.10176	23.0
99.08115	1.6
103.03919	1.7
105.04538	1.5
105.07043	16.6
107.04971	2.2
107.08588	27.3
109.06509	3.4
109.10159	56.7
111.04449	3.0
111.08093	3.9
117.07011	6.4
119.05984	1.2
119.08573	17.4
121.10155	23.7
123.08047	1.9
123.11732	5.4
125.00033	2.9
125.09646	18.4
127.03933	1.6
129.05473	1.5
129.07025	2.8
131.08595	11.3
133.10109	9.9
135.11707	14.3
137.09624	3.2
137.13232	1.7
139.11182	2.7
143.08571	1.9
143.10678	3.1
145.10146	10.3
145.94453	1.0
147.11690	6.8
149.09604	1.6
149.13257	6.3
153.12823	1.6
155.10699	3.7
157.10104	1.4
159.11681	7.3
161.13239	4.5
161.79091	1.4
163.11194	4.4
163.14877	2.6
171.11794	2.3
171.25745	1.2
173.11754	14.2
173.13280	4.4
175.14943	1.8
177.12749	1.5
179.14426	1.6
181.12250	1.4
184.07339	18.1
185.13300	1.9
187.14912	2.7
189.11224	1.3
193.12267	1.4
199.13304	10.2
199.14885	1.6
203.12851	1.9
209.11729	3.9
217.14384	3.0
227.12776	6.8
229.14349	52.4
232.84897	1.2
243.21095	5.7
245.13773	1.9
261.22119	16.3
267.15924	3.3
277.21771	1.6
283.15421	2.2
301.16473	17.4
317.24722	2.9
319.17368	1.3
327.23135	1.5
333.24408	1.5
335.25806	72.8
336.26089	2.2
363.25012	3.1
412.31177	1.2
459.34671	1.7
465.21085	2.0
469.33447	1.4
472.76495	1.3
477.35858	11.5
482.31451	1.2
487.34280	1.3
489.35782	19.7
525.35852	1.3
529.92676	1.1
543.36835	4.7
555.44135	1.3
561.37964	10.2
579.38770	3.4
690.35651	6.7
703.83282	1.4
727.54456	1.2
776.42633	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	774.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.1
56.05033	0.7
57.30777	0.1
58.06637	0.4
59.07403	0.1
60.08168	6.0
70.06585	0.2
70.68783	0.3
71.07378	3.2
81.07046	0.2
82.57349	0.1
86.09710	30.1
87.10038	0.2
93.07043	0.1
94.32567	0.1
95.08616	0.2
98.98474	3.1
104.10751	2.0
107.08604	0.2
108.09784	0.1
125.00012	20.0
135.45583	0.1
143.01086	0.2
166.02672	0.2
184.07350	100.0
185.07681	0.8
186.07840	0.1
232.95712	0.1
240.75391	0.1
418.43146	0.1
496.33978	0.2
623.12708	0.1
756.55389	7.1
757.54840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
55.05516	16.2
57.03442	20.5
57.07085	2.7
64.11244	1.1
64.71098	1.1
65.03926	2.7
67.05509	62.7
69.03447	1.8
69.07068	14.2
69.63840	4.4
69.64243	2.4
71.04997	4.5
79.05498	40.9
81.03424	86.0
81.07060	55.8
83.04994	6.4
83.08622	21.6
85.02886	1.4
85.06567	2.0
91.05489	30.0
93.07050	45.3
95.04980	29.2
95.08612	45.3
97.02885	2.7
97.06528	3.3
97.10155	9.5
98.21560	1.2
105.04523	1.7
105.07035	24.5
107.04324	1.2
107.04958	7.4
107.08602	26.8
107.64404	1.1
109.06519	3.9
109.10159	21.9
111.04421	1.8
111.08089	6.7
115.05404	1.3
117.07031	8.9
119.04938	1.3
119.08590	23.3
121.06538	3.6
121.10145	23.8
123.04443	1.9
123.08073	4.5
123.11700	6.4
125.09639	6.1
126.28210	1.1
128.06213	1.3
129.07013	11.1
131.08569	18.1
133.06487	2.8
133.10158	12.5
135.08049	1.7
135.11700	14.8
137.09605	3.8
137.13260	1.9
138.52319	1.3
142.07735	1.3
143.08589	2.8
145.10115	11.9
145.17036	1.3
146.45233	1.2
147.08069	3.9
147.11691	14.3
149.09637	5.8
149.13255	6.6
155.08517	1.5
157.10144	13.7
159.11674	8.6
161.13301	3.7
163.11151	3.3
163.14835	3.3
165.12827	1.9
171.11688	2.3
173.13286	7.2
175.11200	9.3
175.14853	1.7
177.12772	1.5
183.11748	1.5
186.70720	1.4
187.13312	1.4
187.14803	2.1
189.11198	3.0
193.12247	24.1
199.14795	1.3
211.13249	2.1
227.12691	7.7
243.21143	6.4
249.14909	2.2
261.22150	20.2
267.15927	100.0
279.23209	3.2
285.17038	2.2
301.14407	1.4
301.25266	6.3
309.16937	5.1
317.24658	4.0
333.16937	1.2
335.25827	89.6
336.26117	1.6
343.22849	1.2
360.20316	1.3
371.98727	1.3
403.24588	1.3
417.31863	1.3
421.25656	3.7
435.27194	2.8
435.32602	4.1
453.33777	7.2
471.09985	1.3
471.35339	3.1
509.35800	1.8
527.37347	75.4
528.37738	2.5
545.38403	56.9
546.38953	3.6
559.40302	2.9
569.38281	5.1
699.15936	1.6
768.25287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	14.1
55.05511	42.8
57.03444	23.6
61.02919	7.2
65.03941	4.5
67.05507	88.4
69.03439	15.1
69.06729	3.7
69.07074	43.8
69.28588	18.6
71.04978	10.1
73.02927	3.2
79.05495	81.2
80.92386	3.0
81.03421	93.4
81.07061	100.0
83.04986	31.0
83.08624	45.8
85.02911	33.2
85.06532	5.4
86.09708	8.6
91.05485	89.8
93.07047	73.8
95.04979	43.4
95.08610	42.2
96.58410	2.6
97.02872	10.5
97.06537	27.7
97.10168	22.9
98.21586	5.2
99.08068	4.7
103.05453	2.9
105.07037	75.3
107.04963	24.3
107.08599	52.8
109.02843	3.4
109.06516	11.1
109.10158	19.6
109.69885	2.4
111.04431	7.3
111.08073	14.8
113.06006	5.1
115.05431	6.0
117.07031	22.2
119.08589	50.2
120.12132	2.6
121.06498	8.2
121.10155	29.9
123.08062	7.3
123.11717	7.2
124.99919	3.7
125.09637	19.5
127.03887	6.0
127.07580	3.3
128.06262	3.5
129.05515	3.2
129.07039	20.4
131.08583	35.0
133.06543	3.6
133.10133	41.9
135.08054	8.2
135.11707	13.1
137.09653	3.8
142.07771	4.3
143.08549	5.2
143.85898	2.6
145.05022	2.7
145.10123	23.1
147.08090	6.3
147.11682	28.7
149.09636	27.0
149.13277	11.5
153.09169	3.0
157.10101	20.9
159.11703	16.0
161.13261	6.6
163.11185	12.8
165.12767	5.6
169.10127	5.2
171.10350	4.0
171.11716	8.9
173.04369	2.7
173.09592	2.7
173.13191	6.4
174.62654	2.6
175.11191	21.1
177.12793	4.9
179.14322	3.6
182.60725	2.5
183.11655	2.5
184.07317	21.9
185.13185	2.8
189.11235	6.3
193.12262	54.8
195.13805	6.1
211.13293	90.4
214.18065	3.4
222.59818	2.9
227.12744	23.0
229.14314	5.6
255.15979	7.8
257.18997	12.7
267.15985	37.2
269.17487	20.7
275.20126	53.0
285.16986	89.3
287.05280	3.5
293.21130	4.2
331.22681	5.8
349.23724	53.2
367.24625	3.6
419.24112	3.1
437.25732	3.9
439.27206	3.3
443.27896	4.7
447.27335	7.3
455.26468	4.4
461.28836	23.1
465.28403	17.0
479.23642	4.6
479.30099	60.5
513.35596	2.7
541.35413	30.9
559.36292	73.1
577.37140	10.7
599.30273	2.8
623.34015	3.6
774.36969	3.5
807.89691	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	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.5
55.05513	32.4
57.03439	25.3
57.07072	6.7
61.02924	9.7
61.53358	3.5
65.03957	7.2
67.05509	83.7
69.03428	17.1
69.07076	31.3
71.04994	14.3
71.53810	3.6
73.02910	5.6
79.05499	74.6
79.24494	3.2
81.03419	69.2
81.07059	88.5
83.04985	30.4
83.08624	35.4
85.02905	40.6
85.06514	4.9
86.09714	12.2
86.18835	3.5
91.03951	6.8
91.05486	100.0
93.07050	84.4
93.07644	4.8
95.04971	30.8
95.08620	42.6
95.09191	5.1
97.02896	11.2
97.06547	16.0
97.10176	10.6
99.08112	5.3
105.07040	85.4
107.04967	13.1
107.08607	38.3
109.06528	11.8
109.08154	3.2
109.10164	17.0
109.46180	3.1
111.08068	17.6
111.55751	3.5
115.05464	5.7
116.04742	3.8
117.07025	30.0
119.08591	68.0
121.06546	6.4
121.10155	32.6
123.08105	10.0
123.11676	6.3
124.99983	8.2
125.09666	6.7
127.03890	6.3
128.06227	3.5
129.05493	8.9
129.07008	27.2
131.08583	35.6
133.06464	5.0
133.10136	53.2
135.08063	6.7
135.11716	15.7
137.09657	8.5
142.07823	7.6
143.08553	12.0
145.10112	31.4
147.08092	3.5
147.11705	37.4
149.09627	13.0
149.13252	16.5
149.58167	3.2
151.11142	5.3
157.10129	24.0
159.11700	22.9
161.13252	16.9
163.11234	4.9
169.10132	4.7
171.11696	12.0
173.13286	10.5
175.11197	16.4
175.14853	10.1
177.12766	5.0
184.07362	27.8
185.13298	7.5
189.11128	4.1
189.12735	3.9
193.12254	60.1
195.13844	6.8
199.14897	5.4
211.13312	59.1
227.12769	6.2
238.35007	3.7
241.19426	17.1
246.85396	3.4
247.20633	4.4
257.19138	6.8
259.20599	42.2
267.15900	24.3
269.17529	13.4
275.20212	20.7
285.17001	52.8
293.21030	4.5
301.16547	12.6
315.23120	4.0
333.24307	35.8
349.23691	9.6
433.31143	4.9
461.29102	5.5
479.30048	25.8
525.35675	18.0
543.36902	29.9
559.36035	13.7
577.36865	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	773.2139
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01865	0.1
55.05491	0.1
57.03442	1.3
57.51738	0.1
59.04995	0.1
59.61704	0.1
61.02930	1.5
65.03912	0.1
68.99760	0.2
69.03430	0.5
69.68905	0.3
69.69318	0.2
71.01338	0.1
71.04996	8.4
71.16370	0.1
73.02911	0.6
75.04449	0.4
81.03380	0.4
83.04950	0.4
84.04466	0.1
85.02909	11.8
87.04442	0.3
91.03976	0.9
93.03403	0.2
95.04961	0.2
97.02899	0.9
98.20775	0.1
99.04417	0.1
103.03867	0.1
108.41456	0.1
109.02852	0.4
111.00810	0.6
111.04430	0.5
121.02860	0.8
123.04376	0.2
127.03921	0.6
129.05484	2.6
135.04366	0.1
137.02341	2.4
137.03397	0.1
139.03876	0.1
145.04945	0.2
147.06522	0.7
147.07504	0.1
147.55775	0.1
149.02356	0.4
153.01826	2.3
161.05933	0.2
163.03951	0.5
163.05997	0.1
165.01840	1.5
166.02643	0.2
173.05972	0.2
177.05498	0.1
182.45074	0.1
183.02945	0.7
187.03925	0.2
191.03447	0.1
195.02840	0.3
201.05516	0.9
205.04933	0.1
213.05440	0.1
219.06511	0.2
229.04964	3.0
237.02797	0.1
238.03487	0.1
247.06059	0.6
257.04459	2.4
274.04739	0.5
275.05438	0.2
283.58917	0.1
285.03989	1.1
302.04208	0.1
303.04996	100.0
304.05301	1.8
315.05176	0.1
345.06082	0.4
348.10629	0.1
369.06171	0.1
447.09390	0.2
449.10727	0.2
465.10312	26.1
466.10638	0.5
469.70590	0.1
587.22778	0.1
627.15808	0.3
653.91211	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	772.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.8
58.06589	0.6
58.54881	0.3
60.07887	0.4
60.08168	6.3
69.51600	0.5
69.52007	1.5
70.18169	0.3
71.07372	3.5
86.09708	34.6
98.98470	3.5
104.10739	2.6
121.57594	0.3
125.00008	20.8
127.73980	0.3
129.63158	0.3
143.01016	0.3
184.07344	100.0
185.07704	0.8
188.78731	0.3
227.60852	0.3
474.27917	0.4
518.80328	0.3
540.15771	0.3
617.23944	0.3
688.43921	0.4
717.17419	0.4
754.53436	0.7
772.41528	0.6
772.54852	9.8
773.54810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.7
57.07074	0.2
58.06612	0.5
59.07404	0.3
60.08168	5.8
62.53577	0.2
69.28228	1.6
71.07378	3.6
86.09712	32.1
98.20764	0.4
98.98470	3.8
100.38555	0.2
104.10747	2.6
125.00017	22.1
184.07352	100.0
185.07681	0.9
186.07681	0.3
194.36110	0.2
214.93700	0.3
215.21133	0.2
245.26501	0.2
251.40749	0.3
312.26941	0.3
349.27872	0.3
496.81555	0.3
628.51526	0.3
754.53888	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.213
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01860	0.2
55.05474	0.2
57.03443	1.3
61.02932	1.3
67.05474	0.3
68.99799	0.3
69.03436	0.9
69.91228	0.2
69.91624	0.4
71.01344	0.2
71.04996	7.2
71.35171	0.1
72.80357	0.1
73.02924	0.6
75.04444	0.4
79.05476	0.1
81.03384	0.3
83.04985	0.7
85.02908	10.6
85.06527	0.2
86.03234	0.2
87.04444	0.3
91.03963	0.8
93.03374	0.1
95.04934	0.2
95.08617	0.8
97.02374	0.1
97.02886	1.3
99.04425	0.3
107.08553	0.2
109.02842	0.4
111.00819	0.6
111.04427	0.4
113.05972	0.2
119.08559	0.1
121.02869	0.9
123.04393	0.1
123.08049	0.3
127.03893	0.8
127.42554	0.1
129.05484	2.5
135.11606	0.2
137.02341	2.1
145.04971	0.7
147.06493	0.8
149.02313	0.4
149.09554	0.3
153.01837	2.7
158.99612	0.1
161.05920	0.2
161.13277	0.1
163.03882	0.5
163.06038	0.4
165.01860	1.5
166.02563	0.2
173.05969	0.2
177.05475	0.2
183.02933	0.7
183.04279	0.2
187.03951	0.2
189.12712	0.2
195.02777	0.1
201.05455	1.2
207.13771	0.9
215.03175	0.2
217.56334	0.1
219.06610	0.2
229.04997	3.1
247.06041	0.5
247.30411	0.1
257.04468	2.5
274.04672	0.5
275.05429	0.4
285.03940	1.3
303.04990	100.0
304.05322	1.7
315.04791	0.3
327.04965	0.1
345.06125	0.6
369.06052	0.3
384.14130	0.1
407.18231	0.2
449.10779	0.7
465.10309	28.0
466.10544	0.6
627.16083	0.2
681.22107	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	772.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.9
55.05513	22.7
57.03438	14.3
57.07067	2.2
58.06596	1.6
59.04995	1.7
61.02926	4.4
65.03925	2.2
67.05508	50.6
67.83265	1.3
69.03436	7.0
69.07068	22.3
71.05000	7.5
71.30055	1.9
71.30376	1.7
73.02917	1.7
77.63941	1.4
79.05494	46.5
81.03419	22.6
81.07059	61.5
81.07539	3.4
83.01365	7.1
83.04990	19.6
83.08611	16.9
85.02905	10.4
85.06538	3.5
85.81766	1.6
86.06088	3.2
86.09713	2.4
87.64913	1.4
91.03922	1.8
91.05483	40.7
93.07048	51.5
95.04958	13.8
95.08611	27.5
96.04499	2.9
97.02891	6.1
97.06535	13.0
97.10184	6.1
99.04469	3.2
99.08121	2.1
105.07039	31.7
107.04961	12.7
107.08600	35.7
109.02943	1.9
109.06538	9.6
109.10163	11.4
111.04413	4.2
111.08089	4.6
113.05989	1.6
117.07027	16.5
119.08584	23.4
121.06515	9.0
121.10136	19.2
123.08076	9.3
123.11719	2.9
125.09624	5.5
127.03970	2.9
129.07007	5.4
130.07787	1.9
131.08574	14.5
133.06419	2.1
133.10144	21.9
135.08060	7.2
135.11699	20.7
137.09642	2.7
139.11198	1.5
143.08563	2.9
145.06381	1.7
145.10136	23.3
147.08061	3.7
147.11697	8.8
149.09677	7.7
149.13280	9.8
151.11169	3.9
153.12737	1.9
155.08575	3.0
157.10083	3.7
159.11729	8.9
161.13261	2.3
163.11194	23.1
167.70107	1.5
169.10216	1.6
171.11691	3.9
173.04451	2.7
173.09659	2.3
173.13210	3.5
175.11171	1.7
177.12720	3.2
179.14391	1.7
181.12225	3.3
183.11775	2.2
184.07356	7.5
191.10658	3.7
193.12242	5.2
195.13841	5.7
209.11723	6.6
211.13345	4.7
223.13239	2.6
227.12842	8.2
229.14391	2.5
229.19669	2.2
253.14319	5.4
255.15935	8.4
257.18994	3.7
267.15848	3.7
269.17456	26.2
273.18338	2.1
275.20065	15.4
283.15393	74.4
285.17010	5.0
287.05426	7.0
291.19516	8.0
299.15030	1.9
349.23795	12.8
365.23233	5.0
367.24658	1.9
413.21500	1.8
437.25415	2.8
445.25848	1.8
459.27866	2.0
463.26968	21.9
477.28506	100.0
478.28799	2.3
509.42062	1.6
557.34741	27.2
575.35638	17.0
620.64532	1.8
621.32141	2.6
772.48071	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	772.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	17.9
55.05513	54.5
57.03190	2.6
57.03441	25.6
57.07073	2.1
59.04992	5.2
61.02921	4.3
65.03943	6.8
67.05508	75.7
69.03424	17.4
69.07073	45.9
70.25544	5.8
71.01366	3.1
71.04990	9.6
73.02921	3.8
77.03947	1.9
78.37700	1.8
79.05494	79.6
81.03420	55.4
81.07059	91.0
83.01347	11.3
83.04984	27.4
83.08620	37.1
85.02908	24.4
85.06558	5.8
86.09736	1.9
91.03943	2.7
91.05483	72.7
93.07044	82.8
95.04970	26.1
95.08611	39.7
97.02892	17.1
97.06529	17.4
97.10167	20.9
99.04456	4.1
99.08067	5.0
103.05457	3.0
105.07030	58.3
107.04966	24.6
107.08601	50.2
109.02862	3.5
109.06519	17.6
109.10157	17.9
111.04446	7.5
111.08070	10.0
113.05972	2.4
113.09647	1.7
117.07027	23.6
117.64533	1.7
119.08581	44.0
121.06524	11.0
121.10135	25.0
123.08065	16.8
123.11707	3.6
125.06019	4.1
125.09628	17.4
127.03947	5.3
128.06239	2.6
129.07008	10.2
130.07771	1.9
131.08565	29.7
132.30400	1.8
133.06502	5.7
133.10141	26.3
134.07277	2.5
135.08061	9.1
135.11694	24.0
137.09607	4.8
141.06982	2.1
142.07828	2.3
143.08568	7.5
145.06482	3.0
145.10126	37.1
147.08087	10.5
147.11705	14.8
149.09595	15.9
149.13234	8.9
151.11183	2.8
153.09158	1.9
153.12766	3.4
154.07726	1.9
155.08582	3.4
157.10121	10.1
159.07979	2.7
159.11658	14.0
161.09659	4.3
161.13251	5.7
163.11183	37.7
165.09187	2.2
165.12761	2.6
169.10107	4.8
171.10254	1.9
171.11682	4.7
173.09657	4.8
173.13278	4.9
175.11208	8.1
177.12741	4.4
181.12225	6.2
183.11722	2.2
184.07367	5.6
185.13295	2.1
187.11263	2.7
187.14716	2.5
189.11279	6.6
191.10672	3.8
193.12239	18.9
195.13805	5.3
197.13268	1.8
205.12228	2.7
209.11783	7.2
211.13293	31.8
211.15047	3.1
223.13283	12.5
227.12772	28.9
229.19554	2.4
233.15497	2.0
239.18079	4.3
249.14871	3.1
255.15915	7.7
257.19028	7.5
267.15939	21.2
269.17493	21.4
273.18411	11.8
275.20099	38.2
283.15390	100.0
285.16986	36.6
291.19550	61.3
292.20056	2.6
293.21082	4.4
309.20544	2.0
331.22705	4.8
332.63904	1.8
347.22324	2.2
349.23724	35.3
365.23242	31.7
379.21176	3.5
413.21796	2.5
437.25113	2.6
445.25891	2.7
453.24667	7.7
461.29022	3.1
463.27011	20.1
477.28503	83.3
478.28964	2.3
517.31989	2.9
539.33643	7.8
557.34741	77.8
575.35822	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	772.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.8
55.05268	2.7
55.05512	32.2
56.22771	1.5
57.03443	22.3
59.05005	30.9
61.02912	2.5
65.03944	3.9
67.05506	84.0
69.03429	6.2
69.07067	12.2
70.06588	2.3
71.01337	2.2
71.04991	17.6
71.39315	3.5
73.02891	2.5
74.78211	1.6
79.05076	3.0
79.05499	45.9
81.03420	100.0
81.07059	45.9
83.04977	16.5
83.08617	28.6
85.02902	12.0
85.06540	7.7
86.09711	3.7
87.04469	28.5
87.53238	2.0
91.05478	38.6
93.07044	32.1
95.04964	31.8
95.08608	20.6
97.02888	10.4
97.06516	10.6
97.10189	17.8
99.04456	9.4
103.05492	2.0
105.07037	26.5
107.04961	17.5
107.08596	26.0
109.02887	3.7
109.06541	9.9
109.10157	48.3
111.04431	11.1
111.08079	15.5
113.61517	1.7
115.05457	2.8
117.07010	9.7
119.04882	2.7
119.08583	25.5
121.02840	2.8
121.06509	10.9
121.10138	19.6
123.04427	6.0
123.08112	5.4
123.11720	2.0
125.09654	17.2
125.43037	1.7
127.03915	5.5
129.07010	16.6
131.04878	3.1
131.08566	26.1
132.91380	1.8
133.06473	4.5
133.10130	12.2
135.04405	5.0
135.08041	8.3
135.11708	12.1
137.05972	4.3
137.09605	6.7
141.07034	3.3
142.07771	3.0
143.08546	3.8
145.06476	4.2
145.10150	12.8
147.04373	2.3
147.08040	8.0
147.11707	17.1
149.05916	2.2
149.09596	21.7
153.09044	5.1
153.12732	8.6
155.08553	3.3
155.10715	4.6
157.06471	1.9
157.10123	16.2
159.11719	3.8
161.05952	4.7
161.09581	4.8
163.11174	16.7
165.12727	3.8
169.10066	3.1
171.11736	3.3
173.09605	3.4
173.11780	9.0
173.13142	2.3
175.11183	15.6
181.12234	6.2
184.07375	5.9
185.13283	4.3
187.11241	3.7
189.09709	2.2
189.11261	14.2
189.12784	2.8
191.10699	6.9
193.12259	55.7
197.15327	2.5
199.13210	10.1
201.12773	2.2
203.10680	1.9
203.14268	4.2
207.13774	2.6
209.11668	10.8
211.11382	2.1
211.13278	46.9
217.12158	2.5
217.98763	1.8
219.13786	2.6
221.15265	2.0
223.13234	2.7
225.14760	8.2
227.12764	19.9
229.12190	2.4
229.14359	35.4
231.13771	3.4
235.13158	2.6
247.13193	8.8
249.14813	16.0
253.14357	2.5
259.13211	4.1
259.15588	2.6
267.15915	63.1
273.14767	4.1
277.14294	2.5
283.15375	15.2
301.14343	3.4
303.04965	2.3
309.17105	2.6
315.18164	3.8
333.19009	3.3
337.21631	3.6
355.22668	8.2
365.21021	12.3
373.23697	6.1
383.22134	30.3
385.23499	2.1
391.25180	2.3
401.23257	24.3
403.24820	3.8
409.25696	3.1
415.24756	7.4
419.23953	4.0
421.25797	26.9
422.26282	2.3
433.26044	9.3
436.16022	2.1
447.27017	4.4
457.25842	7.6
475.26862	26.8
489.27823	4.2
493.27838	8.0
507.29526	24.9
525.30670	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	772.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.3
55.05241	1.9
55.05513	37.7
56.26166	1.4
57.03442	19.2
59.05006	29.0
61.02926	2.2
65.03945	5.2
67.05510	87.1
69.03431	8.6
69.07066	13.2
69.38882	8.3
71.01354	2.6
71.05002	21.7
73.32651	1.3
77.03944	1.8
79.05496	51.6
81.03421	100.0
81.07061	53.0
81.07537	3.1
83.04984	18.5
83.08627	33.4
85.02916	9.7
85.06545	7.3
87.04475	31.4
91.05486	58.9
93.07047	37.1
95.04974	40.4
95.08608	24.4
97.02870	10.5
97.06532	11.9
97.10181	24.8
99.04449	15.1
99.08082	2.2
103.05495	2.5
105.07038	31.5
107.04967	20.9
107.08600	27.9
109.02894	4.1
109.06525	10.4
109.10158	49.6
111.04466	13.4
111.08090	13.9
111.11696	1.5
113.06004	2.4
115.05461	2.7
115.71179	1.2
117.07018	12.4
119.04915	2.5
119.08595	29.0
121.02895	3.8
121.06505	12.9
121.10156	23.8
123.04438	6.1
123.08112	7.2
123.11698	2.0
125.06011	2.4
125.09635	15.9
127.55302	1.6
128.06212	1.8
129.05519	1.8
129.07024	15.7
131.04907	2.1
131.08575	25.4
133.06519	7.6
133.10132	17.1
134.00168	1.6
135.04407	6.3
135.08102	7.1
135.11710	11.1
137.05983	5.4
137.09650	5.6
141.06995	2.5
142.07787	4.5
143.08612	3.6
145.06537	4.0
145.10129	12.4
147.04417	4.0
147.08093	8.8
147.11696	22.4
149.09636	19.4
149.13263	1.6
151.11234	1.6
153.09143	5.1
153.12781	9.0
155.08597	2.1
155.10684	4.1
157.06551	1.7
157.10147	17.2
159.08084	2.5
159.11710	4.7
161.05975	5.9
161.09669	3.0
161.13298	1.4
163.11183	14.9
165.12766	5.0
167.10699	1.9
169.10204	2.4
171.08089	2.0
171.10268	1.6
171.11713	2.7
173.09654	3.8
173.11777	11.0
173.13107	2.5
174.36636	1.5
175.11206	20.3
181.12244	5.4
183.11687	2.4
185.09645	1.9
185.13271	3.6
187.11195	3.6
189.09406	1.7
189.11258	9.8
189.12695	1.8
191.10704	6.5
193.12259	56.9
195.11647	2.4
197.15372	3.2
199.13327	6.9
201.12840	3.3
203.14392	3.2
205.12254	2.4
207.13841	2.1
209.11740	14.2
211.11380	1.6
211.13287	48.1
213.12738	2.2
215.10696	1.7
217.12306	2.4
217.14363	3.0
219.13812	3.0
223.13348	4.1
225.12793	2.9
225.14853	15.4
227.12773	17.3
229.12344	2.3
229.14374	40.4
230.14729	1.5
231.13889	6.3
235.13322	5.7
241.14268	2.2
247.13293	9.6
249.14876	15.0
259.13300	4.0
259.15536	2.2
263.16492	3.3
265.14777	1.6
267.15933	55.9
273.14948	4.6
277.14584	2.2
283.15472	14.8
289.14395	1.4
295.15500	1.8
301.14236	2.6
309.16824	2.8
315.18021	5.7
319.15216	1.8
333.19217	1.8
337.21655	6.8
347.20111	2.3
355.22760	11.1
365.21146	10.4
373.23672	6.9
383.22241	21.2
391.24997	2.4
401.23245	21.0
409.25702	2.0
415.24884	4.2
419.24185	2.7
421.25830	23.5
433.25723	7.8
447.27328	2.4
457.25867	7.0
463.26761	1.7
475.26971	24.4
482.51367	1.7
489.28510	3.3
493.28140	7.7
507.29559	25.5
517.27954	1.6
525.30542	9.3
746.63147	1.6
791.36096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13501	1.5
55.05514	14.1
56.96816	1.3
57.03432	5.4
57.07077	3.3
61.02929	13.2
62.70630	1.5
67.05507	24.7
69.03419	6.2
69.07068	9.3
71.04989	2.4
71.54744	1.6
73.02918	7.2
79.05499	15.9
80.09719	1.3
81.03413	4.9
81.07058	22.2
83.04977	7.4
83.08610	5.3
85.02911	12.0
85.06521	1.8
86.09711	2.5
91.03957	5.2
91.05489	15.9
93.07042	17.0
95.04937	3.3
95.08613	18.0
97.02908	10.4
97.03419	1.8
97.06519	2.0
97.10208	2.0
99.08111	1.5
105.07029	15.3
107.08601	12.2
109.06487	2.5
109.10141	9.3
111.04450	6.8
114.45408	1.9
115.05455	2.0
117.07001	8.4
119.08585	11.6
121.10103	9.1
123.11766	2.0
124.99993	3.7
127.03889	3.6
128.06194	2.9
129.06989	11.3
131.08546	12.6
133.10156	10.1
135.11694	4.4
141.06961	3.9
142.07803	2.1
143.08562	10.2
145.10117	11.3
147.11641	6.9
149.13298	2.7
153.06873	1.6
155.08594	6.6
157.10150	11.1
159.11714	8.0
161.13264	2.8
167.08566	4.7
169.10143	12.6
171.11684	10.0
172.93585	1.5
173.13295	4.5
175.14775	2.2
180.09312	1.5
181.10126	8.5
183.11697	9.8
184.07324	6.7
185.07715	1.8
185.11816	1.6
185.13242	6.7
185.14648	1.6
187.14796	3.0
193.10191	2.6
195.11739	7.0
196.12622	1.5
197.13289	8.3
199.14832	3.6
207.11685	3.9
209.13269	7.8
211.14790	6.4
213.16414	3.0
221.13258	3.1
223.14847	6.0
225.16374	3.5
227.18065	2.0
235.14816	2.1
237.16394	5.4
239.18091	2.7
247.14815	1.9
263.17850	1.9
265.19501	2.8
325.63455	1.7
517.40314	6.2
535.40680	3.0
539.37268	2.7
591.44122	9.9
609.45129	100.0
610.44647	3.5
612.46960	2.6
651.45734	2.2
717.47125	2.0
735.47363	2.5
753.48749	3.6
771.50360	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05512	9.5
57.03436	5.0
57.07071	1.9
61.02649	1.0
61.02928	12.2
65.03944	0.8
67.05507	17.6
69.03430	8.0
69.07068	9.1
69.64990	3.9
71.01334	0.7
71.04985	1.8
73.02923	5.9
79.05067	1.0
79.05498	12.8
79.95335	0.6
81.03407	3.7
81.07057	17.4
83.04988	3.0
83.08616	4.3
85.02904	11.5
86.09699	1.2
91.03956	6.6
91.05491	10.6
93.07044	13.0
95.04968	1.8
95.08607	15.1
97.02898	12.3
97.06535	0.9
97.10165	2.5
99.04433	1.4
101.02393	1.6
101.06034	0.8
105.07035	11.7
107.08601	10.2
109.02899	1.0
109.06539	0.9
109.10156	6.2
111.04449	2.3
115.03891	0.6
115.05469	0.6
117.07010	5.7
119.08588	9.9
120.33482	0.7
121.10147	6.2
123.08038	0.6
123.11682	2.2
124.99957	1.2
125.09683	0.8
127.03902	2.5
128.06239	2.0
129.05481	1.1
129.06993	8.3
131.08574	10.3
133.10136	8.3
135.11682	3.8
137.09579	0.6
141.07021	3.8
142.07787	1.9
143.08572	10.2
144.09338	0.8
145.04941	0.7
145.10138	10.0
147.11705	4.4
149.13293	2.2
153.06966	0.9
154.07774	1.3
155.08565	8.3
156.09372	1.0
157.10127	8.9
159.11688	7.5
161.13304	3.0
163.11336	0.8
163.14799	0.7
165.07008	1.2
166.07829	0.9
167.08583	4.0
168.09407	0.8
169.10124	10.0
171.11697	7.8
173.13350	3.8
175.14856	1.6
177.16402	0.6
179.08633	1.5
181.10144	6.5
182.10905	1.6
183.11694	9.3
184.07349	3.3
185.13245	6.6
187.11119	0.6
187.14868	2.3
189.16548	0.7
193.10202	2.3
195.11702	7.5
197.13310	7.0
199.14821	4.7
201.16412	1.5
206.05690	0.6
207.11737	2.1
208.12601	0.9
209.13286	4.9
211.14832	5.5
213.14700	0.8
213.16515	2.0
219.11798	0.6
221.13345	2.8
223.14839	4.8
225.16409	2.9
227.18050	1.3
233.13214	1.0
235.14900	2.3
237.16498	2.4
239.18022	1.9
241.19576	1.2
249.16478	1.3
251.17929	2.0
253.19617	0.9
254.14749	0.6
263.18008	1.2
265.19690	0.9
275.17853	0.8
277.19373	0.7
295.20267	0.7
297.22168	0.9
311.20108	0.7
311.23651	0.9
313.21753	0.8
321.22070	0.9
335.23837	0.6
337.25336	1.3
349.25153	0.8
351.27124	1.1
363.26846	1.0
391.30148	0.7
447.32568	1.0
487.34402	1.1
501.35913	0.8
515.37842	1.3
517.40491	5.5
535.41528	2.5
539.37433	1.8
541.38867	1.1
573.42987	1.3
591.44086	5.5
607.43707	2.2
609.45135	100.0
610.45587	4.1
611.46411	1.1
621.45233	0.7
633.45526	0.7
651.46509	0.9
735.48645	1.4
753.49011	1.7
771.50531	19.4
772.51111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36053	0.2
54.62555	0.2
55.05504	0.2
56.05036	0.8
57.07086	0.2
58.06602	0.3
60.08165	6.2
67.05501	0.4
70.27502	0.3
70.27858	0.6
70.80098	0.2
71.07365	3.0
79.05515	0.3
81.03416	0.3
81.07038	0.5
83.04971	0.6
85.02911	0.2
86.09705	29.8
87.10046	0.2
91.05492	0.3
98.21380	0.3
98.98465	3.2
104.10748	1.8
105.07018	0.2
107.08608	0.2
111.04440	0.4
121.10145	0.2
125.00006	18.3
166.02686	0.2
172.31281	0.2
184.07339	100.0
185.07703	0.6
246.10881	0.2
248.26544	0.2
303.26376	0.2
482.67615	0.2
633.23602	0.3
712.45447	9.2
713.44397	0.3
737.44873	0.2
762.40887	1.8
763.42120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05511	1.8
57.03435	1.7
61.02941	4.6
67.05517	3.4
69.03423	2.7
69.07062	1.8
71.36922	1.2
73.02923	3.8
79.05498	4.2
81.03413	2.3
81.07049	4.1
83.04986	1.3
83.08619	1.4
85.02908	4.2
86.09703	2.5
87.04475	0.7
91.03970	2.2
91.04979	0.9
91.05460	4.4
93.07064	5.3
95.04955	1.0
95.08617	2.2
97.02894	4.2
99.04453	1.1
101.02376	1.5
105.07045	2.4
107.08598	2.6
109.02897	0.9
117.07018	2.1
119.08582	2.2
121.10136	1.3
125.00025	1.9
127.03919	1.4
131.08559	1.5
133.10149	2.5
135.11690	1.6
145.10155	1.5
147.11671	1.3
149.13229	0.8
159.11789	1.1
163.11183	1.5
171.11705	0.7
172.97455	0.8
184.07347	8.5
185.04272	1.1
243.08508	2.3
249.11128	1.0
259.20718	0.9
276.10931	0.8
301.09036	1.2
387.97565	0.7
465.21048	0.9
467.19196	6.3
469.20535	0.7
533.27277	1.2
535.28821	5.6
761.40796	100.0
762.41638	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	761.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01870	0.3
55.05520	0.6
57.03432	1.3
57.03691	0.3
59.04998	1.2
61.02933	3.8
65.12759	0.3
67.05509	2.4
69.03432	2.3
69.07075	0.7
70.69837	0.4
70.70201	0.6
71.04993	1.6
71.58958	0.3
73.02917	2.4
77.30717	0.3
79.05500	3.4
81.03425	4.3
81.07063	2.6
83.04990	0.8
83.08633	1.3
85.02912	3.1
85.06570	0.6
87.04500	0.5
91.03964	2.3
91.05492	3.3
93.07047	2.3
95.04971	2.0
95.08613	1.2
97.02895	2.8
97.06541	1.1
99.04414	0.6
101.02409	1.6
103.03977	0.6
105.07043	2.4
107.05038	0.3
107.08615	1.2
109.02940	0.5
109.10181	0.4
111.04433	0.3
111.08057	0.7
115.23917	0.3
119.08591	1.6
121.10168	2.0
123.11738	0.3
127.03934	1.0
129.07018	1.0
131.08560	1.6
133.10172	1.3
140.58740	0.3
145.04909	0.3
147.08064	0.3
147.11713	2.1
149.09648	2.3
150.42171	0.3
157.10161	1.3
158.77727	0.3
163.11256	0.3
165.12820	0.4
175.11232	1.2
193.12245	2.4
197.15395	0.7
203.05334	0.5
211.13223	0.5
225.14934	1.1
233.11597	0.5
243.08426	2.7
253.14363	0.3
267.15921	2.2
283.15201	7.4
299.18814	0.4
339.17905	2.2
441.21014	0.5
469.20514	0.8
483.22211	0.6
501.23096	30.4
502.23584	0.7
526.11029	0.4
599.34265	0.6
657.31982	0.5
761.39307	100.0
762.39764	3.3
766.37921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01869	0.6
55.05513	2.5
56.05025	0.8
57.03438	2.2
58.06604	0.6
60.08165	5.9
67.05505	7.9
68.81639	0.3
69.03430	0.6
69.07079	2.0
70.47951	0.6
71.05013	0.5
71.07377	3.2
76.04283	0.3
77.35690	0.3
79.05491	5.1
81.03418	10.3
81.07062	7.2
83.04977	1.1
83.08631	2.9
83.27489	0.3
85.02901	0.6
86.09708	28.8
91.05477	4.5
93.07049	5.3
95.04971	3.3
95.08617	5.3
97.02896	0.6
97.06522	0.7
97.10162	1.1
98.98464	3.1
104.10751	1.7
105.07037	2.9
107.04961	0.8
107.08601	3.3
109.10155	2.2
111.04420	0.5
111.08089	0.9
117.07005	0.8
119.08602	2.6
121.06525	0.5
121.10155	3.4
123.11678	1.0
123.68930	0.3
125.00009	18.5
125.09618	0.6
129.07002	1.5
131.08553	2.2
133.10123	2.1
135.08043	0.4
135.11676	1.5
137.09612	0.5
145.10120	1.4
147.11681	1.4
149.09676	0.8
149.13257	1.1
157.10115	1.6
159.11679	1.0
161.13268	0.6
163.11218	0.4
171.11699	0.5
173.13298	0.6
175.11179	1.3
184.07344	100.0
185.07730	0.8
187.14801	0.8
189.11182	0.5
193.12238	3.5
197.13327	0.3
215.22662	0.3
227.12701	0.6
235.13251	0.4
243.21028	0.5
261.22122	1.7
267.15912	11.3
267.61008	0.4
285.16995	1.4
301.25180	0.6
309.16855	0.9
311.25674	0.4
317.24921	0.4
335.22061	0.7
335.25845	8.8
336.26147	0.6
385.38983	0.4
435.32657	0.4
453.33691	0.8
471.35062	0.7
527.37347	7.0
545.38422	6.2
563.39093	0.5
569.38397	0.6
710.44049	8.0
711.44537	0.5
760.43231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
55.01875	7.7
55.05513	24.2
57.03444	18.7
57.07065	3.3
60.08169	3.6
61.02940	3.8
65.03954	4.0
67.05508	74.1
69.03424	5.4
69.07066	22.4
69.60390	4.5
69.60802	10.8
71.01362	4.5
71.04985	8.2
79.05498	61.0
81.03428	24.2
81.07062	72.8
83.04992	20.8
83.08627	12.8
85.02919	11.6
85.06552	4.8
86.09707	17.2
91.05480	34.3
93.07047	71.8
95.04959	10.1
95.08614	52.4
97.02891	14.1
97.06522	10.0
97.10167	8.0
98.98465	2.8
99.04458	3.0
105.07045	23.7
107.04956	15.8
107.08599	39.7
109.06500	3.5
109.10156	22.5
111.04460	14.2
111.08106	4.6
117.07040	14.8
119.08581	21.6
121.06508	3.3
121.10146	33.9
123.08080	7.0
123.11736	7.3
125.00014	10.2
125.09616	4.0
127.03919	1.9
129.06999	3.5
130.07787	2.3
131.08580	19.0
133.10130	13.9
134.43750	2.0
135.08037	3.9
135.11699	27.5
137.09650	3.5
139.11221	4.0
143.08589	2.6
145.10149	28.7
147.08037	5.0
147.11685	8.1
149.09547	5.0
149.13248	6.0
151.11241	2.8
153.12767	13.8
155.08575	2.8
157.10083	2.4
159.11668	6.1
161.13272	4.9
163.11197	33.0
173.09691	10.1
173.13300	5.8
175.14839	2.9
181.12270	9.4
184.05807	3.4
184.07359	56.5
185.07733	2.2
187.14877	2.4
191.10677	11.1
209.11722	30.5
227.12770	18.4
243.21179	4.6
245.13940	4.1
259.20584	3.8
261.22137	17.5
264.06183	2.2
265.14352	5.0
265.63525	1.9
283.15442	45.2
301.16479	75.7
315.23062	2.7
317.24710	3.5
335.25797	100.0
336.26178	4.3
433.31134	2.9
451.31985	8.6
525.35553	11.9
543.36914	56.6
544.37140	3.0
561.37897	94.1
562.37872	3.5
671.32617	2.4
711.33264	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	758.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
55.01875	8.4
55.05515	50.1
57.03166	1.3
57.03445	21.2
57.07072	2.4
57.27148	1.0
59.04987	4.8
61.02928	18.3
65.03931	2.5
67.05508	100.0
69.03429	9.2
69.07075	15.9
69.31086	8.9
71.01350	4.0
71.05014	7.0
73.02932	8.0
75.04482	1.7
79.05070	1.8
79.05499	27.3
81.03417	18.2
81.06597	2.0
81.07061	36.8
83.01336	1.6
83.04995	15.3
83.08152	1.7
83.08624	23.7
85.02910	34.5
85.06522	4.5
86.09694	2.7
87.04476	8.9
91.03965	15.0
91.05484	16.3
93.07046	15.4
95.04990	7.4
95.08611	16.1
97.02890	15.4
97.06540	7.0
97.10177	33.5
99.04435	1.8
99.08075	1.8
101.02388	1.1
103.03946	16.5
105.07027	7.1
107.04961	6.2
107.08593	20.0
109.02860	1.5
109.06495	2.9
109.10163	80.0
111.04420	6.4
111.08080	4.9
111.82340	0.9
117.07007	3.2
119.08583	11.6
121.06467	1.3
121.10168	6.1
123.08069	2.6
123.11739	1.2
124.99928	1.3
125.05978	1.8
125.09640	45.3
127.03902	6.2
129.05490	1.9
129.06950	2.9
131.08569	3.9
133.10083	2.3
135.11729	8.4
137.05968	1.4
137.09628	4.8
139.07541	1.2
139.11143	1.1
143.10683	8.6
145.04991	6.5
145.06270	1.1
145.10133	8.3
147.11661	1.7
149.09598	2.3
151.11212	1.2
153.12767	14.5
154.56158	1.2
155.10638	8.0
159.06532	1.9
163.06032	8.9
163.11218	18.0
173.04457	2.5
173.09694	3.4
173.11748	38.5
181.12241	12.0
184.07353	2.6
189.11166	3.5
191.10692	8.9
192.66928	1.2
193.12218	4.4
199.13290	8.7
209.11731	15.0
217.14351	5.2
227.12801	26.6
229.14375	78.0
241.14059	1.4
245.13817	6.4
257.13864	34.5
267.15729	1.8
275.12442	1.1
283.15411	42.2
284.15497	1.4
285.16904	1.3
292.97717	1.2
301.16470	70.6
302.16769	1.4
319.17474	14.3
399.23730	4.7
445.20532	2.6
463.21738	2.2
474.32605	1.3
475.34302	1.4
543.27771	1.7
561.29144	2.1
758.35321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2189
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.05490	0.2
57.03442	1.2
59.04995	0.1
61.02926	1.1
66.26841	0.1
67.41489	0.1
68.99794	0.2
69.00200	0.1
69.03408	0.4
69.63210	0.6
70.06564	0.1
71.01346	0.1
71.04996	7.5
73.02905	0.5
75.04456	0.4
81.03394	0.2
83.04975	0.5
85.02909	9.7
87.04458	0.2
91.03963	0.7
97.02403	0.1
97.02895	1.0
98.20847	0.2
98.97552	0.1
99.04469	0.1
105.03363	0.2
107.04942	0.2
109.02882	0.2
111.00782	0.5
111.04409	0.3
121.02867	1.6
127.03896	0.5
129.05495	2.4
133.02855	0.5
137.02318	0.4
145.04915	0.3
147.04405	0.3
147.06537	0.6
153.01828	2.2
163.06042	0.1
165.01843	1.2
167.13979	0.1
171.04395	0.2
183.02892	0.6
185.06023	0.2
189.05357	0.1
197.05820	0.1
203.07057	0.2
213.05449	0.8
219.01582	0.1
231.06493	0.6
241.04929	0.7
258.05255	0.8
259.05966	0.2
263.05612	0.1
269.04449	0.1
270.05130	0.1
287.05505	100.0
288.05859	1.8
299.05551	0.2
329.06552	0.3
353.06635	0.3
433.11517	0.1
449.10815	22.6
450.10974	0.5
611.15619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.1
54.56582	3.2
55.01861	12.8
55.05515	32.9
57.03432	13.9
57.07079	7.0
60.42109	3.3
61.02918	7.5
62.59155	3.3
67.05505	58.0
68.05797	3.5
69.07076	20.0
69.75336	18.5
71.05003	5.9
78.13238	3.4
79.05495	70.1
81.03423	22.5
81.07063	52.0
83.01345	5.2
83.04980	20.8
83.08623	23.5
85.02906	7.8
85.06540	4.0
86.09705	17.1
91.05491	73.4
93.07051	73.2
95.05006	17.3
95.08611	36.2
97.02895	9.4
97.06549	10.6
97.10184	9.5
97.28152	3.2
99.04459	3.9
105.07029	69.6
107.04955	14.3
107.08591	37.9
109.06516	7.1
109.10154	12.4
111.04459	7.0
111.08039	5.0
117.07021	26.5
117.87095	3.4
119.08582	65.8
121.06495	4.3
121.10137	33.0
121.20960	3.8
123.08050	10.9
124.99990	13.2
125.09621	7.7
129.05554	4.3
129.07031	17.1
131.08583	28.1
133.10130	41.6
135.08069	6.4
135.11713	29.2
143.08580	12.5
145.10130	37.0
147.08160	5.3
147.11705	37.9
149.09589	4.5
149.13243	10.6
155.08589	4.1
157.10130	10.7
159.11708	23.2
161.00868	3.5
161.13231	25.3
163.11182	26.9
163.14824	3.5
167.08569	4.3
169.10114	4.1
171.11705	15.0
173.13287	10.2
175.14836	8.3
180.10124	3.9
181.12248	5.5
184.07367	56.0
185.13290	12.5
189.11302	3.6
199.14815	7.2
209.11693	4.5
211.13220	4.9
227.12796	19.2
231.21223	8.1
241.19563	23.9
245.13777	4.9
257.19189	4.3
259.20596	79.9
267.15921	5.0
275.20056	7.0
283.15402	66.0
297.22253	7.3
313.03256	4.2
315.23203	10.4
333.24234	51.3
349.23709	5.0
431.29224	7.9
449.30518	6.4
467.31409	9.9
485.32074	4.5
523.33960	14.7
541.35321	100.0
542.35736	6.6
559.36139	38.8
609.63751	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	754.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.8
56.05013	0.8
57.07058	0.4
58.06604	0.4
60.08167	4.8
67.05491	1.0
71.07372	3.2
71.54562	0.3
79.05465	0.3
81.07034	0.7
83.04992	1.8
85.02892	0.3
86.09709	29.1
91.05470	0.3
93.07008	0.5
95.08626	0.4
98.98461	2.9
104.10749	2.4
109.10135	0.5
111.04449	2.4
114.13604	0.3
119.08522	0.3
120.31477	0.2
121.10176	0.3
125.00009	19.4
129.05396	0.4
156.25084	0.2
168.03291	0.3
184.07346	100.0
185.07742	0.6
204.01102	0.3
283.15289	0.4
334.78198	0.3
347.17023	0.3
595.47046	0.6
611.27625	0.4
650.43976	9.5
651.44397	0.3
754.48590	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	756.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.7
55.01793	1.9
55.05429	9.4
55.05735	2.1
57.03352	6.3
57.03661	1.7
59.04929	0.6
65.03857	0.6
67.05413	15.5
67.05814	2.3
67.09179	0.6
69.03355	1.7
69.06979	4.0
69.07381	1.4
71.04906	2.6
79.05394	17.8
81.03316	38.8
81.06958	13.2
81.07471	1.3
83.04880	4.6
83.08517	13.8
83.09052	1.4
84.92970	0.6
85.02827	1.3
85.06430	1.8
91.05374	11.7
92.74023	0.6
93.06940	13.8
93.07561	1.3
95.04861	18.5
95.05511	1.5
95.08498	6.8
97.02801	1.2
97.06534	3.0
97.10168	15.4
100.12402	0.5
103.05388	0.7
105.06921	10.7
107.04958	11.9
107.08597	9.6
109.02800	0.7
109.06525	7.6
109.10152	4.9
110.48354	0.6
111.04355	1.3
111.08099	3.9
115.05377	1.5
115.59386	0.6
116.98405	0.5
117.07021	4.1
119.04845	1.5
119.08582	9.3
121.06520	9.2
121.10158	6.8
123.04371	1.1
123.08067	2.9
125.09637	12.5
129.06992	6.7
131.04839	1.2
131.08578	7.7
133.06511	3.4
133.10156	4.8
135.08083	3.7
135.11560	1.7
137.05927	0.7
137.09532	1.5
139.10995	0.8
141.06902	1.7
142.07674	1.4
143.08429	2.7
145.06477	6.2
145.10147	4.4
147.04379	1.5
147.08037	4.4
147.11679	5.0
149.09618	4.3
151.07317	0.6
153.09125	3.5
153.12630	1.7
155.08418	1.9
157.06393	0.8
157.10144	6.9
159.07967	1.4
159.11569	2.3
161.05907	1.2
161.09528	1.4
163.11079	2.7
165.12668	1.4
167.10625	1.1
169.10011	1.7
171.07954	1.2
171.10190	1.2
171.11626	1.6
173.09569	1.4
173.13103	1.8
175.07487	0.7
175.11200	5.7
177.12677	0.8
181.10059	1.5
183.07912	0.9
185.09485	0.9
187.11118	1.1
187.14694	1.8
189.09496	0.6
189.11111	4.4
189.12686	1.5
191.14218	1.5
193.12236	15.0
195.11595	1.7
197.09511	1.2
197.13155	1.4
199.11066	1.7
199.13089	1.0
201.12688	0.9
203.14406	0.9
205.12134	0.8
209.09637	0.7
209.13344	0.8
211.11227	0.9
211.13199	1.9
213.12691	1.3
215.14178	2.2
217.12212	1.5
219.13751	3.0
223.11055	0.6
223.13138	0.8
225.12674	1.2
227.12686	2.3
227.14540	1.0
231.13713	1.5
233.15393	4.8
235.13193	1.2
237.12686	1.3
237.14789	0.8
239.14154	1.1
243.13869	0.8
245.15314	1.1
249.14830	2.3
250.95418	0.6
255.13676	1.8
255.16426	0.6
257.15308	0.8
259.13174	1.8
261.14865	0.8
267.15933	34.5
269.15381	0.7
271.16919	1.3
273.14764	6.5
273.17111	0.8
275.16391	0.8
283.16437	0.9
285.16953	1.0
287.16360	0.8
293.17477	1.4
321.22055	0.9
339.23334	2.9
349.21631	4.2
357.24243	1.6
367.22687	14.6
385.23767	21.3
403.24805	6.7
405.24203	1.1
423.25342	1.1
441.26413	10.2
459.27432	100.0
460.27695	2.8
477.28503	95.3
478.28851	2.3
491.29984	12.3
501.28427	2.8
509.31268	6.0
541.33728	1.5
567.29291	2.2
585.30859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.4
56.05028	0.9
57.03442	0.5
57.07060	0.9
58.06602	0.5
59.07393	0.3
60.07886	0.4
60.08167	5.2
61.86919	0.2
67.05511	1.4
69.03437	0.3
69.07061	0.5
69.97588	0.5
69.97991	0.4
71.07381	3.0
71.08610	0.5
79.05479	0.9
81.03400	0.3
81.07058	1.2
83.04980	2.5
83.08625	0.5
85.02905	0.6
86.09710	28.9
91.05472	0.4
93.07028	0.6
95.08601	0.9
97.02895	0.4
97.10161	0.4
98.98470	2.3
101.06018	0.5
104.10751	1.8
107.08607	0.3
109.10149	1.3
111.04455	3.0
119.99603	0.2
121.10147	0.2
122.23582	0.2
125.00013	17.6
125.09616	0.5
127.03903	0.3
129.05479	0.5
136.01450	0.3
173.11778	0.3
177.15895	0.2
184.07349	100.0
185.07632	0.5
211.09628	0.3
227.12788	0.3
229.14368	0.6
231.71030	0.2
239.23836	0.3
297.16858	0.4
301.16351	0.4
313.27371	1.5
335.25870	0.6
347.16953	0.7
443.38394	0.3
557.38470	0.4
613.26471	0.3
650.43970	9.9
754.48645	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01484	0.3
55.01870	0.6
55.05522	1.5
55.97796	0.3
57.03445	2.0
57.07080	0.4
57.94749	0.3
61.02930	5.7
67.05178	0.5
67.05510	4.8
68.70819	0.3
69.03436	3.7
69.07079	1.5
69.07414	0.3
69.96908	1.0
71.01369	0.4
71.05000	0.7
73.02926	4.2
79.05499	3.2
81.03427	2.8
81.07062	5.0
83.08641	0.8
85.02910	6.3
86.09721	1.1
87.04472	0.3
87.65144	0.3
91.03967	3.7
91.04953	0.4
91.05481	2.6
93.07047	4.5
95.04967	0.8
95.08614	3.9
97.02895	5.3
98.20845	0.5
98.98499	0.3
99.04464	1.1
101.02388	2.2
103.03931	0.6
105.07047	1.9
107.08598	1.8
109.02880	0.9
109.10164	1.3
115.03924	0.7
117.07043	0.6
119.08599	1.5
121.10158	1.7
123.08136	0.3
123.11734	0.5
125.00036	0.8
127.03938	1.9
129.05508	0.3
129.06978	0.3
131.08589	1.2
133.10141	0.5
135.11743	0.7
145.10126	0.5
147.11707	0.9
149.13335	0.5
157.10135	0.4
161.13344	0.4
175.11198	0.4
184.07339	3.7
185.04279	0.5
185.07791	0.7
193.12294	0.5
197.31741	0.3
203.05318	0.5
211.13429	0.3
243.08464	2.4
251.12703	1.4
307.15384	0.3
335.25836	0.5
349.15112	0.3
355.98331	0.3
356.02762	0.3
469.20477	4.0
519.29358	6.5
539.38995	0.4
747.42902	100.0
748.43219	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	747.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05518	1.3
57.03437	1.6
57.07083	0.6
60.08149	0.5
61.02931	4.6
67.05508	4.2
67.65293	0.3
68.85493	0.4
69.03433	3.2
69.07070	0.8
71.01361	0.5
71.04993	0.6
71.54550	0.4
71.54922	0.4
73.02927	2.9
79.05503	3.0
81.03412	3.2
81.07060	3.7
83.08637	1.3
85.02913	5.8
86.09715	1.5
91.03959	2.7
91.05487	3.5
93.07037	3.1
95.04974	1.0
95.08624	2.9
97.02896	5.4
97.06516	0.5
97.10180	0.4
99.04478	1.0
101.02386	2.2
103.03983	0.5
105.07029	1.5
105.94244	0.4
107.08615	1.3
109.02879	0.4
109.06545	0.4
109.10156	1.2
111.04440	0.6
111.08096	0.5
111.60070	0.4
112.79268	0.4
115.03925	0.5
117.07011	0.5
119.08591	2.1
121.10175	1.5
123.11773	0.7
125.00014	1.3
127.03907	1.3
129.05437	0.4
129.07005	0.5
131.08571	1.1
133.10153	1.3
135.11705	0.9
147.11696	1.5
149.13379	0.5
157.10167	0.7
175.11217	0.5
184.07356	7.9
185.04303	0.8
185.07744	1.1
193.12300	1.7
211.13318	0.4
243.08394	2.2
251.12622	1.0
279.16214	0.4
335.25998	0.7
388.07629	0.4
425.26071	0.4
452.15350	0.4
469.20505	8.2
519.29352	4.4
747.42920	100.0
748.43030	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	747.3774
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03951	0.5
55.01876	0.7
55.05510	0.6
57.03445	1.7
59.04999	0.4
61.02935	4.0
62.15436	0.3
62.45292	0.3
66.82230	0.3
67.05505	2.3
69.03431	2.6
69.07076	1.1
70.06612	0.4
70.44933	0.8
71.04997	1.5
73.02921	2.5
74.13802	0.3
79.05497	2.7
81.03427	4.7
81.07061	3.0
83.08630	0.9
83.89980	0.3
85.02910	3.9
85.26782	0.2
87.04498	0.5
88.34801	0.3
91.03976	2.3
91.05505	2.9
93.07050	2.9
95.04950	1.5
95.08633	1.2
97.02905	3.4
97.06558	0.6
98.27624	0.3
99.04457	0.9
101.02398	1.1
103.03953	0.7
105.07039	2.4
107.04983	0.7
107.08616	1.3
109.02892	0.6
109.06517	0.3
109.10234	0.3
111.08140	0.4
113.81655	0.3
116.44833	0.3
119.08585	1.7
121.06544	0.3
121.10168	3.4
123.08114	0.7
127.03956	1.2
129.07022	0.9
131.08575	1.6
133.10165	1.5
135.11781	0.4
137.05986	0.3
139.11182	0.6
147.08112	0.3
147.11621	1.4
149.09616	2.7
157.10207	1.6
157.11386	0.3
167.10678	0.4
168.86864	0.3
170.95564	0.3
175.11266	1.2
190.12082	0.3
193.12285	2.0
211.13405	0.4
225.11064	0.4
225.14810	0.5
235.13403	0.3
243.08398	2.4
251.12637	0.5
267.16034	1.2
269.13745	1.3
283.15182	3.7
339.17889	0.9
425.18051	0.5
443.18881	5.2
469.20490	2.8
487.21548	7.2
501.23071	14.5
502.23425	0.3
573.25513	0.4
585.32104	0.6
641.22357	0.3
657.30414	0.3
703.35504	3.0
718.72766	0.3
729.36401	2.0
747.37775	100.0
748.37958	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01862	0.5
55.05519	3.2
57.03445	2.4
57.07069	1.3
61.02927	6.8
67.05507	5.4
69.03434	4.5
69.07062	1.6
70.05933	1.8
71.04988	0.9
73.02918	5.0
78.44750	0.4
79.05496	4.4
81.03420	2.5
81.07057	6.2
83.01332	0.7
83.04981	5.9
83.08611	1.3
85.02912	6.5
85.06538	0.8
87.04478	0.8
90.74094	0.4
91.03949	3.9
91.05489	2.8
92.37456	0.4
93.07055	5.3
95.04987	0.9
95.08610	4.2
97.02897	6.3
97.10157	0.5
99.04455	1.1
101.02399	2.1
101.06033	1.2
105.07062	1.6
107.08568	2.5
109.02879	1.3
109.06501	0.7
109.10166	2.1
111.04451	5.9
112.04813	0.7
115.03915	0.5
117.07040	0.7
119.07085	0.4
119.08590	1.2
121.10131	2.4
123.08089	0.5
123.11731	0.6
127.03914	2.7
129.05502	1.0
131.08582	1.0
133.10088	0.7
135.11720	1.7
145.05019	0.8
145.10138	1.1
146.05473	0.4
147.11674	0.6
149.13260	0.6
163.11200	1.1
184.07384	0.5
185.04243	0.5
211.09715	0.7
229.10748	0.7
237.22086	0.9
243.08481	1.8
249.11047	0.6
261.22440	0.5
335.25955	0.6
347.16968	0.6
385.25864	0.5
385.93994	0.5
467.19009	3.9
519.29358	8.1
745.41327	100.0
746.41516	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	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
53.84939	0.5
55.01881	0.8
55.05520	4.9
55.99254	0.5
57.03435	2.4
57.07068	1.2
57.72318	0.6
61.02929	5.8
67.05508	6.3
69.03431	5.9
69.07067	1.8
71.04991	1.3
71.54841	0.9
73.02919	4.6
79.05499	5.3
79.05924	0.7
81.03436	1.8
81.07054	7.4
83.01400	0.5
83.04990	9.6
83.08610	1.3
85.02906	6.4
91.03961	3.6
91.05474	2.8
93.07050	5.2
95.04951	0.8
95.08604	5.3
97.02890	5.5
97.06525	0.6
97.10184	1.2
99.04472	1.5
101.02400	1.2
101.06016	2.2
105.07046	2.1
105.59689	0.5
107.08617	2.7
109.02918	0.9
109.10173	2.3
111.04443	5.8
111.05151	0.7
113.16138	0.5
115.03967	0.5
117.06998	0.7
119.08569	1.4
121.10139	2.7
125.00006	0.6
127.03896	3.3
129.05472	2.2
131.08572	1.2
133.10141	1.0
135.11732	2.2
141.53229	0.5
145.10158	1.5
149.13322	0.5
156.74271	0.5
163.11214	1.8
184.07384	2.9
185.04193	1.0
185.08038	1.9
227.12849	1.6
229.10814	2.4
237.22147	1.4
243.08525	1.9
247.11748	0.7
249.10974	12.3
249.13419	0.9
305.13712	1.5
335.25943	0.8
399.27219	0.9
434.60159	0.5
458.18637	0.5
467.18909	5.7
519.29224	8.9
525.20331	0.7
658.97919	0.6
745.41327	100.0
746.41461	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	745.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01873	1.4
55.05513	1.5
56.81636	0.5
56.96564	0.6
57.03446	2.6
59.05007	0.5
61.02930	3.8
62.55824	0.5
67.05507	3.8
67.24483	0.5
69.03441	2.4
69.07072	1.7
71.04983	0.8
71.53458	0.8
73.01777	0.5
73.02938	2.4
77.95405	0.5
79.05509	2.1
81.03441	2.7
81.07065	2.3
83.04996	1.5
83.08614	1.0
85.02902	4.9
86.09691	0.7
87.04491	0.8
89.97010	0.5
91.03976	2.8
91.05485	2.2
93.07044	1.8
93.94703	0.5
95.04987	1.8
95.08630	1.9
97.02876	3.9
97.06543	1.5
98.97584	0.5
99.04465	0.8
99.08135	0.6
101.02413	1.7
103.03970	0.5
105.07045	1.5
107.08588	2.3
109.02851	1.3
109.06505	0.6
109.10207	1.5
111.08123	0.7
117.05531	0.5
119.08611	1.3
121.10137	1.3
123.11727	0.8
127.03899	1.1
127.11217	0.5
129.05524	1.4
131.08597	0.8
133.10138	1.1
145.10135	0.7
147.11757	1.3
149.09653	0.9
157.10194	0.6
163.03972	0.6
163.11212	0.8
167.51837	0.5
175.11217	0.8
181.04709	0.7
184.07396	0.8
185.04190	3.5
193.12349	1.4
201.03697	0.9
207.13483	0.6
243.08382	3.1
251.12637	0.8
265.14291	1.4
267.09149	0.5
267.15985	0.9
283.15195	7.7
285.10141	0.8
301.08945	10.5
309.16785	2.8
315.10419	2.8
323.18472	2.0
327.10623	0.5
339.17896	0.9
373.11227	3.3
381.18793	5.0
383.16895	1.1
385.18378	6.7
387.12790	0.5
395.20380	1.0
399.20065	2.4
413.17975	1.1
415.15952	0.6
427.19434	4.7
429.17514	1.3
433.74152	0.7
441.21274	0.9
443.18988	1.1
457.20615	1.0
465.22748	0.8
465.28180	3.1
469.20349	2.8
483.22052	0.9
485.19943	2.2
499.21533	3.8
501.23282	14.9
511.28992	1.4
529.22607	9.4
545.22180	0.8
567.31897	0.8
571.27466	0.6
573.25159	8.1
583.60339	0.5
585.29449	0.6
587.26764	1.8
601.28406	2.7
613.32068	1.6
615.30084	1.1
629.31372	0.8
641.31403	7.5
643.32928	3.9
673.34692	1.2
685.33881	1.1
687.35925	1.4
699.36426	1.1
699.85315	0.6
703.55170	0.5
727.35522	2.7
728.36005	0.7
745.36005	100.0
746.36395	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	745.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
57.03428	2.6
61.02922	3.4
67.05508	7.8
69.03446	3.1
69.07059	1.3
71.04991	2.1
71.53513	1.1
73.02930	2.9
79.05517	3.2
81.03429	5.9
81.07070	3.7
83.05004	1.7
83.08629	3.3
85.02908	7.4
85.06567	0.9
91.03954	4.2
91.05479	3.5
93.07066	3.0
95.04990	1.7
95.08628	2.8
97.02898	4.1
97.06551	1.8
98.97638	0.9
99.04465	1.6
101.02433	1.2
105.07051	2.4
107.08621	1.2
109.10159	8.3
111.08102	1.0
119.08641	2.2
121.10193	1.5
123.08108	1.1
127.03957	1.7
127.85925	0.7
129.07039	1.0
131.08615	1.6
133.10228	1.3
147.11707	1.6
149.09636	0.9
157.10191	0.8
173.11815	2.4
175.11249	1.7
182.01280	0.8
193.12332	2.2
211.13399	1.0
229.14331	1.4
243.08575	2.4
251.12746	2.4
265.40784	0.8
273.75238	0.9
413.17892	11.5
445.64331	0.8
469.20490	14.8
501.23050	1.2
641.31439	100.0
642.31982	3.3
653.27417	0.8
663.30652	1.0
699.35980	0.9
745.36035	32.3
746.36346	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76556	0.4
53.03946	0.6
55.01871	0.8
55.05519	1.1
56.96568	0.4
57.03441	2.5
57.29291	0.4
57.98629	0.3
58.78672	0.4
59.05016	0.6
61.02925	4.8
66.26924	0.4
67.05508	4.1
69.03433	3.1
69.07073	1.1
69.66745	0.4
70.06615	0.8
70.65511	0.8
71.04994	2.4
73.02915	3.3
79.05497	3.2
81.03417	5.2
81.07046	3.2
83.04993	1.8
83.08643	0.7
84.08176	0.5
85.02907	6.7
85.06555	0.6
86.09715	0.7
91.03980	2.7
91.05479	3.5
93.07050	3.7
95.04971	2.7
95.08628	1.7
97.02894	5.0
97.06554	1.4
97.10163	0.4
99.04496	1.2
99.08116	0.5
101.02414	1.6
103.03957	0.4
105.07043	2.5
107.04998	1.4
107.08591	1.9
109.02917	0.8
109.10196	1.6
111.04475	1.5
111.08093	0.8
112.11337	0.4
115.03951	0.5
117.07029	0.8
119.08585	2.2
121.06539	0.8
121.10165	3.1
125.09650	0.5
127.03937	2.3
129.05525	0.7
129.07083	1.0
131.08589	1.3
133.10172	1.4
135.11745	1.6
137.06044	0.7
145.04916	0.4
145.10175	1.3
147.08035	0.6
147.11748	1.3
147.32817	0.4
149.09653	1.8
155.08476	0.4
157.10188	1.1
157.77153	0.4
161.13232	0.5
161.98036	0.4
163.03978	0.9
163.11255	1.7
173.09634	0.5
175.11272	1.4
181.12279	0.8
182.73662	0.4
184.07445	1.5
185.04385	0.9
191.10744	0.6
193.12192	2.2
197.15445	0.5
203.05312	0.9
205.19579	0.4
209.11787	0.4
211.13390	0.4
225.14995	0.9
227.12663	0.6
243.08466	2.3
267.12164	1.2
267.16006	1.2
269.12357	0.8
283.15207	3.2
285.12027	1.0
301.16666	0.4
323.14801	0.7
339.17828	0.8
451.19348	2.1
469.20627	0.6
485.19894	11.1
485.26715	0.8
486.20581	0.6
501.23047	11.4
533.27521	0.6
583.30817	0.6
641.31384	0.5
695.32373	5.3
713.32642	1.1
727.35419	2.2
745.36182	100.0
746.36676	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	745.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01866	1.7
55.05508	1.4
67.05483	0.9
69.03416	1.3
70.06577	2.8
71.04987	0.7
71.53828	0.9
71.65170	0.7
72.08150	1.2
79.05473	1.7
79.60004	0.6
80.05004	0.7
80.27606	0.7
81.03407	1.2
83.04962	1.7
85.02900	1.5
86.09702	0.9
91.05495	1.1
93.07053	1.3
94.06565	1.1
95.04920	0.7
96.04496	0.8
97.02885	2.0
97.06522	1.7
98.06045	0.6
98.97569	0.7
99.04449	0.7
102.09176	0.6
105.07056	1.0
107.08529	0.7
107.35347	0.6
108.04489	1.3
108.08124	1.5
109.02889	0.7
109.06483	0.9
110.06060	0.6
111.04424	1.1
116.07044	0.6
118.06603	0.8
119.08571	0.7
120.08099	2.5
122.06033	1.5
123.04424	0.7
124.07606	0.9
132.06824	0.7
132.08025	0.8
133.07538	0.8
134.06013	1.3
135.04414	2.0
136.07582	3.5
140.07117	1.1
144.08119	1.1
146.05997	1.3
146.08415	1.5
146.09607	0.9
147.04350	0.8
147.06718	0.6
147.09204	1.3
148.07547	3.9
149.05974	1.4
149.09541	0.8
150.05476	0.9
152.07040	0.7
153.05441	1.0
160.07597	1.0
161.05913	0.7
161.07088	1.6
161.10809	0.8
162.05457	0.8
162.07895	1.0
163.08627	0.7
164.07021	1.7
166.05000	1.0
168.05348	0.5
168.06563	3.6
169.08986	0.7
170.09674	0.6
172.07573	2.2
173.07097	1.5
174.05504	1.9
174.07855	3.4
174.09169	2.4
175.08690	6.2
176.07100	5.8
176.09412	0.8
177.05405	1.2
178.08609	2.0
182.08231	1.0
182.09758	0.9
183.09267	0.7
184.07529	1.6
185.07161	1.1
186.09216	0.9
187.08670	2.8
188.07181	1.1
188.09416	1.0
189.06639	1.9
189.10260	4.6
190.08720	3.6
191.08136	0.8
192.06567	1.6
193.09726	1.3
194.04535	2.2
194.08076	1.1
197.10619	1.2
198.05440	0.6
199.08676	2.4
200.07068	2.7
200.10780	0.7
201.10219	2.4
202.05035	1.6
202.08646	1.8
203.08147	10.9
204.06599	1.4
204.08844	1.9
205.09753	3.3
206.08249	2.0
207.11302	1.2
209.15422	1.0
211.08611	2.2
211.12169	1.2
212.09387	1.3
213.10190	1.8
215.08144	2.1
215.11705	0.8
217.09740	14.1
218.08208	1.3
220.09911	0.9
221.10767	0.8
223.08600	0.7
224.09344	1.2
225.10248	4.6
226.11089	1.7
227.08174	4.7
227.11777	1.7
228.06554	2.0
229.09738	5.0
230.08109	1.3
232.06004	0.9
233.09142	0.6
235.10713	4.8
236.09229	2.3
237.10225	2.9
238.08705	0.7
238.10939	1.3
239.08165	6.1
239.11790	5.2
240.08971	2.2
241.09732	4.1
243.07704	0.8
243.11267	3.7
243.13393	0.7
245.09253	8.6
247.10774	1.8
250.07082	11.5
251.07893	0.9
251.11810	1.3
252.09096	1.7
253.09731	7.7
253.13371	1.2
254.10503	5.0
255.07672	0.9
255.11308	3.5
257.09229	1.5
257.12866	2.4
258.07446	0.9
260.09192	0.6
263.10272	31.5
264.08627	2.3
265.09781	3.0
265.13187	1.5
266.10385	1.4
267.08228	1.0
267.11279	9.0
267.14301	0.9
267.14868	0.6
268.11987	0.9
269.09213	3.4
269.12759	2.2
270.10114	0.9
271.10843	7.3
272.11588	0.8
273.08499	3.3
273.12500	0.8
277.09763	1.5
277.13132	0.6
278.07913	0.8
278.11594	0.9
279.11273	2.1
280.11942	0.9
281.09262	2.9
281.12854	2.1
283.10706	6.6
284.11697	3.1
285.09262	1.0
285.12347	5.7
287.10269	1.6
289.11728	3.6
291.09659	11.0
293.09235	1.9
293.12848	2.2
294.10864	0.7
295.10745	3.9
295.14471	1.5
296.11630	1.8
297.08820	1.1
297.12323	2.4
299.10306	1.4
299.13864	0.9
301.11880	1.5
303.13351	1.8
305.09195	0.7
305.12796	2.2
306.11118	0.7
307.10773	1.2
307.14279	1.2
308.12643	1.3
309.12292	3.8
311.10269	5.5
313.11942	3.3
315.09842	1.8
317.11246	3.7
321.12338	2.4
323.12381	100.0
324.12668	3.4
325.11877	3.2
325.15323	0.8
327.13504	1.1
329.11328	1.1
333.12390	2.3
335.13910	1.6
336.12292	2.1
337.11746	2.4
339.09769	2.6
339.13486	1.5
341.11227	1.7
341.15070	1.8
347.12253	2.2
349.14386	4.1
351.09442	1.4
351.13412	14.5
355.13260	1.6
357.10806	1.6
361.11523	3.6
362.10687	0.8
365.11185	1.3
367.12662	1.0
369.10666	1.0
369.14587	9.2
371.12497	3.8
373.13931	5.5
379.12695	12.9
381.14413	1.4
383.12479	1.3
387.15482	3.1
389.13638	1.4
397.13940	10.9
405.16446	1.5
407.12390	7.8
411.15408	1.5
415.14966	1.5
425.13480	10.3
429.16348	2.6
432.83984	0.7
439.15024	2.7
443.14474	1.0
457.16092	71.6
458.16309	1.8
473.16089	0.9
474.18393	1.7
475.17215	7.4
485.19827	1.0
577.21539	0.7
597.21716	0.7
613.22632	1.2
615.25177	0.7
623.20984	1.0
631.23798	0.7
641.22253	5.6
649.24487	0.8
655.24182	0.8
659.23590	7.3
673.13464	1.0
673.25049	15.0
677.24774	1.2
691.26141	52.6
692.25781	2.3
709.27173	15.1
727.28357	1.5
776.01093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.6
55.01856	0.7
55.05508	1.8
57.03436	2.2
59.05003	0.9
60.96359	0.6
61.02930	4.7
67.05508	7.1
69.03435	3.0
69.07062	1.2
71.04993	1.5
71.54582	1.0
73.02913	3.5
79.05498	1.8
81.03415	3.1
81.07048	3.8
83.05016	1.1
83.08634	0.8
85.02908	7.0
85.06552	1.5
91.03963	3.5
91.05463	1.7
93.07046	3.4
95.04950	1.0
95.08599	2.1
97.02892	3.7
97.06536	1.3
99.04440	1.7
101.02362	1.3
105.07031	1.1
107.04935	0.8
107.08618	1.9
109.02901	1.4
109.06559	0.7
109.10167	8.7
111.04449	0.6
115.03947	0.7
117.07043	0.6
119.08619	1.9
121.10176	1.5
123.08060	1.0
127.03922	2.1
131.08653	0.7
133.10146	0.8
135.11702	1.9
145.05066	0.7
145.10182	1.3
153.67012	0.7
163.11226	2.5
173.11772	2.7
184.07391	1.0
185.04300	0.8
195.09955	1.4
203.05450	0.6
209.11618	0.9
229.14354	1.7
234.00671	0.6
243.08504	2.3
283.15454	1.3
287.05743	0.7
305.13788	0.8
339.33508	0.7
413.17834	11.9
431.18979	1.9
441.33835	0.7
457.91882	0.7
459.34796	2.5
465.76675	0.7
467.18842	9.6
628.04816	0.6
639.29883	100.0
640.21143	0.7
640.29987	3.7
697.33374	0.8
743.35095	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	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01872	2.1
55.05513	20.2
57.03437	15.4
57.07076	1.6
61.02922	5.2
65.03932	2.1
67.05505	49.9
67.07169	1.0
69.03432	4.8
69.07072	13.3
70.78680	1.7
71.05004	5.2
73.02940	1.8
79.05495	39.2
81.03418	59.8
81.07055	55.6
83.04986	12.5
83.08620	26.3
85.02905	25.3
85.06538	3.9
91.03951	2.1
91.05483	37.3
93.07043	43.3
95.04967	23.2
95.08607	32.4
97.02898	4.4
97.06529	3.7
97.10180	4.4
99.08111	1.7
105.06342	0.8
105.07030	24.3
107.04956	5.5
107.08594	19.5
109.06528	4.8
109.10145	12.5
111.04449	2.9
111.08093	8.9
113.06041	2.9
115.05445	2.6
117.07021	5.6
119.08578	22.0
121.06521	1.9
121.10140	17.3
123.08080	3.1
123.11682	5.1
125.09644	2.2
129.06992	8.3
131.08566	15.9
133.06482	1.5
133.10127	16.3
135.11671	9.1
137.09622	2.2
137.13228	1.7
142.07755	2.0
145.10110	6.5
147.08093	3.2
147.11676	13.7
149.09612	6.7
149.13252	4.7
157.10152	13.4
159.11684	3.1
161.13275	2.6
163.11200	1.3
163.14847	2.1
165.12791	2.0
173.13260	3.7
175.11182	13.1
184.07333	2.1
187.14839	2.3
193.12248	40.0
194.12584	1.1
201.16451	1.1
211.13286	73.0
212.13704	1.2
227.12801	1.9
243.21069	3.4
261.22147	8.9
267.13293	1.9
267.15906	15.4
285.16968	86.2
299.23782	1.0
301.51993	1.0
317.24768	2.9
335.25797	75.5
336.26126	2.0
435.32553	2.4
457.08249	1.1
471.34518	1.5
509.36557	1.2
527.37360	13.0
545.38361	100.0
546.38593	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	743.2031
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
55.05511	0.4
56.97364	0.2
57.03172	0.2
57.03434	1.9
59.05004	0.2
60.69639	0.2
61.02922	0.9
65.03944	0.2
68.99787	0.4
69.03436	4.6
69.34080	1.6
71.01349	0.3
71.05000	7.2
73.02911	0.7
75.04469	0.6
81.03401	0.7
81.07057	0.2
81.96375	0.2
83.04986	1.6
85.02910	13.4
87.04473	2.2
91.03949	0.6
95.04977	0.3
97.02299	0.4
97.02895	5.1
97.06476	0.3
98.21545	0.4
99.04452	0.7
109.02883	0.4
111.00813	0.6
111.04436	1.2
115.03938	4.1
117.05536	0.3
121.02859	0.8
123.04449	0.2
127.03925	0.8
129.05493	3.2
133.04988	2.9
135.04398	0.2
137.02362	1.8
139.03868	0.5
145.04965	0.8
147.06532	1.8
149.02397	0.3
149.04393	0.3
153.01840	2.5
153.05453	0.3
161.05986	0.3
163.03870	0.4
165.01826	1.7
171.06563	0.6
183.02937	0.5
199.06184	0.3
201.05470	1.1
205.05002	0.4
215.03419	0.2
225.07521	0.7
229.05008	2.8
243.08696	0.7
247.06021	0.7
257.04428	2.0
261.09717	1.3
273.09686	0.2
274.04724	0.5
279.10745	0.3
285.03870	0.9
303.05008	100.0
304.05450	1.5
315.04984	0.7
345.06076	0.6
346.14063	0.2
369.06326	0.3
435.09061	0.4
447.09302	0.2
465.10480	1.6
618.63416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
54.44606	0.7
55.01867	3.0
55.05279	1.6
55.05518	21.0
57.03199	1.3
57.03442	14.0
57.07071	2.2
60.08147	2.4
61.02915	3.5
65.03939	2.0
67.05508	52.9
69.03421	4.4
69.07072	12.2
69.27000	3.4
69.27423	3.8
71.04994	4.7
71.07377	1.1
73.02930	1.3
79.05497	41.5
81.03425	46.3
81.07063	52.5
83.04570	1.0
83.04991	13.9
83.08626	19.0
84.47158	0.8
85.02908	23.3
85.06535	3.6
86.09711	9.6
87.10008	1.6
91.03946	1.7
91.04914	0.8
91.05488	35.1
93.07050	44.3
95.04972	20.2
95.08611	35.1
97.02907	4.6
97.06553	4.5
97.10176	5.2
98.98479	1.4
99.08099	0.9
104.10707	1.1
105.04510	1.5
105.07038	25.1
107.04971	3.9
107.08597	21.2
109.06516	4.3
109.09476	1.1
109.10171	13.3
109.10889	0.8
111.04470	5.3
111.08085	7.5
111.38291	0.9
113.06002	2.9
117.07023	4.7
119.04959	1.0
119.08594	20.1
121.06491	1.9
121.09347	1.1
121.10160	19.7
123.08081	2.5
123.11701	5.2
125.00034	6.4
125.09636	2.0
127.03919	1.1
129.07024	8.2
131.08572	16.2
133.06456	1.7
133.10135	13.2
135.11700	8.4
137.09613	2.5
137.13194	1.0
142.07779	2.3
145.10114	6.2
147.08110	2.1
147.11696	13.5
149.09641	5.1
149.13295	4.6
151.11153	1.4
157.10153	10.4
159.11696	4.1
161.13255	3.2
163.11174	2.0
163.14867	1.5
165.12737	2.4
171.11685	0.9
173.13310	3.7
175.11197	11.5
175.14803	1.3
184.07350	33.4
185.07707	8.9
186.07779	3.9
193.10454	1.0
193.12253	31.6
211.13315	42.8
214.55818	0.9
227.93042	0.9
243.21147	2.8
261.22208	10.1
267.15903	14.5
283.15540	0.9
285.16983	63.4
317.24811	2.2
335.25818	85.4
336.26086	1.2
372.91248	0.9
413.28775	1.0
435.32428	3.1
453.33554	1.9
527.37250	11.7
545.38403	100.0
546.38385	3.1
652.44263	2.8
742.47498	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05025	0.4
56.75081	0.2
57.07074	0.8
58.06624	0.6
59.04568	0.2
59.07373	0.3
60.07886	0.4
60.08164	5.3
67.05496	0.8
68.30840	0.2
69.07060	0.2
71.07372	3.1
71.54573	0.2
71.54957	0.2
73.29199	0.2
79.05488	0.4
81.03427	0.3
81.07053	0.7
83.04986	1.4
85.24525	0.2
86.09706	27.0
93.07024	0.4
95.04970	0.2
95.08625	0.5
98.98462	2.4
104.10746	2.2
105.98901	0.2
107.08561	0.4
108.34113	0.2
109.10159	0.4
111.04414	1.3
112.04804	0.3
119.08527	0.2
121.10043	0.2
125.00007	18.2
131.08714	0.2
184.07341	100.0
185.07690	0.8
203.14571	0.2
209.60007	0.2
213.11021	0.2
239.42442	0.2
283.15430	0.4
335.25665	0.4
543.36578	0.4
650.43890	10.7
651.43573	0.4
722.45746	0.3
740.47028	6.4
741.46289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03860	2.1
55.01796	3.8
55.02092	1.2
55.05423	9.4
55.05717	2.2
57.03348	6.8
57.03657	1.8
59.04946	0.9
61.02849	1.0
67.05409	12.6
67.05800	1.6
69.03331	2.5
69.06971	4.4
70.06553	0.8
71.04893	3.8
71.54189	0.7
79.05387	18.0
81.03312	39.0
81.03838	3.8
81.06950	16.5
81.07465	1.5
81.73125	0.7
82.45462	0.7
83.04877	5.8
83.05408	1.3
83.08511	12.3
83.09060	1.3
85.02797	3.6
85.06452	1.6
86.09628	0.9
89.89354	0.6
91.05367	14.6
93.06931	15.4
93.07564	1.3
95.04858	18.1
95.05510	1.1
95.08493	8.5
97.02780	2.4
97.06528	4.1
97.07029	1.3
97.10056	14.2
97.10728	0.7
99.04370	0.9
99.07991	0.8
105.06909	12.2
107.04958	15.3
107.08595	11.4
109.02759	0.6
109.06516	13.4
109.07178	0.8
109.10144	6.9
111.04324	1.9
111.08099	5.1
117.07014	4.6
119.04832	1.4
119.08591	9.1
121.06514	9.6
121.10147	9.9
123.04311	1.0
123.08070	3.7
123.11572	1.1
125.05919	1.1
125.09628	13.6
127.03831	0.9
129.07013	6.6
131.04826	1.1
131.08566	10.6
133.06371	3.0
133.10136	5.7
135.08054	7.6
135.11566	2.2
137.05923	1.3
137.09540	1.5
139.11037	2.4
141.06891	1.2
142.07700	1.5
143.08412	2.6
145.06503	3.4
145.10121	4.9
147.04332	1.0
147.08083	3.3
147.11667	6.0
149.09602	5.7
153.08972	2.8
153.12665	0.8
155.08412	1.8
157.06392	1.0
157.10144	7.1
159.07927	1.9
159.11540	1.8
161.05905	1.1
161.09464	2.1
163.07448	0.7
163.11172	4.3
165.12645	1.0
167.08386	0.8
167.10555	1.6
169.10063	1.3
171.07954	1.6
171.10083	1.0
171.11584	1.7
173.09529	1.7
173.11726	0.7
173.13135	1.9
175.11197	5.1
177.12651	2.1
181.10092	1.1
184.07208	1.3
185.11621	1.0
185.13138	1.4
187.11122	1.6
188.44377	0.6
189.11119	5.6
189.12714	1.2
191.10568	1.0
191.14308	4.6
193.12254	15.9
195.11688	1.6
197.09518	1.2
197.13243	1.4
199.11121	1.5
199.13023	1.2
201.12743	1.4
203.14462	0.8
205.12131	1.9
211.13142	2.5
213.12624	0.8
215.14145	2.0
217.12178	1.0
219.11865	1.0
219.13800	12.5
223.13118	1.7
227.12640	2.3
227.14503	1.1
229.14195	1.1
231.13661	1.1
233.15401	4.2
235.13248	1.5
237.12784	1.3
237.14784	1.1
241.14302	1.3
245.15256	0.7
249.14755	1.3
255.13628	2.1
259.09747	0.7
259.15408	6.8
267.15918	41.3
269.15604	0.8
273.14835	6.2
275.16379	1.8
285.16730	2.1
287.16107	0.9
293.17505	5.6
301.16684	0.9
319.15143	0.7
339.23126	2.3
349.21658	4.0
357.24136	1.8
367.22729	13.2
385.23758	19.0
386.24005	0.8
403.24829	7.0
405.24521	0.8
433.25812	1.5
441.26294	8.9
451.27008	6.1
459.27417	98.6
460.27713	2.2
477.28494	100.0
478.28818	2.6
491.30060	9.6
495.29559	9.8
501.28442	2.4
509.31149	3.5
555.29688	1.1
567.29602	1.6
585.30347	0.9
621.32648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01880	7.2
55.05515	22.7
55.25850	0.6
57.03441	17.7
57.07077	4.3
59.04987	2.2
60.88708	0.7
61.02930	6.9
65.03928	2.4
67.05506	54.2
69.03423	3.2
69.06728	1.1
69.07071	14.0
70.79667	1.7
71.01349	0.9
71.04993	4.3
71.08611	1.0
73.02914	3.2
77.03926	1.2
79.05495	47.6
81.03422	11.1
81.07056	60.8
83.01341	7.2
83.04986	13.3
83.08163	1.0
83.08621	14.6
85.02914	10.4
85.06530	2.7
86.09682	2.2
91.03928	2.4
91.05484	26.8
93.07046	55.9
95.04974	7.9
95.08610	43.3
96.08956	0.7
97.02896	6.3
97.06527	6.5
97.10162	4.7
99.04451	2.6
99.08059	0.7
101.05955	0.7
103.05492	1.1
105.04496	0.8
105.07037	19.4
107.04958	6.5
107.08599	29.6
109.06517	8.0
109.10153	15.0
111.04420	3.6
111.08073	3.6
111.11723	0.8
115.05428	1.3
117.07021	11.8
119.08593	16.9
121.06503	2.6
121.10149	23.8
123.04365	0.7
123.08079	7.4
123.11708	4.7
124.99979	1.1
125.05977	1.6
125.09627	3.0
127.03886	1.9
129.07005	2.2
130.07788	1.9
131.08572	14.4
133.10135	9.3
135.08052	3.0
135.11697	20.2
137.09628	2.4
137.13245	1.7
139.07539	0.8
143.08557	1.6
145.10129	21.5
147.08043	2.3
147.11708	6.5
149.09604	0.9
149.13264	5.9
153.12729	2.9
155.08559	1.7
157.10185	1.1
159.11694	5.8
161.13199	4.2
163.11189	23.9
163.14819	3.4
165.12833	1.0
171.11713	1.6
173.09634	2.9
173.13283	4.4
175.14740	1.0
177.16383	1.2
181.12267	4.1
184.07365	5.4
184.28549	0.6
185.13341	0.8
187.14861	2.5
189.11198	2.1
191.10718	3.0
193.12209	0.8
199.15004	0.8
201.16385	1.1
209.11710	7.0
211.13269	1.1
219.67549	0.6
227.12801	11.2
243.21057	5.4
259.20645	1.6
261.22162	18.7
267.16003	1.4
273.22256	0.7
283.15405	97.9
284.15652	1.3
285.16785	0.8
297.22351	0.7
299.23804	3.9
306.28134	0.8
317.24823	5.9
333.24191	1.8
335.25809	100.0
336.26151	1.9
390.95398	0.7
393.55737	0.6
399.61099	0.7
423.33142	0.8
433.31079	1.7
451.31885	3.4
469.33353	3.3
487.34491	1.5
525.35626	4.1
543.36816	79.7
544.37207	3.5
561.37994	3.1
771.74060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.01875	2.9
55.05514	12.7
57.03445	6.8
57.07085	2.6
57.07296	0.5
58.06584	0.5
60.08134	1.7
61.02896	0.8
65.03912	2.3
67.05509	39.2
69.03410	1.0
69.07072	10.8
71.04990	2.6
71.07331	0.7
71.08607	0.6
71.54929	0.6
73.02892	1.1
79.05499	31.4
81.03394	1.6
81.07063	40.7
83.04987	4.6
83.08622	9.1
85.02854	1.5
85.06554	0.9
86.09718	6.6
91.04913	0.7
91.05486	13.4
93.07050	44.5
95.04468	0.6
95.04983	6.1
95.08613	45.9
97.02897	3.7
97.06543	2.8
97.10136	1.9
98.98463	0.9
99.04459	3.5
99.08057	0.6
103.05417	0.7
104.10741	0.6
105.04512	0.9
105.06413	0.9
105.07040	10.5
107.04978	4.7
107.08603	28.8
109.06544	2.4
109.09480	0.7
109.10165	11.2
111.04475	3.9
111.08054	1.3
112.04784	0.9
113.09512	0.5
114.51985	0.5
117.07018	7.6
119.08589	10.5
121.06512	4.1
121.10150	17.5
123.08040	1.3
123.11736	2.7
125.00008	4.8
125.05960	2.3
129.06967	0.7
130.07796	1.2
131.08578	4.6
133.10135	5.8
135.08031	2.0
135.11705	39.2
137.09525	0.5
137.13202	1.3
137.60672	0.5
139.07487	1.3
143.08568	0.8
145.10129	19.7
147.11682	2.7
149.13268	3.0
153.12659	0.8
159.11653	2.5
161.13252	1.6
163.11189	42.6
163.14807	1.1
165.29092	0.5
173.13280	1.7
175.14848	0.8
181.12257	7.1
184.07355	26.5
187.14864	0.8
195.10179	0.6
209.11710	1.6
227.12798	44.7
228.13071	0.5
243.21075	2.2
261.22116	5.9
283.15417	52.5
284.15933	1.0
306.27771	0.6
317.24869	2.5
333.24307	0.7
335.25821	100.0
336.26050	2.4
363.80408	0.5
399.86456	0.6
543.36847	75.1
544.37140	3.5
650.43866	2.3
740.46906	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01875	16.0
55.05271	2.4
55.05513	33.7
57.03440	26.9
57.07071	1.6
59.05001	6.8
61.02916	2.3
65.03920	3.4
67.05506	57.7
69.03434	7.7
69.07059	12.2
70.04202	1.6
71.01321	2.8
71.04991	9.9
73.02901	4.6
75.43225	1.3
79.05495	43.9
81.03421	100.0
81.06586	2.4
81.07058	36.4
82.04212	3.1
83.04982	19.6
83.08624	31.6
85.02515	1.4
85.02915	15.6
85.06535	4.5
86.09706	2.2
87.04465	7.7
91.03955	2.1
91.05488	33.3
93.07049	32.2
95.04977	36.9
95.08610	17.2
97.02901	11.0
97.06546	12.0
97.10177	16.2
98.07304	4.9
99.04449	3.8
99.08128	1.8
103.05453	1.8
105.04521	1.7
105.07038	27.0
107.04952	18.8
107.08601	21.3
109.02882	2.0
109.06493	7.9
109.10159	28.0
111.04437	13.6
111.08070	14.9
115.05404	2.1
116.04710	10.2
116.06143	1.9
117.05463	2.7
117.07027	7.8
119.04954	1.5
119.08578	24.2
121.02879	3.3
121.06545	9.0
121.10150	16.1
123.04426	3.3
123.08082	5.3
123.11694	2.0
125.06007	2.0
125.09629	20.1
127.03890	2.0
129.04532	1.6
129.05499	22.8
129.06989	12.4
131.08586	16.5
133.06488	6.3
133.10135	10.5
133.14627	1.3
135.04449	3.6
135.08046	5.5
135.11691	12.9
136.00359	1.3
137.09613	5.0
142.07809	2.3
143.07056	4.0
143.08568	3.0
145.06480	2.6
145.10126	9.3
147.04427	2.0
147.08046	4.0
147.11697	16.0
149.05992	1.8
149.09660	10.2
153.01825	2.1
153.09103	2.2
153.12746	22.3
155.08592	1.7
155.10779	1.9
157.08615	9.9
157.10132	15.2
159.11731	2.8
161.05920	1.6
161.09633	1.6
163.11186	23.1
165.09070	2.6
165.12781	4.0
169.10133	1.7
171.10210	4.5
173.09619	3.3
173.11736	5.9
173.13147	2.7
175.11194	14.8
181.12234	16.8
183.11671	3.3
184.07217	2.1
187.11249	1.6
189.11243	11.9
191.10655	11.5
193.12253	46.2
195.11836	1.8
199.13301	3.6
200.14116	3.4
201.12804	3.8
201.14777	3.0
205.12227	2.3
209.11745	11.3
211.13271	18.1
219.13795	4.3
223.13298	2.2
223.75066	1.4
227.10532	2.3
227.12784	48.3
229.12166	2.6
229.14316	26.0
231.13773	2.6
247.13315	27.0
249.14920	6.6
255.16014	2.3
259.13321	2.8
265.14307	3.2
267.15915	86.6
268.16226	2.7
273.14996	1.8
283.15378	25.1
285.17017	11.9
289.14383	1.6
301.16489	41.6
321.16977	9.5
339.18005	2.1
355.22830	3.1
383.22107	6.7
401.23148	5.3
421.25842	4.3
439.26740	9.4
457.25729	5.6
459.27545	1.8
475.27017	33.7
476.27667	3.2
493.27975	38.3
525.30237	3.8
571.67450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01878	9.4
55.05521	11.1
56.96570	1.3
57.03443	11.6
57.07062	2.4
59.05011	1.9
61.02928	2.7
64.61055	1.1
65.03938	3.3
67.05505	41.3
69.03432	5.2
69.07072	9.2
69.21551	12.2
69.29675	1.2
70.06593	1.7
71.04995	8.6
79.05495	38.8
81.03421	74.0
81.06594	2.1
81.07060	36.2
81.07535	2.2
82.03737	1.2
83.04981	19.2
83.08625	16.5
84.28102	1.1
85.02911	11.6
85.06554	6.1
86.09698	1.6
91.03977	1.5
91.05486	33.9
91.25597	1.1
93.07048	36.5
95.01334	1.7
95.04975	33.7
95.08604	17.6
97.02905	6.6
97.06519	11.8
97.10164	2.9
98.97579	1.1
99.04490	2.4
99.08101	1.3
103.05434	2.0
104.84400	1.3
105.01823	1.2
105.07037	18.7
107.04961	28.9
107.08598	19.4
107.23231	1.3
109.02895	3.0
109.06517	5.4
109.10166	10.3
111.04446	25.0
111.08077	11.1
111.11726	1.2
113.05945	1.4
115.05473	1.9
116.24274	1.1
117.07020	12.4
119.08580	23.1
120.08102	5.9
120.36495	1.2
121.06486	7.3
121.10150	32.2
123.04425	4.4
123.08074	4.3
123.11739	2.2
125.00035	1.4
125.05974	2.6
125.09647	4.9
127.03910	2.7
128.06239	1.2
129.05493	2.0
129.06989	11.1
130.07832	1.7
131.04968	3.3
131.08569	17.3
133.06461	5.7
133.10138	6.2
135.04376	1.9
135.08063	4.6
135.11699	24.4
137.06015	2.4
137.09619	2.6
139.07567	1.4
142.07794	2.9
143.08559	1.7
145.05182	1.1
145.06476	6.6
145.10127	33.7
146.84431	1.3
147.04338	1.6
147.08060	5.1
147.11674	8.6
149.09601	12.1
149.13188	1.2
151.07458	1.3
153.12756	12.6
155.08556	8.0
157.10103	8.7
159.11723	2.6
161.06012	3.9
161.09650	1.6
163.11180	44.2
164.11494	1.3
165.09154	1.7
165.12799	1.9
166.08647	4.1
171.08070	1.2
171.11749	1.2
173.09616	21.3
175.07555	1.1
175.11194	8.9
181.12234	18.5
183.67194	1.2
184.07327	5.5
184.26387	1.2
185.09637	1.1
185.30869	1.3
187.11250	1.4
191.10681	18.1
193.12233	23.6
197.09633	1.4
201.12961	1.3
209.11687	9.0
211.13304	5.0
227.12724	12.7
229.14339	2.3
241.14313	1.5
243.13857	2.2
249.14926	3.4
265.14359	32.4
267.15927	81.8
268.16278	2.4
271.13361	3.4
273.15039	2.0
283.15430	65.5
284.15729	1.7
285.17014	3.2
289.14255	2.1
299.15155	1.3
301.16473	69.1
309.17059	1.8
309.47369	1.2
337.21780	1.3
352.79681	1.4
355.22800	3.7
365.21063	3.5
373.23611	1.4
381.22913	1.5
383.22183	7.0
401.23239	3.3
419.24133	1.6
447.27350	7.0
457.25928	20.4
475.26938	85.5
476.27142	3.6
479.69153	1.3
493.27994	100.0
494.28400	3.2
507.29498	1.7
511.28821	1.5
517.27997	3.3
525.30383	2.3
535.28577	2.8
601.29791	3.3
717.05054	1.2
740.40997	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20486	0.1
56.05048	0.6
57.07085	0.2
58.06355	0.2
58.06626	0.4
60.08169	5.7
67.05499	0.2
69.58952	0.2
69.59356	0.5
70.06590	0.2
71.07378	2.9
72.60184	0.1
81.03432	0.2
83.80155	0.1
86.09711	28.6
87.10007	0.1
98.98470	3.2
104.03081	0.1
104.10744	2.2
125.00012	20.5
143.00970	0.1
178.83450	0.1
184.07350	100.0
185.07677	0.5
267.15790	0.1
287.69559	0.1
313.27319	0.2
456.83118	0.1
504.86945	0.1
520.09540	0.1
554.03577	0.1
625.39966	0.1
688.45477	10.4
689.45258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01878	7.4
55.02084	1.2
55.05270	1.8
55.05514	24.7
57.03437	18.4
57.07075	1.2
59.05004	32.9
61.02915	3.6
65.03941	1.9
67.05505	68.9
69.03426	4.4
69.07071	7.9
69.48570	9.5
71.01347	1.8
71.04983	9.6
72.08163	1.3
79.05074	1.9
79.05495	24.5
81.03419	15.6
81.07055	28.9
83.01337	6.5
83.04977	11.2
83.08619	17.0
85.02890	11.1
85.06540	3.9
86.09729	1.9
86.87110	1.3
87.04470	44.1
91.03933	1.8
91.05486	18.4
93.07046	25.2
95.04964	8.7
95.08611	18.2
97.02920	6.0
97.06516	5.2
97.10167	9.9
99.04461	9.6
105.07023	11.1
107.04967	7.4
107.08602	18.3
109.02866	2.0
109.06505	5.9
109.10159	50.8
111.04437	5.4
111.08070	3.3
113.05898	1.3
115.27032	1.3
117.07015	7.1
119.08592	12.4
121.06478	3.8
121.10167	7.0
123.08064	5.6
125.05970	2.2
125.09615	6.6
127.03873	1.5
128.53691	1.2
129.07040	1.8
130.07741	2.0
131.08565	4.4
133.10124	3.5
135.08055	3.4
135.11679	16.4
137.09598	4.6
145.10126	14.7
147.08017	2.3
149.09560	1.4
153.12766	2.4
155.10660	5.4
163.03839	1.7
163.11183	27.9
173.09575	2.9
173.11752	16.1
181.12216	4.7
184.07330	2.4
191.10680	3.6
193.12238	2.7
199.13297	8.7
209.11751	7.6
211.13341	2.3
227.12758	20.1
229.14349	60.8
241.14380	2.5
257.13928	1.7
259.09741	1.8
267.15869	5.4
283.15396	71.2
311.14755	3.5
315.17960	5.7
351.25323	1.4
407.24088	2.6
425.25507	9.3
437.25366	100.0
438.25455	2.1
459.27673	2.1
475.26550	1.7
509.27280	1.9
541.30023	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	738.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
54.01293	1.4
55.01854	5.9
55.05278	2.1
55.05512	28.6
55.86160	1.3
57.03186	1.9
57.03439	17.9
59.04717	1.7
59.05001	31.7
61.02913	4.7
65.03929	2.7
67.02368	1.3
67.05505	55.2
69.03416	6.2
69.07082	6.6
70.06574	1.2
71.04994	10.2
73.02895	3.4
79.05494	25.8
79.27025	1.3
81.03422	16.7
81.07053	30.7
81.66311	1.3
83.01337	5.5
83.04985	12.4
83.08162	1.4
83.08619	16.6
84.08177	1.6
85.02897	9.0
85.06534	4.1
86.09685	2.2
87.04473	40.6
89.79222	1.5
91.03938	1.9
91.05483	16.5
93.07050	21.4
95.04959	7.7
95.08615	12.4
97.02893	7.2
97.06533	6.8
97.10164	11.7
99.04473	13.2
99.08064	1.7
101.30881	1.2
105.07045	8.2
107.04971	9.9
107.08592	18.0
109.02847	2.5
109.06514	8.7
109.10158	44.0
111.04422	5.3
111.08057	3.7
117.07012	5.8
119.08578	11.1
121.06493	3.4
121.10136	7.4
123.08060	8.3
125.09643	11.6
127.03870	1.6
127.07533	1.7
129.06947	2.5
130.07710	1.7
130.94511	1.3
131.08549	5.9
133.10130	3.8
135.08018	1.7
135.11688	10.6
137.09619	3.6
143.08560	2.1
145.10129	15.3
147.08040	3.9
147.11705	2.1
149.09637	2.1
153.12709	4.6
155.10640	3.3
163.11182	22.4
173.09604	3.7
173.11743	14.1
175.11157	1.6
181.12230	4.1
184.07304	2.7
184.12178	1.3
191.10602	4.0
193.12366	2.0
199.13281	8.1
209.11684	11.0
223.13171	2.3
227.12828	9.4
229.14346	53.8
241.14417	3.5
265.14355	1.6
267.15955	6.5
283.15402	80.9
285.16824	2.1
311.14853	4.6
315.17953	6.1
381.98758	1.4
407.24283	4.1
425.25397	16.2
437.25375	100.0
459.27155	3.5
477.28171	2.4
491.25833	2.4
501.94858	1.5
523.29089	3.0
541.29712	5.4
558.35120	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	737.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01864	5.1
55.05516	33.2
56.23137	2.0
57.03437	9.2
57.07072	3.0
59.05016	2.5
61.02922	16.5
67.05506	53.2
69.03434	13.7
69.07071	24.1
70.02959	3.0
70.06594	70.6
71.01333	2.5
71.04997	10.9
71.53698	2.3
72.08147	7.5
73.02917	7.9
77.42908	2.0
79.05492	39.0
79.31177	2.0
80.02472	2.2
81.03407	18.2
81.07059	47.1
83.04973	9.8
83.08617	12.8
84.04487	7.1
84.08140	6.4
85.02920	19.8
85.06533	3.0
86.09711	95.2
87.05593	4.4
87.10036	5.7
89.46021	2.0
91.03948	7.2
91.05486	39.7
93.07049	40.4
95.04969	9.5
95.08614	34.1
97.02895	18.4
97.06524	6.4
97.10178	16.5
99.04504	2.1
99.08084	5.0
101.02402	2.4
101.07143	2.4
103.05496	2.7
105.07035	36.7
107.04967	5.0
107.08595	23.2
109.02863	4.4
109.06506	3.6
109.10162	21.8
111.04439	5.2
111.08086	6.1
115.05489	3.7
116.98566	2.3
117.07031	22.2
119.08592	29.7
120.08104	20.5
121.06496	3.3
121.10148	17.8
123.08104	10.5
123.11695	5.2
125.09603	13.3
127.03911	4.6
128.06229	5.8
129.07008	16.0
129.10220	2.6
130.06509	5.7
131.08572	30.2
132.08101	5.0
133.06483	3.5
133.10127	20.6
135.08061	5.3
135.11693	8.1
137.09581	2.9
141.06967	6.6
141.10229	14.1
142.07751	5.3
142.10573	2.3
143.08568	20.5
145.06516	2.8
145.10124	28.4
147.08067	5.7
147.11719	10.3
149.09608	2.9
149.13217	5.5
151.11226	4.4
153.12750	2.7
155.08556	14.9
157.10138	22.0
159.08112	4.0
159.09195	12.5
159.11707	23.3
161.09596	5.5
161.13280	7.1
163.11150	4.4
167.08565	8.0
169.09967	23.5
170.09857	2.2
171.11667	16.4
173.09599	3.6
173.13283	9.7
175.11148	4.2
181.10162	10.2
183.11725	14.0
183.14908	8.3
184.07333	4.2
185.13177	13.8
187.11153	2.5
187.14828	5.3
189.11243	5.4
189.12767	2.5
195.11647	10.5
197.13284	10.1
199.11160	2.5
199.14838	4.6
200.14035	2.9
201.16345	2.7
207.11816	2.7
209.13312	5.9
211.14519	8.4
213.12721	3.0
213.16370	3.8
221.13303	3.0
223.14890	5.8
227.12799	8.6
235.14888	4.9
255.17447	2.3
258.15878	2.8
259.20483	2.7
262.11835	2.9
267.08984	4.2
273.18668	4.4
280.10172	2.2
282.18381	2.7
283.20682	5.7
285.22162	5.9
291.19492	4.8
297.22278	2.9
299.23679	8.6
306.04236	2.4
325.22043	3.8
351.22891	2.8
433.31104	20.4
443.27884	4.7
447.27496	2.7
451.32181	13.2
461.29199	2.7
465.33850	2.7
469.33130	9.1
481.32693	2.4
492.25229	2.7
499.33798	3.0
507.28006	2.4
507.34644	13.6
515.37592	2.6
517.35492	15.7
525.35760	79.5
526.35950	3.3
539.37170	3.7
543.36859	100.0
557.38458	23.1
575.39404	30.1
679.40521	2.6
687.40619	3.4
705.41901	3.3
737.33203	3.5
737.44696	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	730.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.2
56.05019	0.7
58.06608	0.5
60.08164	5.9
64.24937	0.2
67.05490	0.8
69.03443	0.2
69.07050	0.2
70.54484	0.7
71.07373	3.7
79.05492	0.6
81.07081	0.3
83.04985	0.6
86.09705	30.9
93.07087	0.2
95.08613	0.5
98.98468	2.9
104.10752	2.4
107.08556	0.3
109.06541	0.2
109.10195	0.3
111.04435	0.5
124.98663	0.3
125.00006	19.3
184.07343	100.0
185.07680	0.4
264.08362	0.2
273.16754	0.2
276.51205	0.2
382.07178	0.2
730.46594	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	731.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57096	0.3
55.05512	0.8
56.96581	0.4
57.03400	0.4
57.07073	0.6
57.50209	0.3
58.09636	0.4
60.60990	0.3
61.02928	1.0
67.05505	1.7
69.03433	1.2
69.07096	0.4
69.35531	1.1
69.35952	2.0
73.02908	0.7
79.05503	1.1
81.03423	1.3
81.07048	2.9
83.04993	0.9
83.08604	0.8
85.02915	2.2
85.06556	3.3
91.03958	0.7
91.05485	1.0
93.07046	1.3
95.04985	0.4
95.08626	1.9
97.02891	1.0
97.06550	0.8
105.07053	1.2
107.08620	1.5
109.06483	0.5
109.10172	1.5
119.08581	1.1
121.10178	1.4
125.05978	0.6
127.03906	0.5
133.10165	1.2
135.11711	0.6
137.05977	0.6
139.03937	0.7
145.10152	0.5
147.11746	0.9
149.09647	0.7
149.13258	0.4
153.05478	0.8
161.13255	0.6
163.14925	0.4
175.11211	0.5
177.05586	0.4
185.04298	0.5
203.05334	1.7
219.10518	0.3
253.12871	0.5
259.07858	1.9
267.09256	0.4
285.10251	0.5
325.99295	0.4
331.10010	0.4
345.24350	0.6
347.09479	1.5
365.10498	2.9
393.27933	0.5
407.24078	1.7
411.28986	1.9
421.13403	1.5
429.30109	3.8
431.18704	0.4
447.30914	2.3
457.20453	3.5
465.31909	1.0
469.20325	0.6
470.21033	0.5
471.21973	4.9
487.21762	1.1
503.23651	1.2
569.29327	15.2
570.30316	0.5
619.26038	0.8
633.27057	1.3
641.31329	1.3
731.34894	100.0
732.34973	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	730.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.1
56.05038	0.7
58.06625	0.5
59.07395	0.2
60.08165	6.5
67.05495	0.3
69.07108	0.1
69.78405	0.5
70.06596	0.2
71.07372	3.5
79.05492	0.2
81.07063	0.3
83.04964	0.1
84.08187	0.1
85.02899	0.2
86.09708	30.8
86.70962	0.1
91.05463	0.2
93.07027	0.1
98.98469	3.4
104.10745	2.3
105.07037	0.1
111.04459	0.1
114.79851	0.1
125.00007	21.1
143.01093	0.1
166.02750	0.1
178.24361	0.1
184.07343	100.0
185.07697	0.6
229.63777	0.1
398.41483	0.1
468.23111	0.1
468.58197	0.1
497.55951	0.1
521.70630	0.1
551.60895	0.1
712.47296	0.1
730.46484	5.9
731.30487	0.3
731.46265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82680	0.2
53.03946	0.6
55.01882	0.3
55.05517	0.9
56.96561	0.3
57.03446	1.8
59.05005	0.4
61.02934	3.4
67.05508	2.3
69.03429	2.2
69.07066	0.9
70.98275	0.6
71.01351	0.4
71.04999	1.4
73.02923	2.9
79.05502	2.6
83.04997	0.6
83.08636	1.4
85.02912	5.2
85.03431	0.3
87.04462	0.6
91.03961	2.5
91.05482	3.3
93.07042	1.9
95.04977	1.7
95.08610	1.3
97.02906	3.0
97.06551	0.6
97.10156	0.3
97.18176	0.3
98.97616	0.4
99.04478	0.7
99.98154	0.3
101.02398	1.2
103.03985	0.5
105.07037	2.2
107.04961	0.6
107.08616	1.3
109.02895	0.7
109.06547	0.4
109.10178	0.6
111.04457	0.4
111.08062	0.8
115.03928	0.4
119.08563	1.7
121.06545	0.3
121.10154	1.4
127.03947	1.5
129.07045	1.1
131.00182	0.3
131.08601	1.4
133.10129	1.7
142.03665	0.3
147.11694	1.8
147.33902	0.3
149.09657	1.8
156.59180	0.3
157.10124	1.5
163.11212	0.3
164.30804	0.2
175.11177	1.4
185.04272	0.5
193.12263	2.9
203.05336	0.5
211.13333	1.0
225.14897	0.5
243.08459	2.2
251.12587	1.3
267.09161	0.3
267.16077	0.7
283.15219	4.0
307.15109	0.7
325.12433	0.4
325.62439	0.5
339.17981	1.0
374.16132	0.4
374.66455	0.8
375.16806	0.4
469.20511	10.2
501.23102	11.0
502.24112	0.3
562.62115	0.3
567.31348	0.7
639.29431	0.4
729.36700	100.0
730.36987	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	728.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.05498	0.2
56.05040	0.6
57.03424	0.1
58.06359	0.2
58.06619	0.4
59.07390	0.2
59.32299	0.1
60.03907	0.1
60.08167	6.4
67.05490	0.3
69.03422	0.2
69.27171	0.5
69.27614	0.6
70.06604	0.1
71.07380	3.6
79.05497	0.3
81.03390	0.1
81.07051	0.4
83.04986	0.4
86.09709	32.4
87.10022	0.1
91.05491	0.2
93.07040	0.4
95.04909	0.1
95.08585	0.1
95.93697	0.1
97.02921	0.2
98.20721	0.2
98.97756	0.2
98.98470	3.3
104.10750	2.3
109.10127	0.1
111.04431	0.3
119.08588	0.2
125.00011	21.8
131.08609	0.1
143.01085	0.2
166.02733	0.2
184.07346	100.0
185.07671	0.5
219.01686	0.2
268.08801	0.1
294.59753	0.1
468.23944	0.2
491.15939	0.3
493.03192	0.1
593.22980	0.2
728.45007	5.8
729.44684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.3
56.33113	0.2
56.96566	0.3
57.03442	0.3
57.10314	0.2
57.91811	0.3
59.05024	0.3
61.02934	0.6
67.05493	0.7
69.03421	0.6
69.07071	0.8
69.50498	1.0
69.50906	0.8
71.04990	0.2
72.41064	0.3
73.02914	0.4
79.05489	0.9
81.07069	0.8
83.04987	0.2
85.02907	0.9
86.09713	0.5
91.05480	0.3
93.07024	0.4
95.04998	0.7
95.08620	0.5
97.02884	0.4
97.06551	0.6
98.97617	0.3
105.07017	0.4
107.08624	0.5
109.10152	0.4
121.10181	0.4
127.03918	0.2
133.10143	0.4
137.09566	0.3
147.11673	0.3
156.03987	0.3
156.05318	0.3
157.10008	0.3
182.67610	0.3
184.07404	0.3
185.04239	0.9
199.40317	0.3
201.03812	0.9
203.05289	2.0
224.08090	0.3
235.80525	0.2
241.06856	0.3
243.08336	0.3
244.09686	0.3
259.07867	2.8
275.07596	0.3
293.13303	0.6
321.65405	0.3
329.08478	0.3
331.10147	1.1
331.18625	0.4
347.09607	1.6
355.15524	0.3
363.09048	0.6
365.10544	3.4
373.15121	0.5
373.65213	0.3
387.16531	0.4
405.22479	2.9
413.17673	0.3
421.13181	2.0
431.19101	0.4
457.20401	0.3
469.20319	1.8
489.66901	0.3
493.15402	1.1
497.20425	0.4
501.23218	0.3
503.23380	0.4
549.20831	0.3
567.27802	16.5
568.27869	0.5
631.26166	0.7
639.28687	0.3
712.21240	0.3
729.33154	100.0
730.33502	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.6
58.06606	0.3
60.08166	6.7
65.02973	0.2
67.05504	0.5
70.06598	0.2
71.07373	3.7
71.76244	0.2
79.05501	0.3
81.07040	0.4
83.04953	0.2
86.09707	30.3
93.07041	0.2
95.08647	0.2
98.39885	0.2
98.98462	2.9
104.10744	2.0
105.06966	0.2
125.00004	20.6
166.02606	0.2
172.97929	0.2
175.76630	0.2
178.45804	0.2
184.07341	100.0
185.07733	0.5
199.28291	0.2
202.34146	0.2
230.19861	0.2
612.87787	0.2
656.12274	0.2
728.33313	0.3
728.45050	4.7
729.44678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05034	0.8
57.03469	0.1
57.07071	0.1
58.06363	0.2
58.06627	0.4
60.08166	6.4
65.08214	0.1
67.05499	0.4
69.16535	0.1
69.87827	0.4
70.06559	0.2
71.04982	0.1
71.07378	3.4
79.05512	0.2
81.03396	0.2
81.07061	0.2
83.04982	0.5
85.02883	0.1
86.09708	31.1
87.10059	0.2
91.05483	0.3
93.07047	0.2
95.04942	0.1
95.08654	0.2
96.65228	0.1
97.02920	0.2
98.66741	0.1
98.98463	3.2
104.10747	2.3
107.08589	0.1
111.04431	0.3
125.00008	20.6
143.01076	0.1
157.09065	0.1
157.72594	0.1
163.11247	0.1
163.65468	0.1
174.49521	0.1
181.12308	0.3
184.07344	100.0
185.07764	0.5
219.01779	0.1
382.98737	0.1
428.64169	0.1
460.62921	0.1
468.23471	0.3
483.81635	0.1
491.16373	0.2
567.80835	0.1
593.22424	0.2
602.23456	0.2
728.44922	6.2
729.45001	0.2
742.46924	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	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.6
58.06606	0.3
60.08166	6.7
65.02973	0.2
67.05504	0.5
70.06598	0.2
71.07373	3.7
71.76244	0.2
79.05501	0.3
81.07040	0.4
83.04953	0.2
86.09707	30.3
93.07041	0.2
95.08647	0.2
98.39885	0.2
98.98462	2.9
104.10744	2.0
105.06966	0.2
125.00004	20.6
166.02606	0.2
172.97929	0.2
175.76630	0.2
178.45804	0.2
184.07341	100.0
185.07733	0.5
199.28291	0.2
202.34146	0.2
230.19861	0.2
612.87787	0.2
656.12274	0.2
728.33313	0.3
728.45050	4.7
729.44678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01873	0.4
55.05502	1.2
57.03436	1.8
59.04990	0.8
59.87361	0.2
61.02932	3.8
67.05504	2.3
67.71746	0.2
69.03426	2.4
69.07079	0.5
70.44649	0.8
71.01365	0.5
71.04990	1.5
73.02920	2.9
73.45044	0.2
78.30038	0.2
79.05500	2.5
81.03422	3.8
81.07062	2.2
83.01340	0.4
83.04990	1.0
83.08619	1.0
85.02907	4.5
85.06538	0.4
86.09717	0.3
87.04491	0.5
91.03962	2.4
91.05482	2.5
92.71911	0.2
93.07051	1.7
95.04966	1.7
95.08608	0.8
97.02900	3.5
97.06525	1.0
97.10147	0.3
99.04446	0.7
101.00922	0.2
101.02400	1.5
103.03954	0.5
105.07040	1.8
107.04975	0.8
107.08588	1.4
109.02910	0.6
109.06520	1.0
109.10159	0.4
111.04445	0.6
111.08127	0.5
113.90012	0.2
115.03931	0.3
117.07008	0.4
119.08597	1.4
121.10146	2.1
123.08085	0.6
127.03936	1.1
129.05484	0.4
129.07005	0.5
131.08574	1.1
133.10133	0.9
135.11717	0.9
137.09583	0.3
145.05019	0.3
145.10092	1.5
147.11699	0.9
149.09604	1.6
157.10135	1.0
163.11195	1.7
165.09137	0.5
173.09691	0.3
175.11227	0.7
184.07343	0.4
185.04288	0.5
193.12283	1.3
203.05339	0.4
207.13869	0.2
209.11803	0.6
211.13330	0.3
225.14931	0.5
241.06697	0.3
243.08403	2.6
243.10782	0.3
249.10965	0.5
249.14882	0.3
267.16040	1.0
283.15176	4.1
295.15396	0.3
305.13739	0.4
339.17883	0.9
448.27917	0.3
467.18900	9.0
468.19379	0.4
469.20520	0.5
501.23074	10.0
502.23346	0.4
565.29712	0.6
594.17407	0.3
727.35107	100.0
728.35388	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	727.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01862	0.7
55.05513	1.3
56.96569	0.5
57.03432	1.1
59.04994	0.5
61.02927	3.8
65.94270	0.3
67.05509	3.6
69.03439	2.3
69.07065	1.0
71.04983	2.0
73.02906	2.0
79.05499	3.0
80.25961	0.4
81.03416	4.1
81.07053	3.0
83.01305	0.4
83.04993	1.2
83.08617	1.4
85.02905	4.0
85.06552	0.4
86.09718	0.8
87.04455	0.6
91.03967	2.1
91.05481	3.5
93.07044	3.0
95.04977	1.7
95.08607	2.3
97.02895	3.2
97.06537	1.6
98.20763	1.0
98.97593	0.4
99.04454	0.8
101.02393	1.2
105.07019	2.0
107.04968	0.8
107.08572	1.6
109.02914	0.8
109.06537	0.6
109.10184	0.7
111.04473	1.0
111.08109	0.5
115.03890	0.3
117.07040	0.8
119.08599	2.0
121.06539	0.5
121.10106	2.3
125.00024	0.7
127.03951	1.3
129.06989	0.6
131.08578	1.5
131.70810	0.3
133.10115	1.8
135.11700	2.3
145.10136	1.6
147.11771	1.4
149.09647	1.7
157.10201	1.2
163.03940	0.7
163.11200	3.3
175.11227	0.9
175.90443	0.3
181.12260	0.8
184.07373	2.3
185.07716	0.8
193.12334	1.5
197.15421	0.5
208.81001	0.3
211.13284	0.6
215.07175	0.4
225.14944	0.5
227.12802	2.5
239.11739	0.4
243.08482	2.1
249.10970	4.8
253.14363	0.4
259.09686	0.5
267.09100	0.4
267.16058	0.9
269.12259	0.5
281.13593	0.6
283.15207	2.8
284.15695	0.4
305.13647	1.2
339.18063	0.6
448.27789	0.4
467.18912	10.4
469.20715	1.3
479.30106	0.8
483.21964	0.5
499.21704	0.8
501.23026	11.9
565.30035	0.7
727.35132	100.0
728.35657	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05037	0.6
58.06375	0.2
58.06633	0.4
59.07402	0.2
60.08165	6.3
60.45114	0.1
67.05501	0.3
71.07369	3.6
75.68754	0.1
79.05500	0.4
81.07047	0.4
83.34638	0.2
86.09708	32.1
87.10038	0.4
93.07071	0.3
98.98470	3.4
102.15713	0.2
104.10748	1.7
107.08555	0.3
125.00008	20.4
126.47849	0.2
145.10065	0.3
160.94940	0.2
166.02702	0.2
184.07346	100.0
185.07729	0.8
186.07687	0.2
187.25987	0.2
205.03741	0.2
232.82593	0.2
339.28476	0.2
364.71118	0.2
559.10498	0.2
726.43433	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	727.2082
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01866	0.2
55.05498	0.3
56.53162	0.1
57.03436	2.3
59.05001	0.3
61.02929	1.1
65.03940	0.2
67.01878	0.1
67.05473	0.1
68.99800	0.4
69.03432	4.2
69.19323	0.2
69.19736	0.9
71.01348	0.2
71.04996	8.5
73.02919	0.7
75.04488	0.5
76.49668	0.1
79.05500	0.2
81.03415	0.6
83.01338	0.2
83.04987	1.6
85.02909	13.1
87.04463	2.1
91.03947	0.7
91.05441	0.1
95.04954	0.5
96.35708	0.1
97.02895	5.0
97.03527	0.2
97.06548	0.1
98.32430	0.1
99.04440	0.9
100.78140	0.1
101.02379	0.1
105.03384	0.3
107.05006	0.3
108.29151	0.1
109.02887	0.3
111.00799	0.6
111.04440	1.3
113.02371	0.2
113.06053	0.2
114.23167	0.1
115.03933	3.7
116.85369	0.1
117.05464	0.2
117.10030	0.1
121.02859	1.9
121.60480	0.1
123.04478	0.2
125.02391	0.1
125.06000	0.1
126.32798	0.1
127.03913	0.8
129.05484	3.4
129.06403	0.2
133.02843	0.3
133.04970	2.7
135.04448	0.2
137.02309	0.7
137.05991	0.2
139.03934	0.3
141.07016	0.1
143.07037	0.1
145.05031	0.7
145.05960	0.1
147.04477	0.5
147.06522	1.7
149.04407	0.2
151.03906	0.2
153.01830	2.7
153.05452	0.2
157.04924	0.1
157.06493	0.2
163.03839	0.1
163.06018	0.2
165.01860	1.3
169.04976	0.2
171.06541	0.4
179.07034	0.3
183.02913	0.7
185.05896	0.2
189.05525	0.1
189.07536	0.1
195.06517	0.1
197.06007	0.2
207.06561	0.4
213.05484	0.9
220.01605	0.1
224.70935	0.1
225.07622	0.7
231.06522	0.3
241.04938	0.6
243.06438	0.2
243.08649	0.7
246.10390	0.1
255.08698	0.2
258.05258	0.7
259.06079	0.3
261.09735	1.1
269.04568	0.1
279.10742	0.3
287.05502	100.0
288.02972	0.2
288.05838	1.8
295.10269	0.2
299.05536	0.5
325.06836	0.1
329.06534	0.5
353.06500	0.3
367.08231	0.1
383.07553	0.1
395.07758	0.2
419.09738	0.2
431.09634	0.3
449.10886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01878	6.9
55.05268	1.3
55.05515	17.4
56.96577	1.8
57.03445	18.4
57.07078	1.6
59.04998	1.2
61.02935	13.8
65.03933	1.9
67.05509	56.7
68.05876	1.1
69.03436	9.3
69.07074	25.5
71.01346	1.6
71.04992	7.2
71.54314	1.1
73.02920	5.5
79.05497	39.5
80.05843	1.1
81.03420	30.1
81.07062	66.7
82.03749	3.0
82.07414	1.5
83.04991	12.6
83.08627	16.4
85.02908	23.7
85.06546	3.6
86.09704	3.5
87.04481	2.1
91.03970	10.2
91.05483	32.6
93.07050	51.3
94.07369	1.6
95.04983	14.8
95.08615	24.1
96.12369	0.9
97.02900	12.2
97.06531	17.4
97.10179	7.7
98.97591	1.5
99.04454	2.0
99.08086	4.0
103.03942	2.2
103.05492	1.0
105.07041	28.2
107.04955	8.0
107.08603	31.8
108.08971	1.1
109.02895	2.4
109.06535	7.9
109.10166	12.7
111.04459	2.3
111.08096	7.0
113.06039	1.2
115.05471	1.4
117.07024	11.5
119.08592	21.3
120.08923	2.1
121.06511	3.8
121.10146	15.9
123.04450	1.4
123.08090	4.1
123.11706	3.6
125.00053	1.3
125.06075	1.0
125.09639	6.1
127.03956	6.2
129.05490	1.3
129.06963	5.7
131.08574	20.0
133.06490	2.7
133.10129	23.1
135.08025	5.2
135.11710	18.0
137.09648	3.2
141.07031	1.6
142.07820	2.2
143.08539	2.4
145.04971	3.8
145.06494	1.2
145.10133	16.5
145.11171	1.7
147.08047	2.4
147.11678	11.2
149.09625	10.8
149.13274	15.4
151.11263	1.3
157.10162	5.8
157.55278	1.1
158.10614	1.3
159.08182	1.7
159.11708	25.6
161.13246	4.9
163.06090	5.8
163.11232	7.6
165.12782	2.6
169.10193	2.3
171.10201	1.7
171.11670	2.8
173.04509	2.5
173.11787	2.5
173.13260	6.1
175.11189	5.0
177.12759	22.5
179.10648	1.1
179.14325	6.5
181.12230	3.3
183.11748	1.4
184.07333	12.2
185.13005	1.0
189.11226	2.8
189.12769	1.3
191.10612	1.1
193.12267	7.8
194.12654	2.8
195.13820	7.3
197.13394	2.3
211.13301	4.1
227.12735	3.2
229.14311	6.3
229.19447	1.3
233.15378	1.6
239.18007	4.1
245.13777	2.5
247.20604	2.3
251.16479	6.1
255.15926	42.6
257.19012	7.2
267.09067	3.4
267.15930	11.5
268.16330	7.8
269.17502	100.0
270.17880	1.6
275.20078	24.2
283.15579	1.5
285.10150	6.5
285.16989	3.1
286.17120	1.2
287.17538	1.3
293.21027	2.7
309.20779	1.8
331.22726	1.4
339.17792	1.8
349.23743	68.5
350.23938	1.6
367.24811	25.4
369.23364	1.3
373.16788	2.3
374.16037	1.4
377.19019	1.2
386.24118	1.3
389.17868	1.3
413.21722	4.8
417.20905	1.4
419.24402	1.3
431.22580	1.6
433.25885	1.2
435.26248	1.3
459.27731	2.8
460.27969	5.5
461.27997	9.4
472.65808	1.1
475.26627	2.0
478.28702	3.1
479.29611	5.5
493.27966	3.5
511.29004	9.0
529.30072	1.4
630.74670	1.1
682.31158	1.6
726.30432	6.4
727.33368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01873	7.7
55.05511	16.3
55.92875	0.9
57.03436	15.9
57.07077	1.2
61.02929	13.8
65.03923	1.0
65.50519	0.9
67.05507	43.8
69.03426	9.7
69.06738	1.4
69.07072	20.7
69.96301	2.4
71.01360	1.3
71.04996	6.3
71.41652	0.9
73.02925	4.4
77.03926	1.3
78.13786	1.0
79.05019	1.1
79.05494	35.6
81.03426	16.5
81.07060	59.8
82.03748	1.6
83.04984	9.9
83.08620	11.1
85.02910	18.2
85.06537	3.6
86.09689	3.2
87.04459	0.9
88.38528	1.1
91.03963	8.1
91.05483	28.3
93.07047	43.1
95.04980	9.0
95.08614	20.2
97.02895	10.7
97.06535	17.1
97.10151	5.9
98.20779	1.2
99.04418	2.8
99.08083	4.2
101.02340	1.1
103.03993	1.0
105.07034	20.0
107.04957	6.7
107.08599	27.8
108.08922	1.2
109.02877	3.5
109.06530	6.1
109.10158	11.2
111.04439	2.1
111.08098	5.6
112.86895	1.0
113.06055	1.5
115.05420	1.5
117.07014	11.2
119.08580	17.7
121.06500	3.4
121.10147	13.3
123.08068	3.8
123.11680	3.2
123.54443	1.1
124.99983	2.5
125.06066	0.9
125.09649	4.6
127.03891	6.1
129.05510	1.5
129.06990	4.4
131.08591	14.7
133.06491	1.5
133.10144	16.7
135.08052	3.3
135.11702	18.6
137.09598	3.4
143.08557	2.8
144.18292	0.9
145.04930	3.2
145.06534	1.3
145.10135	12.6
147.08064	1.7
147.11702	10.9
149.06123	0.8
149.09621	9.4
149.13263	15.1
151.11226	1.9
151.51108	0.9
155.08606	1.9
157.10104	5.1
158.10477	0.9
159.11708	20.1
161.09624	1.0
161.13223	3.1
163.06055	3.2
163.11176	7.9
165.12666	1.4
169.10104	1.7
171.10204	1.4
171.11664	2.2
173.04497	2.9
173.11833	1.8
173.13277	5.6
175.11192	2.3
175.14702	1.1
176.11497	1.1
177.12758	22.9
179.14323	6.6
181.12196	1.7
183.11681	1.6
184.07343	11.2
187.11227	1.1
189.11220	1.7
193.12227	3.3
195.13818	7.0
197.13335	1.3
205.12106	1.0
211.13225	1.8
213.14691	1.1
227.12793	3.0
229.14366	6.9
229.19470	1.5
239.17995	2.6
245.13847	1.9
247.20560	2.8
251.16342	5.2
255.15918	43.6
255.18604	2.1
257.19070	6.1
267.09116	2.8
267.15994	6.4
268.16290	3.9
269.17487	100.0
270.17856	1.1
275.20084	18.0
285.10040	3.0
285.16898	2.1
293.21078	2.9
309.20700	1.8
331.22986	1.5
339.17908	1.1
349.23755	63.2
350.23926	1.7
364.16519	1.1
367.24805	23.9
380.17657	1.4
389.18143	1.8
395.20819	1.3
412.80902	1.0
413.21735	5.3
417.21082	1.4
431.23041	1.7
437.25125	1.6
459.27225	1.5
461.27902	2.7
475.27106	1.8
477.28461	1.3
479.29205	2.9
483.16034	1.2
493.27615	2.6
511.29196	7.8
529.29736	2.1
726.30695	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	726.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.0
53.03933	7.2
55.01865	7.9
55.05515	26.1
57.03438	26.8
57.07064	3.0
61.02652	2.8
61.02930	34.6
61.16409	1.9
61.91714	2.1
65.03940	4.4
67.05507	68.1
69.03435	18.1
69.07072	37.0
69.22837	17.5
69.23249	4.1
70.06596	2.9
71.01366	2.8
71.04993	8.9
73.02923	15.6
77.03910	2.4
79.05494	77.1
81.03423	19.3
81.07056	93.9
83.04969	18.2
83.08612	20.5
85.02911	54.4
85.06548	6.1
86.09714	4.6
91.03960	27.9
91.05482	69.6
93.07049	98.9
95.04988	14.5
95.08614	43.1
97.02895	33.1
97.06531	22.4
97.10152	5.8
98.20782	3.2
98.76421	1.9
99.04472	5.1
99.08091	8.3
100.38457	2.2
103.03931	3.1
105.07035	55.4
107.04927	5.4
107.08601	53.1
109.02891	5.3
109.06520	5.9
109.10149	21.2
111.08082	9.1
115.03943	2.8
117.07021	23.1
119.07808	4.4
119.08591	44.6
121.06484	5.5
121.10144	39.5
123.08067	6.2
123.11677	5.7
124.99946	3.9
125.09603	5.1
127.03928	19.0
129.05518	5.1
129.07030	11.0
131.08569	34.7
131.09515	2.8
133.10136	43.6
135.08075	4.2
135.11703	32.1
137.09549	3.6
139.11243	2.7
143.08597	11.1
145.04955	15.4
145.10130	21.2
147.08032	3.5
147.11697	37.5
149.09634	15.3
149.13268	27.8
151.07585	2.5
153.09033	3.6
155.08496	3.4
157.10143	9.8
159.11696	27.8
161.09578	4.0
161.13271	22.8
163.06027	9.8
163.11180	8.9
163.14880	4.3
165.09140	7.8
169.10091	5.5
171.11668	10.4
173.04445	3.6
173.11961	2.7
173.13231	13.4
174.60255	2.1
175.11203	3.3
175.14819	10.6
177.12741	13.8
179.14375	5.2
183.11600	2.8
184.07344	9.5
185.13216	7.5
187.14789	4.3
189.11121	2.5
195.13815	12.5
199.14876	4.9
201.12746	2.7
206.00620	2.3
215.06999	2.7
217.15916	3.0
229.14490	3.2
229.19533	2.6
241.19492	13.9
255.15901	5.3
257.19073	3.6
259.09821	3.4
259.20590	41.1
267.15839	3.3
269.17487	91.8
270.17941	2.7
275.20087	17.2
277.21622	5.0
281.17557	4.4
293.21109	5.0
333.24298	8.8
349.23785	31.0
351.25308	100.0
367.24847	4.6
413.82257	2.4
459.27719	5.5
477.28537	3.1
495.29642	7.9
588.36682	2.4
673.34698	2.6
726.34515	8.1
727.32294	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	724.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.1
56.05043	0.5
57.07072	0.2
58.06638	0.4
60.08168	5.7
67.05508	0.5
69.07078	0.2
70.92641	0.3
71.07374	3.0
79.05495	0.3
81.03423	0.3
81.07060	0.4
83.04992	0.2
86.09709	26.9
87.10046	0.3
91.05472	0.2
93.07042	0.3
95.04988	0.1
95.08616	0.2
98.98464	2.4
104.10744	2.0
105.07056	0.2
107.08605	0.1
109.10169	0.1
111.04419	0.2
119.08601	0.1
125.00011	17.3
131.08562	0.1
131.44218	0.1
133.10062	0.1
143.01077	0.2
163.11200	0.1
166.02693	0.2
176.39917	0.1
184.07347	100.0
185.07742	0.8
186.07805	0.2
195.15494	0.1
226.68246	0.1
305.70419	0.1
335.25589	0.1
496.33981	0.2
688.45483	9.6
689.45111	0.4
706.45947	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	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
55.05265	1.0
55.05514	10.6
57.03438	13.2
58.81688	0.7
59.05035	0.6
61.02907	1.0
65.03929	1.3
67.05505	19.2
69.03429	4.1
69.07072	6.5
70.77908	1.8
71.04997	3.9
73.02913	0.6
79.05498	20.1
81.03419	87.2
81.06587	1.3
81.07060	20.8
82.03766	0.7
83.04972	9.8
83.08621	23.4
85.02904	11.7
85.06540	1.3
91.05482	22.4
93.07048	14.0
95.04974	29.1
95.08611	7.4
97.02903	2.6
97.06523	3.0
97.10162	5.9
104.26573	0.6
105.04473	0.6
105.07027	19.7
107.04964	8.3
107.08591	5.7
109.02879	0.7
109.06530	4.3
109.10173	4.4
111.04460	2.5
111.08091	9.1
113.06027	1.6
115.05461	1.7
117.07027	3.1
119.04972	0.9
119.07804	1.2
119.08591	14.5
121.06509	4.4
121.10157	8.0
123.08096	2.5
123.11747	0.8
125.06007	0.7
125.09621	4.5
128.06271	0.7
129.07010	10.7
131.04877	1.4
131.08575	11.4
133.06470	4.9
133.10132	8.6
135.08037	1.9
135.11682	1.5
137.05992	0.8
137.09642	2.0
141.06976	0.8
142.07768	4.1
143.08557	1.8
145.06485	3.9
145.10165	3.2
147.04422	0.9
147.08075	4.4
147.11693	12.2
149.09618	6.1
155.08556	1.0
157.06476	1.2
157.10126	15.0
159.11598	0.9
161.06084	0.8
161.09676	1.0
163.11195	2.2
165.12773	2.5
171.08070	1.3
171.11708	0.7
173.09636	0.7
175.11191	12.3
181.10048	0.6
183.08052	1.1
184.07343	1.4
185.09615	0.8
189.11197	1.7
189.12708	0.9
191.10597	0.6
193.12250	36.2
195.11726	1.1
211.11400	0.6
211.13283	15.1
211.15245	0.8
213.12766	1.0
215.14355	0.6
216.52078	0.6
223.13232	0.8
227.12706	1.5
227.14693	0.7
229.14333	1.5
231.13857	0.8
237.12776	0.9
249.14896	1.9
255.13954	2.9
259.13312	0.6
267.15921	100.0
268.16388	1.2
273.14767	3.5
283.15369	1.0
285.16953	13.8
288.79141	0.7
309.16748	0.8
339.23148	0.8
341.21069	1.6
349.21494	3.1
357.24551	0.7
365.23175	0.8
367.22690	7.7
385.23764	10.0
403.24829	2.1
405.24445	1.3
433.25882	15.3
441.26324	7.4
459.27438	74.2
460.27673	2.4
477.28516	43.3
478.28769	1.5
491.30130	1.0
501.28580	0.6
509.31345	1.0
519.29742	1.3
585.30444	1.3
603.31506	0.7
612.62469	0.6
630.93903	0.7
681.16931	0.7
741.91388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
53.85705	2.5
55.01863	8.0
55.05272	3.2
55.05515	44.2
57.03443	19.3
59.04999	2.4
61.02917	4.9
62.47718	2.3
67.05508	100.0
69.03447	5.2
69.07060	16.7
69.21420	4.3
69.21828	20.7
71.04969	6.0
73.02902	2.7
79.05497	27.5
80.48878	2.5
81.03416	15.1
81.07058	44.3
83.04982	14.1
83.08618	23.5
85.02905	20.6
85.06527	3.9
87.04459	6.9
87.79012	2.2
91.05486	22.5
91.54851	2.3
93.07043	27.3
95.04951	9.3
95.08607	15.8
97.02886	8.2
97.06521	7.0
97.10170	32.5
103.03965	9.0
105.07008	9.8
105.93509	2.1
107.04929	5.7
107.08588	26.2
109.06515	4.3
109.10159	91.5
111.04409	4.6
111.08069	6.9
117.07005	5.9
119.08601	16.1
121.06503	3.7
121.10116	11.3
125.09637	34.6
129.05438	2.9
129.06982	4.9
131.08565	7.5
133.10168	5.1
135.11710	13.1
137.09673	3.1
143.10646	6.3
145.10097	6.6
147.11729	5.5
149.13249	10.8
153.12766	12.1
155.10651	7.5
159.11647	5.9
163.11188	16.0
173.11749	32.3
175.11263	3.3
177.12703	5.5
181.12257	10.7
184.07269	4.2
186.06476	2.6
189.11227	3.1
191.10663	8.6
193.12221	3.1
194.86098	2.4
195.13789	14.5
199.13313	9.3
209.11691	15.7
213.14740	3.0
217.14359	7.5
227.12793	19.3
227.16402	4.0
229.14366	74.3
238.35419	2.8
245.13860	7.9
257.13846	28.2
279.89792	2.2
283.12442	3.8
283.15421	52.5
301.16486	50.0
319.17371	6.3
433.01144	2.4
469.16678	3.2
527.32202	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	724.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02337	0.3
53.03931	0.8
55.01870	3.7
55.05512	12.4
55.05769	0.4
56.96529	0.3
57.03443	3.8
59.04977	0.7
61.02927	4.2
65.03919	0.6
66.04897	0.3
67.05507	15.4
69.03432	5.8
69.07070	16.6
70.27680	1.2
71.04964	0.8
73.02914	1.9
77.03919	0.4
79.05022	0.4
79.05490	14.2
81.03419	8.9
81.07058	14.7
81.47066	0.3
82.03701	0.5
82.07365	0.4
83.04546	0.4
83.04980	3.5
83.08624	7.4
85.02911	6.2
85.06506	0.9
86.09673	1.4
87.04438	0.4
91.03951	3.0
91.05483	9.3
93.07045	11.2
94.04166	0.6
95.01301	0.7
95.04972	6.2
95.08614	6.4
97.02895	9.7
97.06537	2.1
97.10166	10.0
98.97544	0.4
99.04426	0.9
103.05410	0.5
105.03393	0.4
105.04536	0.3
105.06406	0.5
105.07029	7.6
107.04959	4.5
107.08600	8.9
109.02840	0.7
109.06506	1.8
109.10152	6.8
111.04414	1.1
111.08051	1.6
115.05405	0.4
117.07008	3.6
119.04864	0.6
119.07816	0.5
119.08590	7.8
120.08064	0.9
121.06541	2.3
121.10131	3.8
123.04414	0.5
123.08089	2.2
123.11664	0.7
124.99968	1.1
125.08776	0.5
125.09633	7.4
127.03877	1.1
128.06209	0.3
129.05461	0.6
129.07016	2.2
130.07735	0.4
131.08569	5.1
133.06488	2.3
133.10133	3.6
134.07237	0.6
135.08057	2.4
135.11667	1.6
137.09616	1.6
142.07780	0.4
143.08577	2.1
145.04950	0.9
145.06485	0.8
145.10123	3.9
147.08046	4.2
147.11690	3.0
149.09605	1.6
149.13290	1.1
151.07483	0.5
151.11209	0.6
153.09077	1.0
153.12788	0.7
157.10126	2.6
159.11702	1.7
159.86380	0.4
161.09590	1.5
162.10381	0.8
163.05992	0.8
163.11188	1.7
165.09053	1.2
166.08607	0.4
169.12207	0.7
171.10152	0.9
171.11642	0.9
173.04454	0.4
173.09590	0.6
173.11722	1.0
173.13171	0.4
175.11134	2.3
177.12738	0.9
179.10683	0.5
181.10199	0.3
181.12186	0.6
184.07355	4.9
185.09608	0.4
185.13208	0.4
189.11253	3.6
189.12776	0.6
191.10771	0.6
193.12230	4.0
195.13922	0.5
203.10718	0.5
205.12256	1.3
209.11703	0.4
211.13266	2.3
223.13298	15.4
227.12770	3.3
227.17836	0.4
229.14444	0.6
245.13892	0.6
245.19032	0.9
249.14934	2.2
255.17557	0.4
263.19962	0.4
267.15967	3.2
273.18491	7.0
283.15280	0.7
284.15887	0.4
285.16989	11.6
291.19537	57.9
292.19879	1.2
297.17032	0.5
307.19156	0.5
347.22107	3.2
356.77365	0.4
365.23230	100.0
366.23523	1.8
373.14948	0.7
389.18036	0.5
415.56012	0.4
429.21191	1.3
435.23511	0.5
459.27075	1.1
475.26819	0.6
476.27347	0.8
477.27594	2.0
503.08972	0.4
509.27411	1.5
527.28601	4.6
625.96423	0.4
724.39972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16790	0.1
55.01854	0.2
55.05508	0.3
56.05035	0.3
57.03443	0.2
57.07064	0.5
58.06587	1.7
59.07372	1.0
60.08168	5.4
62.34867	0.1
67.05501	0.4
70.19904	0.7
71.07373	2.7
72.83734	0.1
79.05499	0.3
81.07052	0.4
83.04995	0.3
86.09710	25.8
87.10062	0.2
91.05476	0.2
93.06992	0.3
93.85701	0.2
95.04967	0.1
95.08649	0.3
96.11760	0.2
98.98473	2.4
104.10760	2.0
111.04462	0.4
125.00010	16.3
166.02843	0.2
183.06543	0.2
184.07349	100.0
185.07690	0.6
215.92255	0.2
222.08952	0.9
224.10417	0.2
238.08408	0.1
240.09845	0.2
282.11026	0.2
365.26129	0.2
452.75552	0.2
493.82471	0.2
532.14063	0.2
542.39154	0.2
544.01147	0.2
722.46045	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	723.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	0.8
69.29535	6.4
83.15253	0.7
92.99151	0.8
94.93021	0.9
98.97598	2.3
110.97543	1.3
112.89631	1.0
113.00587	0.7
128.66473	0.7
132.79582	0.7
139.32681	0.6
140.98521	0.8
147.94933	0.7
149.02689	0.7
158.99614	1.4
170.99635	2.1
189.00652	1.1
201.00639	3.7
202.89127	3.3
204.45099	0.7
210.76985	0.7
219.01788	1.3
243.01808	1.2
245.05051	1.3
261.02853	6.5
273.02887	0.7
279.03802	2.8
291.03876	1.3
307.98611	0.7
321.05011	2.7
321.10400	0.9
344.85739	3.1
380.83551	0.8
381.07941	100.0
382.08252	1.6
399.08069	1.9
441.09116	7.6
720.34521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78259	0.7
54.11285	0.6
54.14745	0.5
55.01880	5.4
55.05515	18.0
55.21671	0.6
56.96595	0.7
57.03195	1.0
57.03441	11.3
57.07058	0.8
59.04994	1.0
60.08163	1.1
61.02930	5.3
65.03909	1.0
67.05509	25.4
68.05850	0.9
69.03437	7.9
69.07074	23.4
70.01648	0.7
70.01978	3.0
70.06589	0.7
71.01347	1.2
71.04649	0.5
71.04976	3.8
71.07391	0.8
73.02921	3.0
74.32139	0.6
76.55149	0.6
79.05497	19.3
81.03422	39.0
81.07060	26.6
83.04981	9.1
83.08154	1.1
83.08623	16.9
85.02448	0.9
85.02911	12.8
85.06553	1.5
86.09711	5.1
87.04451	0.7
89.52045	0.6
91.03976	3.6
91.05481	19.3
93.06487	1.3
93.07050	18.3
95.04970	16.7
95.08611	11.8
97.02894	11.4
97.06532	5.3
97.10178	13.1
98.98438	0.8
99.04436	1.2
99.08118	0.8
101.02406	1.0
103.05457	0.9
105.07037	17.2
107.04963	7.9
107.08598	13.6
109.02923	1.4
109.06505	5.0
109.10162	11.5
111.04444	2.6
111.08092	5.6
113.06037	0.7
115.05431	1.2
117.07041	6.8
118.48975	0.6
119.04926	1.4
119.08589	12.8
120.08183	1.2
121.06507	4.8
121.10155	7.6
123.04440	1.3
123.08082	5.6
123.11720	2.1
125.00035	4.2
125.09635	12.6
127.03917	2.3
127.07509	0.7
129.05502	0.8
129.07016	6.0
130.07861	0.7
131.08566	8.7
133.06493	2.6
133.10143	9.0
134.07263	0.8
135.08087	4.0
135.11687	3.2
137.09619	3.2
141.90276	0.8
142.07780	1.2
143.08551	2.2
145.05020	1.0
145.06479	1.6
145.10103	5.3
147.08054	6.5
147.11696	9.0
149.09624	4.7
149.13255	1.3
151.07602	0.8
151.11151	1.5
153.09128	1.6
153.12807	0.8
157.08887	1.1
157.10114	6.7
159.11745	1.9
161.09648	2.5
163.03874	0.6
163.05942	0.9
163.11192	4.2
165.09094	1.8
165.12740	1.7
166.08667	1.4
171.10226	0.7
171.11693	1.3
173.09604	0.9
173.11768	1.5
173.13292	0.8
175.11176	7.5
176.14952	0.6
177.09125	0.9
177.12755	1.5
177.56668	0.6
179.10712	0.9
181.12242	0.9
184.07336	17.9
185.13329	1.1
189.09717	0.9
189.11238	5.6
189.12692	1.2
191.10712	1.3
193.12259	19.4
195.13831	1.4
199.11067	0.6
199.13260	0.8
205.12274	1.5
209.11746	2.1
211.13274	14.1
213.12868	0.7
223.13318	11.3
227.12749	6.2
229.14297	4.0
233.15378	1.1
242.89754	0.7
245.13837	1.4
249.14874	3.2
253.14470	0.8
255.17599	0.7
265.14386	0.9
267.15930	20.9
273.15286	1.2
273.18481	8.2
283.15433	4.5
285.16968	20.7
291.19559	61.9
292.19989	1.0
301.16461	2.2
307.19150	0.9
309.16980	0.8
347.22211	6.0
355.17468	0.8
357.24222	0.7
365.23239	100.0
366.23557	2.1
367.22577	1.9
385.23874	4.8
403.24893	2.2
429.21140	1.7
437.25250	2.1
441.26022	1.6
459.27432	26.2
477.28494	36.8
478.28787	1.2
491.26489	1.2
509.27475	3.9
527.28485	7.8
620.31622	1.5
724.36493	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	722.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03546	2.3
55.01887	2.3
55.05504	7.0
57.03436	6.1
57.31197	2.2
61.02924	14.1
65.03938	3.3
67.05511	30.0
67.05851	3.8
67.80862	2.4
68.61763	2.0
69.03436	4.8
69.07079	6.8
71.05000	2.9
71.53514	2.2
73.02934	3.4
75.05854	2.3
79.05493	24.3
81.03450	4.7
81.07054	37.6
83.04993	3.2
83.08626	5.8
85.02901	18.5
86.09741	2.2
91.03963	16.8
91.05482	9.2
93.07040	24.0
95.04957	2.3
95.08614	34.3
97.02912	12.5
97.06535	2.6
97.10149	2.7
99.08044	3.3
100.09624	2.0
105.07030	13.8
107.08604	16.6
109.10165	23.2
117.07041	6.1
119.08585	9.1
121.10164	17.0
123.11717	12.5
125.09659	2.5
127.03921	8.0
128.47531	2.1
129.07071	2.9
131.08585	11.1
133.10135	7.9
135.11703	18.2
137.13281	4.1
145.04970	8.3
145.10143	6.2
147.11728	7.0
149.13257	14.2
151.14909	3.2
157.10046	2.8
159.11708	8.7
161.13258	5.1
163.06017	17.9
163.11057	2.3
163.14801	13.8
173.13318	9.1
177.12709	2.3
177.16388	6.2
179.14352	2.5
184.07353	5.8
187.14784	4.9
219.17374	2.5
233.22591	4.4
243.21054	28.5
261.22137	100.0
279.23199	2.9
300.34680	2.5
335.25778	30.8
353.26859	82.0
405.54410	2.3
491.48203	2.4
542.35492	6.5
722.42218	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	722.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47885	0.4
53.03948	2.0
55.01869	3.6
55.05515	10.1
56.02647	0.4
57.03437	8.1
57.07063	0.5
59.04988	1.3
61.02956	0.4
65.03943	0.7
67.05508	11.9
69.03429	1.8
69.07061	2.7
71.04994	2.2
72.13683	0.4
79.05020	0.4
79.05492	12.6
81.03419	35.7
81.07059	11.9
83.01348	3.0
83.04980	5.2
83.08620	10.6
85.02906	2.7
85.06541	0.7
91.05479	11.0
93.07051	11.1
95.04966	12.1
95.08602	4.8
97.02882	2.1
97.06525	2.7
97.10174	5.5
99.04454	1.0
105.04563	0.5
105.07036	7.6
107.04963	7.6
107.08587	7.5
109.02891	1.2
109.06544	3.1
109.10155	3.6
111.04447	1.3
111.08095	3.6
115.05476	0.6
117.07029	4.5
119.04966	0.7
119.08592	7.2
121.06509	2.9
121.10137	4.4
123.04444	1.2
123.08086	3.3
125.09626	4.1
129.07014	4.8
130.07765	0.7
131.04935	1.0
131.08566	4.4
133.06487	2.4
133.10152	3.1
135.08084	1.5
135.11705	4.2
137.05952	0.7
137.09598	1.4
141.06938	0.4
142.07809	0.7
143.08556	1.3
143.88631	0.4
145.06500	1.5
145.10123	5.9
147.04428	1.3
147.08022	2.8
147.11691	3.0
149.05934	0.8
149.09624	3.0
153.09109	0.7
153.12752	1.9
155.08574	1.6
157.06482	1.0
157.10110	3.9
159.08116	0.8
159.11716	0.5
161.05939	2.4
161.09639	1.0
163.11180	11.0
165.12717	0.8
169.10077	0.9
171.08038	0.7
173.05936	0.8
173.09616	2.4
175.07587	0.5
175.11183	3.7
181.12274	1.7
183.11691	0.7
185.09517	0.5
185.13222	0.8
189.09132	1.2
189.11227	1.5
189.12741	0.4
191.10701	2.1
193.12253	8.5
194.76031	0.4
199.11057	0.6
203.10744	0.5
203.14297	0.5
204.25198	0.4
205.12234	1.3
209.11664	2.2
211.11249	0.8
211.13240	0.8
213.12723	0.7
221.09920	0.4
225.12756	0.7
227.12685	2.4
228.99863	0.5
231.13696	1.0
235.11142	0.8
243.13911	0.8
249.14873	0.7
265.14371	0.7
267.15918	19.3
269.15387	0.5
271.13293	1.0
273.14755	2.0
283.15399	17.9
287.16299	0.6
289.14294	2.6
301.14294	0.8
337.21481	0.7
355.22763	1.6
365.21204	1.8
383.22211	12.3
401.10104	0.5
401.23227	5.8
419.24341	1.4
421.23755	0.6
431.24323	1.2
439.24765	1.6
457.25864	23.4
458.26248	0.5
475.26929	100.0
476.27423	2.9
493.27948	8.9
496.65887	0.5
517.27850	1.0
541.28198	0.5
547.19031	0.5
571.28986	0.6
655.99829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01870	3.5
55.05516	7.7
55.39788	0.6
57.03437	10.4
57.07075	1.3
61.02929	1.4
65.03941	1.1
67.05180	1.2
67.05510	16.0
69.03432	3.0
69.07073	4.4
69.23167	3.9
69.23594	2.0
71.01366	1.3
71.04991	2.6
73.02921	1.4
79.05499	20.6
81.03423	49.8
81.07061	16.5
83.04983	6.6
83.08627	13.0
85.02908	3.7
85.06548	0.9
91.03992	0.6
91.05485	14.5
93.07047	23.6
95.04976	18.4
95.08614	20.5
97.02903	4.6
97.06531	5.7
97.10176	2.5
99.04462	2.9
105.07040	13.1
107.04942	8.4
107.08604	16.1
109.02894	1.5
109.06532	3.9
109.10148	3.8
111.04454	3.2
111.08096	5.2
113.06104	0.8
117.07028	6.1
119.08585	14.3
121.06492	5.0
121.10159	12.7
121.11034	0.7
123.04435	2.0
123.08071	2.7
123.11668	0.8
125.05997	1.5
125.09641	2.1
127.03949	1.6
129.07019	5.9
130.07806	0.8
131.08572	6.5
133.06540	1.9
133.10114	4.1
135.08052	1.5
135.11700	27.6
137.09615	0.7
139.07500	1.3
142.07779	1.8
143.08537	1.5
145.06493	0.9
145.10135	17.2
147.08073	2.5
147.11653	4.6
149.06017	0.7
149.09650	3.5
153.12698	1.2
157.10150	6.7
163.03893	0.7
163.11194	39.7
165.12831	1.5
166.05620	0.7
171.11708	0.9
173.09642	1.9
175.11203	5.6
176.09117	0.9
181.09796	0.7
181.12241	7.3
184.07401	1.2
191.10629	1.6
193.12265	15.4
209.11736	1.7
211.13353	2.2
214.18098	1.0
223.13480	1.0
227.12801	38.8
231.13927	0.6
235.13353	1.1
249.14873	0.8
259.09747	0.8
267.15924	79.8
268.16412	1.2
283.15414	55.6
284.15640	0.9
285.17014	2.8
289.14325	1.0
301.14243	1.1
309.17020	0.7
319.15454	1.3
337.16425	0.9
353.16278	0.9
371.17093	0.7
383.22324	3.0
401.23495	1.1
439.30334	0.9
457.25864	4.7
475.26971	100.0
476.27292	2.7
493.28070	4.3
507.29462	1.4
517.27875	0.9
525.30591	2.2
705.25732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4445
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
55.05501	0.3
56.05005	0.9
57.07057	0.3
58.06590	0.7
60.08165	6.0
60.53302	0.2
64.42753	0.3
67.05478	0.4
68.51681	0.3
71.07060	0.3
71.07369	3.5
71.49725	0.3
71.53545	0.4
72.28914	0.2
77.47360	0.2
81.03411	0.5
81.07038	0.4
82.90439	0.2
83.04951	0.8
85.02859	0.3
86.09708	30.6
87.34027	0.2
95.08627	0.5
97.02892	0.3
98.98464	3.3
104.10749	2.0
111.04423	0.4
125.00013	20.6
143.01039	0.3
184.07346	100.0
185.07704	0.4
245.20381	0.3
260.72159	0.3
496.33908	0.4
547.52173	0.3
655.08875	0.3
689.09375	0.3
720.44574	8.8
746.80737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.05510	13.3
57.03445	16.0
57.07083	28.2
61.02921	5.3
67.05503	17.1
69.03420	7.0
69.07062	8.3
70.03854	2.6
71.04976	2.5
71.08631	18.4
71.54224	3.0
73.02916	2.3
79.05486	16.1
79.98909	2.1
81.03424	44.8
81.07059	27.5
83.04987	13.8
83.08621	22.2
85.02901	21.4
85.06538	2.6
85.10178	8.9
86.09688	6.8
91.05486	17.4
93.07042	11.0
95.04978	17.4
95.08588	22.3
97.02901	4.8
97.10143	5.5
105.07041	15.3
107.04966	5.3
107.08595	5.3
109.06576	2.5
109.10152	7.9
111.04443	6.6
111.08063	7.3
113.87043	2.0
119.08592	13.9
121.10118	5.5
123.11716	4.3
124.99973	4.9
127.03926	3.1
129.06993	5.5
131.08568	4.8
133.10141	6.2
134.24289	2.2
147.11714	13.0
149.09624	3.4
157.10100	11.9
157.62976	2.4
165.12787	3.6
175.11227	12.2
184.07326	20.9
193.12241	28.6
211.13268	43.7
267.15958	18.5
285.16962	62.5
293.05389	2.2
313.27362	68.1
369.86642	2.2
442.37128	2.4
505.38855	13.3
518.59314	2.5
523.39923	100.0
524.40076	3.0
541.19519	2.5
584.61450	3.3
699.98999	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	715.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	0.5
55.05512	1.2
57.03446	1.6
57.54634	0.3
61.02929	3.6
67.05508	2.8
69.03434	2.7
69.07070	2.0
70.06596	0.5
71.01333	0.4
71.04996	1.6
71.53835	0.5
73.02927	2.4
79.05495	3.0
81.03430	6.0
81.07057	3.5
83.04994	1.1
83.08627	1.4
85.02913	5.3
85.06571	0.7
86.09698	0.3
90.40054	0.3
91.03967	1.8
91.05485	3.4
93.07046	3.2
95.04965	2.0
95.08610	1.6
97.02902	3.8
97.06529	1.2
97.10172	0.4
99.04469	0.8
101.02397	1.2
105.07041	2.3
107.04993	1.1
107.08608	1.3
109.02892	1.0
109.06546	0.7
109.10164	0.6
111.04471	0.3
111.08080	0.8
111.11760	0.4
115.05520	0.4
119.08577	1.5
121.06522	0.6
121.10158	1.8
123.08072	0.6
125.09636	0.7
127.03946	1.5
129.05511	0.5
129.07022	0.8
131.08589	1.5
133.10089	1.7
135.04430	0.4
135.11702	0.5
137.06017	0.8
139.11218	1.0
145.04968	0.6
145.10162	0.5
147.08145	0.4
147.11679	1.7
149.09654	1.7
149.13335	0.5
151.11292	0.4
157.10178	1.3
159.11792	0.3
163.03978	0.8
175.07619	0.4
175.11208	1.3
185.04321	0.6
187.11198	0.3
193.12250	2.5
211.13347	0.9
225.11018	0.7
241.06909	0.3
243.08511	1.8
251.12643	1.5
259.09995	0.4
267.16037	0.7
269.13663	1.7
285.17108	0.6
294.48254	0.4
307.15179	0.6
331.83936	0.4
331.98892	0.4
425.17599	0.7
443.19064	4.6
469.20459	12.5
487.21567	6.0
487.28152	0.6
545.56891	0.4
671.32666	2.9
697.34320	1.6
715.35126	100.0
716.35577	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	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94199	0.2
67.05510	0.3
69.07095	0.2
81.07088	0.4
83.01096	0.7
85.02959	0.2
91.03937	0.3
91.05443	0.3
93.07020	0.4
95.01123	0.5
96.01894	0.3
97.02701	0.2
98.20774	0.7
105.07027	0.2
107.08597	0.2
119.08569	0.3
121.10145	0.3
123.04259	0.4
123.11683	0.2
125.02133	0.3
127.03731	0.2
130.33197	0.2
133.03439	0.3
134.99449	0.3
146.77580	0.2
155.01910	0.2
156.03986	0.3
157.04742	0.5
169.04712	0.3
185.04242	1.9
201.03737	2.1
203.05258	1.7
241.07013	0.5
245.04895	0.3
257.06406	0.7
259.07947	2.6
275.63675	0.2
280.00546	0.2
297.04581	0.2
299.18512	0.3
301.09085	0.3
305.08658	0.3
317.08557	0.8
317.20081	0.6
319.10059	1.2
329.08167	0.3
331.09946	2.0
335.21109	0.4
345.11569	0.5
347.09512	3.8
351.04221	0.2
359.13239	0.4
363.08990	1.8
365.10611	4.1
373.14752	0.7
391.24744	0.9
401.17896	0.7
415.19464	0.6
421.13132	2.7
437.13095	0.5
455.22729	0.8
463.14291	0.3
483.22110	2.4
493.15213	3.2
507.17090	0.9
521.18567	1.0
535.20178	0.9
535.27710	0.5
553.29858	14.2
554.30414	0.4
563.23132	0.9
577.24701	1.6
603.26544	0.4
617.27917	0.7
625.32336	0.7
645.26788	1.2
683.70319	0.2
697.33563	0.3
715.35114	100.0
716.35638	3.2
719.18799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93249	0.6
57.08723	0.6
58.77722	0.5
61.16506	0.6
70.58556	1.6
73.30865	0.5
73.84425	0.5
80.79649	0.5
94.06576	0.8
95.04956	0.6
96.08115	0.6
108.04472	1.5
108.08124	3.4
118.06677	0.5
118.65903	0.6
120.04461	0.8
120.08112	3.1
122.06030	1.3
130.43224	0.5
136.07582	3.3
138.05518	2.7
138.09145	1.6
138.23814	0.5
140.07079	0.7
146.06017	2.7
146.08368	1.5
147.06776	0.7
147.09172	0.9
148.07533	1.5
150.05547	0.6
156.06584	2.2
157.07408	0.7
166.04984	1.0
166.08624	2.1
168.06584	2.3
172.03972	0.7
173.07109	0.7
174.05609	0.6
174.07877	1.7
175.08685	1.8
189.10272	1.2
193.09749	0.6
194.09518	0.8
196.09863	1.0
196.11418	0.8
197.10777	1.5
198.07730	1.1
198.09340	0.7
198.11522	0.6
199.08714	1.8
199.12320	0.6
203.08115	1.3
204.06630	1.0
204.08914	1.4
205.09735	1.9
206.08255	3.5
209.10674	0.9
210.07851	1.1
211.08684	12.4
211.12215	2.9
212.09380	4.3
213.10188	4.9
213.13776	0.9
217.09700	1.9
220.09784	1.0
221.10741	2.0
222.09151	1.4
222.11276	0.6
223.08675	1.9
224.09128	1.3
224.10968	1.4
224.12791	0.6
225.06689	1.4
225.10236	14.6
226.07420	1.3
226.10992	4.3
227.08168	4.6
227.11783	2.0
228.08907	0.8
229.09818	0.7
235.10867	1.0
237.10271	1.0
238.11005	0.9
239.08252	3.0
239.11810	19.5
240.08781	3.5
240.12595	1.1
241.09715	8.7
241.13341	2.8
242.10458	2.1
243.11206	1.0
249.10245	2.1
250.08682	1.3
251.08148	1.3
251.11815	1.2
252.08783	3.9
253.09747	13.2
254.10507	5.4
255.11301	5.1
257.09241	1.2
257.12891	6.0
265.09796	1.4
266.10568	0.7
267.11313	31.4
268.09067	0.8
268.12073	5.0
269.09607	1.2
269.12857	5.1
271.10803	2.5
272.11481	3.6
275.13907	4.3
277.09625	1.3
278.07910	0.7
279.11243	1.6
280.08487	0.9
281.09250	2.5
281.12775	0.8
283.10791	5.8
283.13837	0.9
284.11649	1.4
285.09167	1.0
285.12384	18.4
295.10800	18.2
296.11597	1.1
297.12399	12.3
299.10275	2.4
300.10855	1.0
301.11880	0.8
303.13416	17.0
308.45956	0.6
311.10437	1.1
311.13968	1.1
313.11847	100.0
314.12433	2.7
321.14581	1.2
323.10416	4.2
325.11926	1.0
327.13309	1.2
339.13382	1.0
341.11371	36.4
342.12024	3.9
351.13474	1.3
353.15106	1.8
354.12030	1.4
355.12851	2.0
359.12216	1.6
363.13376	0.9
365.15259	1.0
373.13980	48.7
374.14383	1.2
381.14575	3.4
383.15955	1.8
399.15643	4.1
409.13858	0.9
427.15070	5.1
452.42096	0.6
453.15244	1.1
459.17551	1.4
474.16238	0.6
480.76990	0.7
492.17828	1.3
599.24994	1.2
615.24292	2.5
617.26105	7.1
625.23627	0.9
633.25720	7.1
634.25751	0.6
643.24091	7.8
651.26819	0.7
661.25122	49.0
662.24719	1.4
675.26611	4.8
679.26031	16.4
693.27722	45.4
694.28076	2.1
711.28772	17.2
712.28979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32398	0.6
55.01884	3.4
55.05516	13.2
56.96581	1.2
57.03441	15.3
57.48265	0.7
59.04991	1.0
61.02929	2.6
65.03953	1.6
67.05509	21.1
69.03429	4.7
69.07073	6.3
70.44590	2.5
71.01341	0.9
71.05003	4.5
73.02907	1.1
73.67493	0.6
79.05500	22.7
81.03426	96.7
81.07061	23.9
82.03847	0.6
83.04992	12.6
83.08629	24.4
83.09132	1.4
85.02908	13.3
85.06551	1.7
86.09726	2.9
91.03968	1.7
91.05489	28.2
93.07053	16.5
95.04978	30.2
95.08612	10.4
97.02895	6.0
97.06541	5.1
97.10175	6.8
98.97648	1.5
99.04461	1.0
105.07040	18.7
107.04970	8.5
107.08612	9.0
109.02934	1.2
109.06513	5.0
109.10203	5.3
111.04465	2.8
111.08099	10.4
113.05998	1.2
115.05441	1.1
117.07051	3.0
119.04909	1.3
119.08595	19.1
121.06513	5.5
121.10161	9.8
123.04428	1.3
123.08096	4.1
123.11685	1.1
125.00043	1.7
125.09646	4.1
129.07014	13.6
131.04973	1.4
131.08582	12.3
133.06503	4.2
133.10155	9.8
134.10548	0.7
135.08055	2.2
135.11696	1.9
137.05957	1.4
137.09628	2.2
141.07021	0.9
142.07828	3.5
143.08606	2.2
145.06526	4.2
145.10062	3.4
147.08072	4.3
147.11699	12.7
149.09634	7.0
153.09119	1.0
153.38792	0.9
155.08589	1.4
157.06496	0.9
157.10149	14.0
159.08083	0.8
163.11270	1.8
165.09140	0.9
165.12761	2.7
169.10141	1.0
171.08080	1.6
171.11668	0.8
173.09663	1.3
175.11221	14.0
177.12802	0.8
179.10643	0.7
184.07353	7.0
185.09637	0.9
189.11229	1.9
193.12256	37.0
195.11746	0.9
199.11147	1.1
203.14284	0.9
205.12280	1.0
211.13298	15.9
215.14436	1.1
223.13278	1.2
225.12845	0.9
227.12689	0.9
229.14380	1.8
231.13799	1.2
233.15411	1.8
235.13203	1.2
237.12576	0.8
243.13797	0.8
249.14952	2.5
255.13841	1.8
259.09644	1.7
259.15555	0.8
267.15942	100.0
268.16257	1.8
273.14835	5.5
285.16992	16.4
299.05414	1.3
299.10519	0.8
301.14120	0.8
341.21173	1.9
343.15582	0.8
349.21503	2.0
367.22754	8.2
385.23773	11.1
402.11786	0.8
403.24774	3.0
421.59445	0.7
422.90359	0.8
423.25519	0.9
433.25958	12.3
441.26352	6.4
451.26166	0.8
459.27451	69.0
460.27844	2.7
477.28519	46.1
478.28946	1.3
485.31601	0.9
495.29083	2.0
519.29425	1.1
567.28894	1.0
585.30627	0.9
603.32227	1.2
692.36499	1.5
710.37128	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	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01868	1.9
55.05514	8.5
56.96566	2.1
57.03428	4.4
57.07063	1.6
61.02932	12.2
61.05166	1.0
65.03942	1.2
67.05510	25.1
69.03426	2.3
69.07070	9.5
70.48083	3.5
71.04993	3.1
73.02921	5.3
79.05497	32.3
81.03413	3.4
81.07066	28.3
82.91777	1.2
83.04974	2.1
83.08618	4.9
85.02909	17.9
85.06532	2.8
86.09708	1.6
91.03964	10.1
91.05489	27.8
93.07048	45.1
94.84979	1.0
95.04989	3.6
95.08611	18.4
97.02892	8.6
97.06532	4.0
97.10103	2.1
98.97578	2.9
105.07042	29.8
107.04971	1.5
107.08604	23.9
109.06546	2.1
109.09507	1.2
109.10133	7.5
111.04408	1.2
111.08086	1.7
116.06116	1.1
116.98637	1.5
117.07047	7.9
119.08594	24.5
121.10159	20.0
123.11700	2.3
127.03901	4.7
129.07047	5.7
131.00220	1.4
131.08580	10.5
133.10147	22.8
135.11693	17.2
137.09637	2.1
143.08586	5.6
145.04967	3.6
145.10153	10.3
147.11685	19.0
149.09622	1.8
149.13289	10.8
157.10149	5.6
158.99681	1.7
159.11676	10.4
161.13298	12.8
163.06001	6.3
163.11156	2.8
163.14818	3.7
170.99597	1.7
171.11714	7.3
173.13271	3.6
175.11232	1.5
175.14847	7.2
183.11757	1.4
184.07339	3.3
185.13234	6.3
187.14804	1.5
193.12254	1.5
199.14857	3.6
203.14288	1.6
213.16431	1.2
219.01993	1.2
219.17509	1.6
229.14442	1.7
231.21101	3.1
241.19521	16.5
259.09659	2.2
259.20587	36.3
264.11069	1.2
267.15826	1.2
269.17566	2.4
277.21683	6.5
283.08340	1.1
290.56699	1.1
321.04733	1.8
333.24258	8.6
351.25320	100.0
352.25726	2.0
357.15729	9.8
357.65805	2.4
363.25162	1.3
364.14786	1.4
365.15363	4.2
375.25443	1.6
417.26245	1.7
423.26633	1.6
441.26385	5.3
459.27249	4.6
477.28391	4.3
495.29654	9.9
711.32367	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	709.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01868	0.3
55.05518	1.6
55.67674	0.2
57.03430	0.4
67.05509	4.5
68.75859	0.2
68.80457	0.2
68.99801	0.5
69.03443	1.0
69.07076	1.1
71.04995	0.5
71.36613	0.4
79.05072	0.4
79.05499	4.4
81.03435	1.0
81.03835	0.2
81.07064	4.6
83.04978	0.3
83.08604	0.5
83.72063	0.2
85.02911	1.1
86.09714	0.3
87.90968	0.2
91.05490	2.9
93.06492	0.3
93.07057	5.1
95.04977	0.6
95.08605	3.3
97.02898	0.6
97.06528	0.4
97.10143	0.3
101.31810	0.2
105.03352	0.3
105.07038	2.0
107.04974	0.4
107.08591	2.3
109.02878	0.5
109.10160	1.5
111.00798	0.7
111.04461	0.5
115.05500	0.2
117.07023	0.7
119.08578	1.7
121.02888	2.3
121.10150	2.1
123.08047	0.3
123.11672	0.4
124.99999	0.2
127.03918	0.7
129.06999	0.5
131.08595	1.8
133.02850	0.6
133.10150	1.1
135.11711	1.5
137.02364	1.0
145.05008	0.3
145.10123	1.2
147.04413	0.7
147.11716	0.8
149.13251	0.7
153.01834	3.2
155.08508	0.2
157.06451	0.5
157.10219	0.4
159.11699	0.6
161.06021	0.3
161.13335	0.5
163.14868	0.4
165.01880	2.0
171.11731	0.4
173.13266	0.6
178.86130	0.2
183.02919	0.8
184.07367	0.7
185.05975	0.6
187.14807	0.4
213.05484	1.1
225.43350	0.2
231.06477	0.8
241.05037	1.0
243.21138	0.6
254.92688	0.2
258.05286	1.0
259.06293	0.3
261.22141	1.9
267.48785	0.2
287.05521	100.0
288.05869	1.6
299.84216	0.2
315.23175	0.2
319.86438	0.2
329.06345	0.3
353.06577	0.3
405.26453	0.4
455.31238	0.2
565.18689	0.2
709.43860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01879	3.3
55.05276	0.5
55.05518	5.1
56.96558	0.5
57.03452	2.7
59.05013	0.4
61.02933	2.5
63.44986	0.4
65.03966	0.5
67.05511	12.2
69.03435	1.8
69.07073	8.6
69.32632	0.6
69.33044	2.7
71.04991	1.3
73.02898	0.9
79.05498	8.3
81.03426	6.3
81.06593	0.8
81.07063	15.4
83.04998	2.6
83.08607	2.8
85.02895	3.3
85.06539	0.8
86.09689	0.5
89.17429	0.4
91.03947	1.3
91.05488	12.0
93.07054	9.0
95.01339	2.5
95.04982	3.5
95.08611	8.1
97.02889	1.7
97.06532	6.2
97.10191	1.0
98.21538	0.6
99.04441	0.5
99.08089	0.6
103.05471	0.5
105.07037	17.7
107.04961	4.8
107.08599	5.1
109.02869	0.6
109.06547	2.2
109.10144	3.7
111.08076	1.6
117.07033	3.6
119.08591	9.8
121.06487	0.8
121.10170	3.2
123.04407	0.8
123.08081	1.9
123.11695	1.1
125.00039	0.6
125.09644	0.7
127.03934	1.0
129.07016	1.4
131.08562	5.3
133.06491	0.9
133.10135	13.3
135.08058	1.1
135.11713	3.8
137.09604	1.2
139.07538	0.5
141.07002	0.8
143.08572	1.0
145.04956	0.8
145.06485	1.2
145.10129	4.9
147.11705	5.5
149.09665	2.4
149.13304	2.0
151.11198	0.8
155.08649	0.5
157.10158	1.9
159.11705	4.4
161.13300	1.4
163.11203	1.5
165.09148	0.5
165.12785	0.7
169.10165	1.0
171.11705	1.0
173.11841	0.5
173.13222	0.7
175.11244	0.8
177.12788	1.7
179.14317	5.2
181.12387	0.5
184.07381	1.9
185.13272	0.5
187.11201	1.5
193.12259	1.7
197.13287	0.7
211.13295	1.7
227.12831	0.5
229.14380	1.6
241.14366	0.5
247.20549	0.6
255.15942	0.8
257.19119	0.8
259.09698	1.3
267.15912	3.5
275.20078	12.5
283.15576	0.7
285.16895	0.7
293.21185	0.5
349.23755	100.0
350.24030	2.1
421.25824	0.8
453.28601	0.7
461.28857	1.6
479.29892	0.5
493.27771	2.1
511.28928	8.4
520.24030	0.4
709.27448	0.7
722.69513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.01639	1.7
55.01879	20.4
55.05514	44.2
55.70861	1.7
56.96571	1.6
57.03437	28.8
57.07066	2.0
57.26407	1.6
61.02934	9.5
65.03922	3.3
67.05508	61.8
69.03435	12.2
69.07069	12.4
71.01352	2.9
71.04996	9.2
71.53944	3.2
73.02905	6.6
79.05496	59.8
81.03425	100.0
81.06593	3.7
81.07062	51.8
82.04205	3.6
83.01328	1.8
83.04985	35.6
83.08157	2.7
83.08624	40.6
84.08110	2.0
85.02908	36.3
85.06545	2.6
86.09708	3.4
91.03972	3.5
91.05486	61.6
93.07047	39.8
95.04975	44.2
95.08620	21.9
97.02895	14.0
97.06533	14.8
97.10182	20.4
99.08078	3.1
103.05521	2.1
105.07032	36.7
107.04964	22.1
107.08590	23.0
109.02847	2.6
109.06533	10.6
109.10168	18.3
111.04440	11.5
111.08083	18.3
113.06036	4.1
115.05462	3.2
116.04714	9.2
117.07030	7.2
119.08593	32.7
121.06494	6.1
121.10149	16.2
123.08064	7.6
123.11663	3.2
125.06095	2.2
125.09631	19.0
127.03891	3.9
127.07541	1.9
129.05495	26.5
129.06996	17.0
129.58511	2.1
131.08586	21.6
133.06485	6.9
133.10144	15.3
135.08041	5.2
135.11728	12.9
137.09644	8.1
141.84122	1.7
142.07745	2.8
143.07008	7.2
145.10103	14.9
147.08037	5.0
147.11707	23.2
149.09584	9.0
151.11243	1.9
153.09145	1.7
153.12708	6.6
155.08499	2.2
157.08615	10.7
157.10123	20.4
163.11192	19.2
165.12767	3.4
171.06482	2.8
171.10161	3.7
173.09665	3.2
173.11726	7.7
175.11169	24.4
181.12181	5.5
184.07301	3.0
189.11263	8.7
191.10692	7.9
193.12263	78.2
194.12651	2.3
199.13278	17.5
209.11725	14.9
210.12514	2.1
211.13297	93.9
227.12778	16.8
229.14310	9.1
247.13506	2.9
255.15884	2.3
259.09579	2.1
265.14322	4.1
267.15939	36.2
283.15457	26.2
285.16989	65.1
286.17374	2.9
301.16479	53.5
366.23761	2.1
409.25821	6.0
421.25916	5.5
427.26987	5.6
439.26959	22.2
459.27399	4.5
475.26617	5.7
477.28607	2.8
493.28137	23.4
494.28513	6.6
511.21432	2.9
511.29077	59.6
528.29059	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.0
55.01859	6.3
55.05510	39.1
57.03430	20.9
57.07074	14.6
59.04998	2.9
65.03938	4.5
67.05502	78.8
69.03430	24.7
69.07061	19.9
71.04989	11.7
73.02904	2.7
74.10426	1.9
79.05490	55.9
81.03417	100.0
81.07053	72.6
83.04981	61.4
83.08617	28.6
84.05300	2.9
85.02901	30.4
85.06541	4.9
86.09695	5.8
91.05484	40.8
93.07044	60.5
95.04970	31.7
95.08601	57.2
97.02895	26.2
97.06528	8.9
97.10155	9.4
99.04449	5.4
99.08047	2.0
100.14670	1.9
105.07034	34.3
107.04974	10.2
107.08597	29.5
109.02865	13.0
109.06528	5.7
109.10159	23.5
111.04434	38.2
111.08082	13.6
115.05521	2.3
117.07046	10.9
119.08586	30.2
121.06519	4.8
121.10133	22.7
123.08069	5.9
123.11713	9.5
125.00014	3.9
125.09620	4.7
127.03922	12.4
127.07532	2.5
129.05490	8.2
129.07007	13.8
131.08565	28.0
133.10124	22.0
135.11702	17.1
137.09605	3.2
142.07750	4.3
143.08562	6.1
145.03481	2.9
145.04956	3.1
145.10132	15.4
147.08064	3.2
147.11700	21.5
149.09619	5.9
149.13266	7.3
153.12781	4.0
155.08586	4.2
157.10153	18.8
159.11694	9.2
161.13255	6.8
163.11192	9.1
165.12744	4.5
169.10088	4.2
171.11670	5.4
173.09637	2.4
173.13232	3.2
175.11235	16.7
181.12289	6.3
183.05031	2.4
183.11720	2.7
184.07373	17.0
185.07727	2.9
185.13275	4.1
189.11293	2.5
191.10680	3.9
193.12248	46.4
211.13283	66.2
213.14615	2.5
221.05132	2.4
227.12863	9.1
229.14323	3.8
243.21098	3.8
245.05122	6.3
257.04929	2.0
261.22110	11.9
265.14526	2.4
267.15948	13.2
273.22040	2.6
275.53168	1.9
283.15225	3.0
285.16983	23.3
301.21625	2.5
317.24896	2.9
335.25812	58.9
337.27118	5.4
351.22986	2.5
355.17514	6.7
359.26154	2.6
367.84955	2.7
369.24167	4.9
387.25272	4.6
405.26248	2.8
411.19858	2.4
413.40250	2.4
429.21240	16.4
443.28278	2.6
453.33426	2.6
461.28842	4.3
479.29846	3.0
527.37286	12.4
545.38354	72.8
546.38177	2.8
653.40149	9.0
671.41370	6.3
689.42542	35.0
707.42963	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	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83006	2.0
53.03947	14.5
55.01875	9.5
55.05514	35.8
57.03441	20.7
57.07059	4.3
58.57320	2.0
65.03925	3.1
67.05509	92.4
69.03436	20.7
69.07070	21.8
71.04996	12.4
73.02946	1.9
79.05496	68.2
80.30721	1.9
81.03424	100.0
81.07058	79.6
83.04982	38.9
83.08624	28.8
85.02914	22.7
85.06540	4.6
87.30927	2.0
91.05483	54.9
93.06483	4.2
93.07048	66.2
95.04974	28.1
95.08614	63.0
97.02895	21.7
97.06520	9.0
97.10151	7.0
99.04462	5.5
105.07035	40.6
107.04956	10.8
107.08604	34.3
109.02879	11.6
109.06505	6.1
109.10161	25.3
111.04441	16.2
111.08102	11.6
115.05481	1.9
117.07021	13.1
119.08589	38.7
119.98829	2.2
121.06515	6.7
121.10160	29.4
123.08052	4.0
123.11702	7.7
125.09596	5.2
127.03900	8.4
129.05472	8.0
129.07005	16.9
131.08575	25.9
133.06509	3.6
133.10144	19.9
135.07979	2.4
135.11682	18.2
137.09602	4.6
142.07794	5.0
143.08507	6.9
145.06467	3.1
145.10117	15.1
147.07991	3.7
147.11702	25.2
149.09618	8.9
149.13286	9.5
153.12750	4.2
155.08592	3.6
157.10129	16.5
159.11754	10.9
161.09645	3.9
161.13231	3.7
163.03903	4.5
163.11171	4.7
163.14813	3.3
165.12752	4.5
171.11707	5.0
173.13281	7.2
175.11186	13.0
181.12227	4.9
184.07364	2.3
185.13274	4.6
191.10655	6.5
193.12256	35.3
193.13887	3.0
199.11060	1.9
199.14786	2.5
209.11526	2.5
211.13289	70.6
219.46480	2.0
227.12775	10.9
229.14401	6.3
243.21068	2.8
249.14818	3.5
258.78076	2.2
261.22134	13.1
267.13605	2.7
267.15936	13.4
283.15298	4.6
285.17001	22.9
317.24902	3.7
335.25818	70.1
337.27335	6.7
351.22910	2.2
355.17715	2.2
357.16824	2.7
369.24225	4.4
372.15860	2.4
387.25562	3.3
411.19952	3.3
429.21387	17.5
459.27350	2.2
461.28769	2.2
479.29993	3.7
527.37262	12.5
530.39270	2.4
545.38416	78.6
546.38361	3.1
615.37128	2.4
633.37701	2.6
635.39227	3.0
653.40503	4.1
671.41504	5.7
679.41119	2.8
683.30029	2.4
689.42474	33.8
707.42029	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	707.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18977	1.0
53.58778	1.1
57.03418	1.1
59.64566	1.1
67.05502	2.1
69.03451	0.9
70.06600	1.5
71.05000	8.7
71.53513	1.9
73.56703	1.0
79.05502	4.0
81.07066	1.7
81.33984	0.9
84.08134	4.3
85.02911	10.8
91.05486	2.8
93.07066	2.5
94.06578	6.0
95.07365	1.6
96.04532	1.4
96.08152	2.3
97.06552	1.3
98.97594	1.4
99.43198	1.0
103.05451	2.1
105.05753	0.9
105.07056	1.8
106.06557	3.6
107.07344	1.4
108.08132	10.2
110.09669	4.9
114.39212	0.9
117.06907	1.4
118.06556	2.4
120.08117	39.3
121.08829	2.3
122.06046	15.8
122.09680	16.5
128.06258	1.2
129.05469	3.5
129.07022	3.4
130.06535	1.3
131.04993	1.2
131.07312	17.0
134.05992	1.0
136.07581	7.2
138.09143	18.9
144.08049	2.4
145.08939	1.2
146.09648	21.6
150.05518	3.4
153.01825	7.9
159.06876	2.7
160.07599	2.1
162.05531	3.5
162.09138	1.5
162.53268	1.0
164.07114	3.5
165.01884	1.6
166.08714	1.7
174.09155	100.0
182.08246	1.7
190.08746	1.4
192.10199	51.9
196.07671	1.2
204.06599	1.8
213.10262	7.5
218.08214	3.2
225.06580	6.1
225.10184	1.7
226.07417	3.7
229.09814	4.0
236.09227	13.9
237.10300	3.9
239.08160	6.9
239.11786	2.4
240.08997	4.0
241.09775	2.4
243.07726	1.7
243.11311	2.5
245.13054	1.5
246.07692	1.7
249.10281	2.4
251.08264	1.6
253.09830	2.0
257.09256	2.2
257.12769	1.1
264.08972	1.3
265.09656	5.8
267.08057	3.0
267.11420	13.8
269.09381	1.6
269.13080	1.1
270.05276	1.7
271.05927	1.5
278.08063	1.6
279.11404	1.1
283.10730	1.7
285.08734	30.2
285.12027	2.4
286.09689	2.2
287.10434	1.7
287.14136	1.7
293.09335	3.8
295.10876	3.8
297.08984	1.6
297.12433	1.6
299.05640	1.1
299.10641	1.6
299.14014	4.2
303.09903	2.1
309.07544	1.5
311.10287	3.2
313.11761	1.3
317.11349	15.0
321.08685	6.7
327.09152	1.2
329.11377	1.9
339.09775	27.5
355.08145	35.1
356.14038	1.4
357.10989	2.7
358.15643	1.5
358.19647	1.2
368.13678	1.2
371.12433	14.6
371.16830	1.5
381.09784	8.1
388.16782	1.3
399.10782	49.8
400.11102	1.9
401.17096	1.8
402.18497	1.7
412.16611	1.2
415.16437	1.7
418.17865	1.8
428.16214	1.4
429.17200	1.1
430.17880	4.6
432.19235	5.0
448.18311	5.6
458.17093	6.7
462.20908	2.2
476.18121	5.6
480.21133	5.9
480.79065	1.1
490.20050	5.7
491.20734	4.9
492.21313	3.5
508.20840	58.3
509.21506	2.8
535.19592	1.8
536.20593	2.3
540.23438	17.3
541.24200	1.3
550.21899	2.3
581.23767	1.5
587.08209	1.2
599.24664	1.2
607.21808	2.1
613.26550	3.2
625.22876	10.5
639.24084	4.2
643.24060	9.2
657.25677	21.5
671.26465	1.7
675.26740	18.6
689.28107	24.5
690.29187	1.4
707.29315	43.2
708.87579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72082	0.6
53.03938	0.9
55.01866	1.2
55.05507	2.0
57.03443	4.2
57.32007	0.7
61.02913	1.7
61.81604	0.6
65.03934	1.0
67.01878	1.3
67.05508	1.1
68.99791	2.3
69.03428	2.6
69.07061	0.9
69.97870	1.8
69.98261	1.1
70.06581	2.0
71.04996	22.6
73.02930	1.7
75.04486	1.3
76.36060	0.6
79.05492	1.2
81.03423	1.4
83.04998	3.2
84.08149	3.1
85.02911	27.9
87.04439	0.9
91.03963	1.8
91.05470	1.3
94.06571	1.4
95.04996	0.9
96.23641	0.7
97.02901	2.6
97.06557	0.9
98.21465	0.6
99.04518	0.8
105.07024	1.0
108.08126	1.3
111.00832	2.2
111.04461	1.1
117.07079	0.8
119.08567	0.9
120.08138	1.6
122.06037	5.6
122.09665	1.2
123.04408	1.2
124.07570	0.9
127.03932	1.1
128.06223	0.7
129.05475	6.2
129.06943	0.9
131.04997	0.9
136.07550	1.4
137.02385	1.1
138.09158	1.6
139.03902	1.5
141.03778	0.7
143.08606	0.9
145.04947	0.8
145.06493	1.0
147.04430	1.8
147.06511	1.9
150.05519	3.9
152.07071	4.5
153.01837	100.0
153.07014	2.0
155.03412	1.0
157.06531	1.5
159.08038	1.0
160.05206	1.2
161.05972	4.0
161.27908	0.6
162.05571	0.9
163.03949	1.6
164.07123	1.3
165.01839	4.7
165.12834	0.7
166.08664	2.6
171.08052	1.4
172.03975	2.0
173.06035	2.3
175.07558	2.1
177.05467	0.9
179.03410	0.7
181.06505	1.9
181.99649	0.7
183.02936	1.0
183.08055	1.7
187.03882	0.8
187.07549	2.0
188.08339	0.8
189.05495	1.0
189.09140	2.4
192.06512	1.0
194.08118	5.2
195.02957	1.0
195.08105	0.9
199.07527	3.6
201.05402	3.8
201.09102	1.8
201.96016	0.7
203.03413	2.0
203.07050	1.7
204.06541	3.7
211.07571	0.7
212.09218	1.6
213.05502	1.2
215.07082	2.2
217.04942	1.3
217.08652	1.1
225.05396	0.8
227.03387	0.7
227.07065	5.5
229.05020	1.5
229.08656	4.8
229.86589	0.6
231.06575	1.5
242.05817	0.8
243.11440	0.9
245.04585	0.8
245.08134	2.6
251.08246	0.7
252.08888	1.0
253.05069	1.2
253.09769	1.3
255.06508	10.9
255.11266	1.7
267.07413	0.9
267.11322	1.5
269.04495	1.2
269.08875	1.3
270.05225	2.1
271.06027	1.9
273.04553	0.9
273.07574	25.1
279.06781	0.8
281.09195	1.1
282.05276	2.4
283.06070	1.0
283.10745	1.2
285.03943	1.9
285.12473	1.0
295.06052	1.8
295.10806	2.0
296.06705	0.8
297.03906	2.0
297.07663	2.4
297.12366	1.5
298.04773	2.2
299.05493	1.7
302.04321	1.4
303.04889	1.5
306.05319	0.9
307.09875	1.8
309.07983	2.0
311.05518	5.7
311.09369	2.6
313.03433	4.3
315.05240	0.8
317.08157	1.2
317.11520	0.9
323.05731	1.1
323.10071	2.0
324.06250	2.4
325.07108	2.5
325.10794	1.2
326.04233	1.6
326.08896	1.1
327.05017	5.8
327.08759	1.6
329.11340	2.0
329.14896	1.2
334.04794	1.4
335.05511	1.3
335.08981	3.4
337.07227	3.4
339.05026	2.6
339.08698	1.5
340.05850	1.3
341.06775	1.8
341.11386	6.5
343.12860	2.7
351.04910	0.8
353.10165	5.3
355.03751	1.6
355.08157	30.5
355.12183	1.2
359.23370	0.9
363.08582	4.9
367.21964	1.2
369.10818	9.9
371.12506	2.4
381.09702	61.1
399.10770	99.6
400.10986	1.5
401.13388	11.5
423.10513	1.0
441.11957	1.2
508.21335	3.1
509.14328	0.9
540.23315	3.1
543.14478	0.9
561.15826	1.0
582.24670	1.0
625.23346	1.8
643.23395	1.0
657.25958	3.4
675.26074	1.5
689.27789	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	707.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52480	0.3
69.81738	1.7
73.80982	0.3
80.67122	0.3
82.99866	1.2
94.99866	0.3
98.21471	0.5
101.00883	6.0
101.99190	0.3
110.01354	0.4
113.00840	1.2
119.01926	7.7
120.02086	0.3
122.01402	1.7
127.02400	2.0
128.01358	0.8
131.01909	3.6
137.01884	0.7
137.02887	0.6
139.02370	0.8
143.01904	18.8
145.03471	6.1
147.01360	0.7
149.01892	0.9
152.02431	1.1
153.03998	0.6
155.01880	9.7
157.03458	3.0
158.02400	0.6
161.02971	13.1
163.04494	0.5
167.01901	9.1
169.03490	2.5
171.01437	0.4
171.05043	2.0
173.02974	12.0
174.38161	0.3
175.04555	0.8
179.01813	3.0
181.03395	0.7
182.03465	0.5
185.02954	31.8
186.03069	0.4
187.04527	3.1
191.03987	0.6
194.03410	0.5
196.04642	0.4
197.02956	12.8
203.03954	9.2
203.54089	0.5
208.04451	0.5
209.02940	1.5
214.92810	0.3
215.04008	7.2
221.05074	0.4
224.04503	0.8
227.04012	8.0
233.05193	0.4
239.04121	0.7
245.05078	100.0
246.05299	2.1
254.05508	0.5
257.05045	5.7
263.03329	0.7
263.06140	13.5
264.06351	0.3
275.06116	12.2
284.06677	2.9
284.56873	0.6
286.07806	0.3
287.06128	0.5
293.07187	3.2
300.87088	0.5
302.86560	0.4
305.07178	12.3
317.07123	0.9
319.07657	0.3
320.08109	0.4
326.84702	0.5
328.84583	0.4
335.08228	3.2
347.08176	0.9
365.09320	43.5
365.59467	1.3
366.09595	1.0
383.10565	1.7
407.10507	0.8
425.11426	43.5
426.11459	1.1
435.12756	0.3
437.11307	2.5
455.12433	2.9
485.13223	1.3
527.15240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.1
56.05043	0.6
57.07063	0.2
58.06630	0.4
59.07400	0.2
60.08166	6.4
67.05506	0.2
70.06599	0.1
71.07378	3.5
71.08612	0.1
79.05502	0.1
81.03414	0.1
81.07057	0.2
83.08640	0.1
86.09709	32.1
87.04462	0.3
87.10053	0.2
91.05474	0.1
93.07002	0.1
95.04980	0.1
95.08617	0.2
98.98467	3.2
104.10749	2.4
104.89333	0.1
105.07022	0.1
105.35560	0.1
119.08569	0.1
125.00008	21.4
143.01039	0.2
163.01549	0.1
166.02647	0.2
184.07346	100.0
185.07701	0.6
226.63014	0.1
496.34045	0.2
590.08691	0.1
596.03076	0.1
606.03485	0.1
609.26434	0.1
688.45062	0.1
706.46558	9.7
707.46692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
64.64244	0.3
69.03423	0.5
69.40295	2.2
69.40695	0.7
71.28250	0.4
75.60080	0.4
82.58646	0.4
82.99870	1.4
85.02890	1.0
94.99899	0.4
97.02868	1.2
98.17960	0.4
98.20759	0.7
101.00885	5.2
107.96884	0.3
108.59492	0.3
109.02881	0.4
110.01375	0.4
113.00891	1.2
119.00986	0.5
119.01928	7.1
122.01387	4.6
122.51493	0.6
127.02408	1.5
128.01378	0.9
129.00314	0.4
131.01917	7.3
131.52005	1.0
134.01341	0.6
137.01950	2.5
137.51996	0.4
139.02397	0.7
139.20827	0.5
143.01901	24.2
143.51958	1.0
145.03479	5.7
145.04611	0.7
145.04985	0.5
149.01888	1.7
149.51884	0.4
152.02423	1.3
152.52522	0.5
153.04048	0.4
155.01901	10.6
157.03497	3.6
158.02431	0.8
161.02971	14.3
164.02448	1.1
167.01909	9.2
167.03276	0.4
169.03496	2.7
170.02295	0.6
171.01431	0.5
171.05040	2.1
173.02975	18.2
173.53015	1.1
174.03094	0.5
175.04507	0.8
179.01765	3.7
179.03244	0.5
181.03499	0.7
182.03545	0.8
185.02963	34.5
186.03003	0.7
187.04515	3.5
191.04073	0.8
193.28166	0.4
194.03482	1.5
197.02965	12.5
199.04517	0.9
203.03981	11.6
203.05710	0.8
203.54092	1.1
209.02914	1.2
215.02057	0.7
215.04036	8.6
221.05020	0.6
224.04599	1.6
224.54712	0.7
227.04015	8.3
239.04086	0.5
240.15216	0.4
245.05083	100.0
246.05330	2.2
254.05626	1.0
254.55762	0.4
257.05109	5.0
263.06131	12.1
264.06589	0.4
270.75827	0.4
275.06125	11.3
276.06424	0.5
284.06656	6.2
284.56732	1.5
286.07748	0.4
287.05984	0.7
293.07193	3.0
305.07208	12.6
317.07230	0.8
335.08182	3.3
347.07999	0.6
364.09802	0.4
365.09320	46.1
365.59525	2.5
366.09427	0.8
383.10419	1.9
406.12268	0.6
407.10547	1.0
425.11429	43.7
426.11600	1.3
437.11429	2.8
455.12411	3.3
485.13004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.2
56.05037	0.8
57.07072	0.4
58.06359	0.2
58.06613	0.5
59.07394	0.2
60.08168	5.9
66.90517	0.2
67.05499	0.3
70.04333	0.6
71.05054	0.2
71.07377	3.2
81.03426	0.3
81.07033	0.2
83.04971	0.3
85.02905	0.2
85.61033	0.2
86.09711	30.9
87.04483	0.8
87.10036	0.4
91.05468	0.3
93.07024	0.3
98.98469	3.0
104.10751	2.3
125.00011	19.9
139.12155	0.2
143.01083	0.2
163.11429	0.1
166.02679	0.2
184.07347	100.0
185.07703	1.4
186.07845	0.4
265.97952	0.2
292.53360	0.2
411.89581	0.2
448.21896	0.2
469.32202	0.2
475.20807	0.2
476.21692	0.6
536.23920	0.6
549.25305	0.2
550.24927	0.3
571.84229	0.2
608.26440	1.1
609.26532	3.3
706.46497	12.2
707.47198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01875	16.8
55.05278	2.2
55.05516	31.2
56.47961	1.3
57.03207	1.3
57.03445	19.4
57.07076	2.7
59.04988	4.8
61.02935	11.0
65.42689	1.3
67.05184	2.3
67.05511	35.7
69.03436	9.9
69.07071	10.4
70.06579	1.3
71.01347	2.5
71.04988	6.2
71.53326	2.7
73.02920	7.1
78.04755	1.5
79.05498	37.5
80.05846	1.6
81.03421	35.6
81.07063	35.2
82.04212	4.2
82.07382	1.2
83.01356	8.1
83.04494	1.8
83.04981	26.2
83.08615	21.1
83.72041	1.6
85.02921	15.0
85.06541	2.1
86.09722	7.3
91.03975	3.7
91.05485	28.7
93.07047	41.7
95.04983	18.6
95.08616	15.4
97.02907	12.8
97.06551	11.7
97.10172	11.9
98.07321	4.0
99.04446	5.0
99.08079	2.8
103.73068	1.4
105.07037	21.8
107.04967	10.5
107.08595	22.4
109.02869	3.0
109.06529	10.8
109.10172	14.8
111.04453	5.7
111.08086	5.9
114.54020	1.5
116.04724	8.6
117.07040	10.4
119.08573	16.1
121.06510	4.8
121.10154	16.0
123.04452	1.8
123.08073	12.6
125.00084	2.0
125.05996	2.1
125.09650	15.4
127.03944	1.8
129.05482	24.9
129.06972	3.8
130.07747	2.8
131.08575	9.1
133.10143	9.2
135.08060	7.3
135.11705	19.2
137.09622	2.5
143.07022	4.6
145.06496	1.9
145.10139	19.6
145.26602	1.5
147.08046	4.6
147.11681	6.7
149.09578	4.3
153.09142	2.9
153.12772	7.5
155.08609	1.9
157.08607	10.8
157.10001	3.4
161.09615	2.0
163.11189	32.1
165.09134	1.9
171.06580	1.6
171.10181	4.3
173.09595	5.7
173.11707	4.8
175.11212	3.3
179.10739	1.8
181.12198	6.2
182.97562	1.4
184.07356	17.6
185.11775	2.0
189.11238	5.8
191.10698	6.2
193.12259	4.3
199.13254	8.4
200.14206	1.6
209.11728	15.8
210.12534	2.3
227.12785	19.8
229.14368	4.6
255.15968	1.9
267.15875	8.8
269.17697	1.6
277.21686	1.8
283.15414	100.0
284.15994	3.4
301.16479	74.1
302.16730	2.1
337.16544	3.4
365.19498	2.2
383.22122	1.6
425.25125	3.2
437.25613	9.4
457.25677	3.0
473.28778	4.0
475.26962	7.8
491.26337	7.6
492.27066	6.5
493.28021	3.1
509.27451	93.0
527.28394	4.5
529.73303	1.9
602.26746	2.7
656.34686	1.7
707.97821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01881	3.4
55.05518	5.2
56.05032	0.9
57.03205	0.6
57.03437	5.3
61.02927	3.1
62.06092	1.1
65.03931	0.7
67.05245	0.6
67.05506	7.2
68.99781	1.9
69.03432	12.9
69.07066	4.2
69.18231	1.9
69.18645	5.0
70.06588	3.5
71.01344	0.7
71.04992	13.4
71.07370	1.1
71.08630	7.7
71.44277	0.6
72.08160	4.4
73.02911	2.6
76.21325	0.7
79.05495	12.2
79.25555	0.6
81.02988	1.0
81.03418	10.3
81.07059	9.4
83.04979	4.0
83.08616	1.3
83.75620	0.7
84.04506	1.0
84.08139	1.8
85.02908	24.9
85.06526	1.5
86.06069	45.5
86.09706	1.3
87.00829	4.3
87.04472	1.9
91.03938	1.4
91.05478	5.2
93.07048	7.4
95.04980	3.7
95.08595	3.7
96.08131	11.5
97.02888	8.1
97.06533	11.3
98.06068	2.4
98.09692	14.4
98.21548	1.3
98.97581	1.3
99.04448	5.2
99.08098	7.1
100.07599	1.2
100.11259	1.1
101.02341	0.8
105.01875	1.5
105.07053	4.7
107.04961	6.1
107.08587	4.8
108.08134	3.4
109.02891	10.2
109.06518	1.5
109.10142	1.4
110.09666	1.4
111.04443	3.6
111.08069	0.7
112.07634	0.7
113.06030	1.1
114.09187	2.0
115.03938	0.9
116.10735	100.0
116.98635	1.0
117.07021	1.9
117.09203	0.7
117.11049	0.7
119.08592	4.7
120.08073	0.9
121.06534	0.8
121.10148	13.4
122.06192	0.7
122.09676	2.6
122.10493	0.7
123.08096	2.0
123.11716	0.8
124.07609	4.5
125.05979	2.7
126.09180	1.4
127.03928	15.7
129.01840	0.8
129.05493	4.3
129.06982	1.3
131.08583	5.0
133.10176	1.9
135.08058	1.5
135.11697	2.0
137.06036	0.7
138.09158	1.0
139.07506	0.8
140.10710	1.5
142.08643	18.1
142.12267	4.0
143.10674	3.4
145.04967	1.8
145.06483	0.9
145.10120	7.4
147.02943	0.9
147.08089	0.9
147.11705	1.6
149.09598	6.1
152.10693	1.8
153.01863	1.3
153.09128	0.7
154.12253	2.2
155.08585	2.1
159.02890	1.7
163.03850	1.3
163.11188	4.0
165.09088	1.3
165.12726	0.8
166.09529	0.8
167.10695	6.7
173.09622	3.7
182.15446	0.8
184.07295	1.2
185.11783	2.7
187.06027	1.1
191.10677	7.0
193.12212	0.8
196.17012	1.3
209.11807	3.1
213.03873	1.0
214.18027	21.4
215.06955	1.2
217.05028	2.0
225.11246	0.7
227.12744	1.0
229.05016	0.8
231.04994	1.7
237.02834	0.9
243.12328	0.8
245.04507	2.2
257.04401	1.2
259.09698	3.8
262.21799	1.1
264.19684	1.5
273.03958	3.3
280.22842	4.6
282.20731	3.9
282.23517	0.7
285.04047	1.7
287.05600	0.9
299.05444	5.2
301.03452	7.3
302.04111	1.1
303.04926	3.7
303.87979	0.8
306.20673	3.8
311.05374	0.7
313.03418	16.0
313.06998	0.9
320.17249	0.7
324.21686	7.9
325.07343	1.6
326.04092	1.4
326.16055	0.7
327.08704	1.4
329.12491	1.4
342.22754	47.3
344.24350	8.5
347.13367	2.6
355.08157	12.5
360.23816	40.0
364.16046	2.5
399.10748	86.3
418.24341	1.3
440.30133	11.6
458.31152	40.3
462.23325	10.8
509.27621	0.7
522.29053	1.3
546.29114	3.9
564.30212	3.3
572.27002	0.7
590.28113	11.6
608.29132	56.2
609.29297	1.7
620.35614	1.7
644.35162	0.8
662.37445	3.2
688.35175	4.2
706.36499	30.9
707.36603	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48344	0.2
56.05045	0.8
57.07075	0.3
58.06634	0.6
60.08166	6.5
69.17722	1.4
71.07375	3.4
79.05495	0.2
81.07062	0.3
83.04987	0.2
86.09710	32.3
89.06033	0.2
93.07075	0.1
95.08627	0.2
98.98471	3.3
104.10745	3.0
117.53938	0.1
125.00011	21.8
128.31950	0.1
133.08607	0.3
143.01074	0.2
166.02623	0.2
184.07349	100.0
185.07874	0.3
211.85616	0.1
246.37746	0.2
256.41934	0.2
415.99506	0.2
702.46979	9.3
703.47650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.8
57.07077	0.3
58.06625	0.5
59.07381	0.2
60.08165	6.8
67.05508	0.2
69.32207	1.0
71.06985	0.2
71.07375	3.6
71.08585	0.1
79.05503	0.2
80.97437	0.1
81.07044	0.4
83.04990	0.3
86.09709	32.6
87.10001	0.1
89.82372	0.1
91.05517	0.1
91.73802	0.1
93.07026	0.2
95.08616	0.3
98.98461	3.5
104.10745	3.0
125.00011	21.4
131.14957	0.1
143.01093	0.2
163.11194	0.2
184.07347	100.0
185.07721	0.4
496.34296	0.2
608.26318	0.2
694.16083	0.1
704.44983	15.9
705.44745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.1
56.05043	0.6
57.07059	0.2
58.06620	0.5
59.07397	0.2
60.08165	6.7
60.32186	0.1
66.88477	0.1
67.05484	0.2
69.65392	0.6
70.06570	0.2
71.07375	3.4
78.68076	0.1
79.05477	0.1
80.97433	0.1
81.03400	0.1
81.07047	0.2
83.04978	0.1
86.09708	32.0
87.10037	0.2
91.05453	0.1
95.08627	0.1
98.21488	0.2
98.98466	3.1
104.10748	2.4
107.08570	0.1
109.10142	0.1
121.10239	0.1
125.00008	22.6
143.01013	0.2
159.88383	0.1
166.02644	0.2
184.07343	100.0
185.07684	0.5
305.86478	0.1
448.20889	0.1
496.34122	0.2
599.56470	0.1
602.61658	0.1
607.05432	0.1
704.44995	7.5
705.45270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
57.06841	0.4
57.07080	4.8
58.06605	1.8
61.25249	0.3
61.91442	0.5
65.03946	3.1
67.05524	0.7
69.03431	0.5
69.52331	1.2
69.52749	1.0
70.06596	14.1
71.08618	1.9
72.08156	0.7
79.59986	0.3
81.03412	0.4
81.07043	0.8
84.08131	0.5
85.10183	0.5
86.09703	1.1
88.07636	14.7
93.07033	0.8
95.08601	0.6
98.21493	0.6
102.09187	11.3
107.08589	0.3
116.57704	0.3
121.02862	1.3
131.04929	0.4
132.10233	1.6
139.03920	1.4
146.11751	1.5
147.04453	0.8
149.02356	46.3
149.03439	4.0
175.03957	1.0
177.05461	0.5
184.07343	1.0
193.04971	23.2
208.30766	0.3
212.23756	0.5
219.06599	1.2
225.05522	1.0
237.07539	3.5
238.25224	0.4
256.26364	35.8
257.26630	0.4
263.09106	0.4
269.04639	0.4
297.04080	0.8
300.28964	5.4
313.07211	1.0
341.06616	3.3
356.48102	0.3
359.07626	2.3
367.10028	0.4
385.09152	8.6
387.10599	0.6
403.10263	8.7
429.11850	16.6
430.12253	0.4
473.14514	9.5
484.37744	0.3
538.30658	1.2
539.31232	0.6
540.31537	2.4
640.35596	0.6
684.37659	0.9
702.38159	100.0
703.38733	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	700.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64945	0.3
52.79093	0.3
53.27324	0.3
55.01865	0.6
56.46567	0.3
57.03436	0.5
60.04512	0.3
60.35472	0.3
61.02921	1.2
63.94449	0.3
64.83891	0.3
65.03934	0.6
67.05497	0.3
69.03446	1.8
70.06577	1.2
71.04990	0.5
71.54075	0.3
72.08160	0.3
77.03893	0.3
79.05497	0.4
81.03410	1.8
81.07035	0.7
84.04526	0.4
85.02905	8.3
85.12923	0.3
85.21317	0.3
86.09714	0.5
91.03953	0.7
91.05481	1.2
93.03429	0.3
94.04192	1.0
95.08651	0.8
97.02888	2.4
98.97630	0.4
103.05459	1.3
105.07034	0.4
107.04935	0.4
107.08549	0.4
109.02875	0.8
109.06498	0.7
111.04427	0.8
115.05453	5.4
117.07018	1.5
119.04977	0.5
119.08599	0.7
120.08082	0.4
122.03652	3.0
123.08066	0.3
125.05996	1.3
127.03916	1.8
128.06232	0.9
129.07005	4.4
129.30264	0.3
131.04922	2.8
137.05980	71.6
138.06319	0.5
143.04929	10.5
144.05678	1.2
145.04990	2.1
145.06447	1.3
146.03651	0.7
147.04420	0.7
149.06003	0.7
151.03886	0.8
151.07590	1.0
153.05472	2.0
155.06091	0.3
157.06490	4.7
160.05205	13.9
161.05992	2.2
162.07607	0.5
163.06099	0.7
163.07558	2.4
164.66365	0.3
172.05176	2.3
173.05965	0.6
174.06769	1.3
175.07547	100.0
176.07924	0.9
177.05434	0.6
177.09096	0.7
179.06979	0.7
180.08626	1.1
187.07550	34.4
188.07961	0.4
189.09103	7.8
191.08601	0.4
191.44989	0.3
196.05202	0.4
199.07573	0.8
202.07767	0.4
203.08522	1.7
205.08603	29.2
207.10196	0.3
207.13933	0.3
211.07538	1.3
217.08591	3.7
219.01801	0.3
219.08170	1.4
220.08632	0.3
227.07219	0.4
231.08055	2.0
235.09656	43.8
239.07047	1.1
240.07756	0.8
247.07587	1.1
248.08304	2.0
251.10715	1.0
255.06546	1.1
256.07294	0.4
259.07602	1.1
261.09225	0.5
263.10693	2.5
264.07697	0.4
265.08688	0.3
270.06070	0.3
270.08749	1.9
271.09650	4.2
276.07800	1.3
277.08722	0.3
279.10208	1.7
283.09662	1.0
291.07053	0.6
291.10129	6.2
292.10574	0.4
293.08066	0.6
296.10394	0.5
298.86652	0.3
308.10352	0.9
309.11108	0.6
311.12708	2.6
323.12784	7.6
341.13843	12.8
361.98703	0.3
609.55914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
61.54996	0.2
67.05511	0.4
70.22752	0.2
70.23093	0.5
81.07070	0.2
84.43423	0.2
85.02881	0.2
95.08624	0.3
144.18826	0.2
155.01865	0.2
173.02989	0.3
185.04218	0.8
195.46860	0.2
210.52948	0.2
259.08051	0.6
301.20184	0.7
309.85645	0.2
325.23737	0.2
342.23056	0.2
347.09506	1.2
360.16522	0.2
375.25037	0.2
421.13278	0.2
502.11539	0.2
537.30377	20.4
538.30945	0.5
699.35614	100.0
700.35846	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	699.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
54.93312	0.6
55.05514	1.3
57.03428	1.8
59.21954	0.5
61.02924	4.0
67.05491	3.0
68.33412	0.6
69.03427	2.2
69.07063	1.0
70.06600	0.9
71.04997	2.0
71.53762	0.9
73.02914	2.8
79.05495	3.3
81.03429	3.3
81.07085	3.1
83.05001	0.8
83.08635	0.9
84.96069	0.8
85.02922	3.8
85.06551	0.8
86.09707	0.9
87.04502	1.1
91.03975	1.7
91.05489	2.4
93.07047	3.6
95.04964	1.2
95.08628	1.3
96.21542	0.6
97.02920	2.7
97.06557	1.0
99.04479	0.6
99.61954	0.7
101.02410	1.5
105.07033	1.1
107.08607	2.8
109.10184	1.2
111.08104	0.7
117.06992	0.9
118.25750	0.6
119.08602	1.6
121.10170	1.5
127.03947	1.4
131.08566	1.0
133.10175	1.2
135.11702	2.5
145.10147	1.0
147.11758	1.1
149.09624	1.6
151.11209	0.6
157.10190	1.2
163.11194	0.8
166.58665	0.7
175.14993	0.8
181.12318	0.8
184.07433	1.0
193.12311	0.9
211.13226	0.8
221.11484	1.0
229.07433	1.5
243.08482	1.0
247.08627	0.9
283.15222	2.9
339.17993	0.8
351.14749	0.7
439.19443	7.9
469.20779	0.7
501.23181	8.4
511.11624	4.1
699.35632	100.0
700.35864	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46034	0.2
53.03935	0.6
55.01885	0.2
55.05514	0.9
57.03438	1.6
61.02932	3.7
66.15489	0.2
67.05511	1.9
69.03437	2.7
69.07068	0.7
69.39574	1.7
71.01378	0.2
71.04991	1.0
73.02927	2.9
75.12542	0.2
79.05497	2.0
81.03423	4.3
81.07068	2.1
83.04993	1.0
83.08623	1.2
85.02910	6.6
91.03962	1.9
91.05487	3.2
92.69281	0.2
93.07047	1.8
95.04977	1.8
95.08616	1.0
97.02896	3.7
97.06557	0.6
97.10133	0.3
99.04461	0.6
99.08089	0.3
101.02390	1.4
103.03944	0.3
105.07032	2.1
107.04981	0.7
107.08601	0.9
109.02905	0.8
109.06518	0.3
109.10194	0.6
111.04432	0.3
111.08103	1.1
115.03981	0.5
115.05480	0.3
117.07027	0.2
119.04910	0.2
119.08612	1.9
120.08125	0.2
121.10152	0.9
123.08147	0.3
127.03936	1.3
129.07018	1.2
131.08548	1.0
133.06497	0.3
133.10121	1.6
147.11720	1.5
149.09692	0.7
157.10129	1.6
165.12784	0.3
175.11200	1.2
177.05547	0.2
180.58382	0.2
185.04271	0.5
193.12245	2.4
203.05397	0.5
208.55295	0.2
211.13298	1.2
243.08395	2.0
251.12604	2.1
271.08533	0.2
285.16876	0.5
307.15179	0.8
359.94415	0.3
391.27847	0.2
419.19263	0.2
469.20468	11.9
535.28864	0.5
697.34064	100.0
698.34576	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	695.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05423	0.3
55.05647	0.2
56.17582	0.2
56.96428	4.2
56.96746	2.8
57.03358	0.3
61.02809	0.3
67.05373	0.5
69.06945	0.5
69.07288	0.4
69.24442	1.6
69.24864	0.5
71.05253	0.2
71.95101	0.8
72.95916	0.4
72.96273	0.3
74.97505	0.3
79.05314	1.0
79.05809	0.3
81.03272	0.3
81.06893	2.0
81.07407	0.5
83.04855	0.4
84.95914	0.3
85.02769	0.4
86.09588	0.2
89.19580	0.2
91.05315	0.6
91.05840	0.2
91.55112	0.2
91.67436	0.2
92.61341	0.2
93.06920	0.4
95.04826	0.2
95.08431	0.6
96.82057	0.2
97.02737	0.5
97.03270	0.2
97.96714	0.4
98.97445	0.4
105.06861	0.4
107.08457	0.4
109.09965	0.5
110.97397	1.5
119.08434	0.4
120.26223	0.2
121.06344	0.3
121.09972	0.3
123.01078	0.2
127.00549	0.2
127.03770	0.5
128.98415	1.4
131.00021	0.2
131.08394	0.4
133.09978	0.4
137.02542	0.3
139.00526	0.3
141.02113	0.4
143.00066	0.3
145.01584	0.3
146.99451	0.7
147.11528	0.4
153.02010	0.4
153.03601	0.2
155.03647	0.4
155.10489	0.3
159.03278	0.3
161.01056	0.6
161.04793	0.2
163.03778	0.4
167.03702	0.3
169.01640	0.5
169.05135	0.3
171.03090	0.8
173.04726	0.5
181.05234	0.6
183.03143	0.4
183.06786	0.3
184.07126	0.8
185.04880	1.2
186.01750	0.2
187.06273	0.4
189.04240	0.4
191.05702	0.3
195.06728	0.7
198.05533	0.3
199.02492	0.3
199.06412	2.6
201.04129	0.5
201.07802	0.4
203.05855	1.1
205.01526	0.3
205.07355	0.9
207.06706	0.5
207.44409	0.2
211.06331	1.6
213.04324	0.3
213.07962	5.4
217.07469	3.6
219.08896	0.2
221.04826	0.2
221.08380	0.3
223.02650	0.6
223.06276	0.5
223.08238	0.5
225.06224	0.2
225.07964	2.5
227.05792	0.7
227.09407	0.4
229.07486	11.0
230.07744	0.2
231.09023	4.6
233.08400	0.3
236.09370	0.6
237.04443	0.4
237.07907	1.4
239.09572	2.4
241.07352	0.3
241.11130	4.0
242.08080	0.3
243.09059	2.3
245.10521	0.3
247.08563	5.6
248.09349	0.3
249.07864	0.3
251.05624	0.3
251.09547	4.8
252.08969	1.1
253.10986	0.8
255.06372	0.3
255.09055	5.7
257.06793	0.3
257.10602	1.3
259.12173	2.8
261.07739	0.4
261.10052	0.6
267.08908	0.9
269.10602	21.9
270.10568	0.5
271.12030	0.3
273.10031	2.4
276.08679	0.3
278.10635	0.5
279.08987	1.5
280.09790	1.2
281.10501	0.4
285.10089	0.7
287.08752	0.4
287.11670	6.9
292.12100	1.7
297.10107	2.4
298.10818	1.1
299.11908	0.3
307.15695	0.4
310.13129	0.4
313.14578	0.7
315.11096	1.4
316.11664	0.3
331.15790	9.8
349.16861	12.8
367.17917	100.0
368.18225	1.8
372.18427	1.7
385.18985	11.2
390.19522	0.4
408.20609	8.4
409.20761	0.2
470.33707	0.5
514.32660	0.6
677.39331	1.4
695.41022	17.0
696.41370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	0.8
55.05507	1.6
56.96561	1.0
57.03429	1.3
61.02931	3.3
66.74565	0.4
67.05502	2.4
69.03437	2.3
69.07063	1.0
70.01437	1.9
70.06593	0.7
71.04977	1.3
73.02920	2.5
78.63852	0.4
79.05489	2.9
81.03419	3.6
81.07062	3.0
83.04962	2.2
83.08604	0.7
85.02908	5.5
86.09726	0.6
91.03963	2.3
91.05490	3.6
91.95599	0.4
93.07037	2.9
95.04971	1.9
95.08585	2.5
97.02895	4.9
97.06570	0.9
98.21459	0.5
99.04460	0.6
101.02395	1.0
105.07034	2.3
107.04965	1.1
107.08612	2.4
109.02914	0.7
109.06552	0.7
109.10131	1.3
111.04450	1.1
119.08579	1.7
121.06478	0.6
121.10166	1.5
123.08087	0.6
127.03935	1.4
129.07024	1.0
131.08601	0.8
133.10147	1.2
135.07956	0.6
135.11697	2.7
139.12459	0.5
145.10162	2.0
147.11684	1.2
149.09639	1.1
149.99080	0.4
157.10185	0.8
163.11182	3.6
170.09917	0.4
181.12225	0.8
184.07385	0.8
187.55446	0.5
193.12331	1.3
195.23982	0.5
203.05432	0.6
211.13232	0.7
227.12825	2.2
243.08514	1.6
249.10988	6.8
251.12743	0.8
305.13705	1.8
412.15234	0.4
467.18817	8.6
469.20456	9.2
522.75891	0.4
533.27106	0.8
542.69727	0.5
695.32440	100.0
696.32776	3.6
696.44031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.325
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03944	0.5
55.01871	0.8
55.05521	1.3
57.03436	2.0
61.02925	4.2
67.05514	2.6
69.03438	2.7
69.07059	0.8
70.06614	0.3
71.01357	0.4
71.04988	1.1
71.53670	0.3
73.02921	2.6
79.05499	2.8
81.03423	3.9
81.07051	2.8
83.01368	0.3
83.04998	1.3
83.08630	1.4
85.02915	5.8
85.06528	0.3
86.09689	0.4
90.55266	0.2
91.03959	2.6
91.05489	2.5
93.07053	2.3
95.04963	1.3
95.08607	1.0
97.02892	3.7
97.03448	0.3
97.06528	0.7
97.10189	0.3
99.04468	0.7
101.02374	1.6
105.07030	1.8
107.04975	0.7
107.08624	1.0
109.02876	0.8
109.06534	1.0
109.10163	0.7
111.04475	0.7
111.08084	0.4
115.03944	0.4
117.07035	0.5
119.08572	1.7
121.06523	0.4
121.10149	1.7
123.08079	0.8
123.11739	0.3
127.03899	1.6
129.07028	0.9
130.64020	0.3
131.08586	0.8
133.06438	0.2
133.10184	1.3
135.11710	0.9
145.04953	0.3
145.10121	1.4
147.08122	0.5
147.11766	0.7
149.09653	0.7
157.10159	0.8
163.03973	0.4
163.11232	2.2
173.11897	0.3
175.11212	0.6
184.07378	0.9
185.04250	0.5
193.12210	1.3
203.05374	0.3
203.12497	0.3
209.11761	0.3
211.13396	0.7
243.08313	1.5
249.11081	0.4
251.12662	0.9
260.33032	0.2
267.16019	0.4
269.10599	0.3
283.15585	0.5
285.10233	0.3
293.05493	0.3
467.18918	5.6
469.20477	5.9
695.32477	100.0
696.32880	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	695.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75860	0.2
55.01839	0.5
57.19771	0.2
66.35072	0.2
67.05482	0.4
69.07018	0.5
69.29209	0.2
69.59769	1.2
70.06545	0.6
72.08115	0.2
79.05440	0.2
81.03407	0.2
81.07042	0.3
84.08125	0.4
85.02874	0.3
86.09674	0.4
91.05447	0.2
94.06550	0.2
95.04915	0.6
97.02847	0.2
97.06472	0.3
98.06012	0.2
100.11221	0.3
108.04491	1.6
108.08070	0.3
109.10136	0.2
111.04389	0.2
112.07584	0.2
120.04500	0.3
122.05971	0.8
128.57724	0.2
133.10075	0.2
136.07520	0.8
138.05475	0.5
138.09074	0.2
140.07071	1.0
146.06006	1.0
147.06770	0.3
148.03896	0.3
148.07513	0.7
149.01143	0.2
150.05435	0.4
163.03871	0.5
164.07050	0.3
166.04962	0.7
168.06581	2.8
172.07570	0.3
174.05453	0.7
176.07022	0.2
177.05534	0.3
181.08838	0.2
182.15358	0.2
193.03743	0.2
195.09087	0.2
196.07713	0.2
196.11313	0.3
198.09210	0.3
199.08626	0.9
204.06577	0.5
206.08247	1.0
210.07701	0.3
211.08693	3.8
211.12299	0.8
212.09274	0.9
213.10191	1.1
221.10809	0.9
222.09097	1.2
222.11128	0.3
223.08630	0.5
223.12347	0.5
224.11008	1.4
225.06718	0.2
225.10222	3.8
226.08772	0.3
226.11049	0.7
227.08093	0.6
227.11697	0.5
237.10129	0.3
239.07976	0.6
239.11775	7.4
240.08942	0.6
240.12515	0.5
241.09717	1.4
241.13368	0.9
242.10394	0.6
249.10274	0.8
250.08650	1.1
251.08209	0.8
251.11908	0.4
252.09068	1.2
253.09718	4.8
254.10481	0.6
255.11270	0.6
256.11932	0.2
257.12875	0.7
266.10446	0.3
267.11301	9.9
268.12009	0.4
269.09177	0.3
269.12796	1.7
273.12500	0.2
277.09778	0.4
278.08011	0.3
279.11237	0.3
280.08420	0.3
281.09189	0.5
283.10794	0.3
284.11472	0.6
285.12466	1.1
287.10300	0.2
287.13779	0.3
293.09204	0.2
295.10806	6.0
296.09021	0.3
297.12390	1.1
298.10715	0.3
313.11826	33.2
314.12222	1.0
315.13281	0.7
323.10214	1.6
327.13385	0.3
334.31332	0.2
341.11349	12.5
342.11810	0.3
355.12753	1.2
359.12421	1.7
373.13950	100.0
374.14307	2.4
409.60077	0.2
486.16556	0.2
621.94690	0.2
627.24292	0.6
645.25085	0.8
659.26880	1.5
663.26080	0.2
677.27869	0.7
677.49652	0.3
695.26642	0.4
695.50714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.8
69.03425	1.1
71.11120	2.4
79.05492	3.3
81.03407	1.2
81.05785	1.3
84.52232	1.1
85.02919	1.3
91.05496	3.4
93.05801	1.8
93.07043	2.7
94.06576	9.2
95.07351	2.7
96.08141	4.6
103.05441	2.1
103.80685	1.0
106.06561	4.2
107.07345	4.5
108.08128	21.6
108.47485	1.2
109.06538	1.8
109.08978	1.2
110.06066	1.9
110.09684	8.8
112.21274	1.0
117.07092	1.1
118.06549	1.4
120.04507	1.2
120.08120	24.0
121.08893	4.0
121.75776	1.0
122.06055	12.5
122.09678	31.9
124.03928	1.5
131.07303	4.4
132.08063	3.5
134.06023	12.3
134.09657	2.5
136.07581	11.4
138.05496	5.5
138.09148	28.2
140.03387	1.4
140.10678	3.3
144.08098	2.5
145.09003	1.2
146.05981	1.8
146.09677	5.2
147.06775	1.3
147.74733	1.5
148.03897	1.6
148.07530	3.0
150.05576	5.5
150.09154	2.6
154.04984	2.5
158.09637	1.3
159.06873	1.9
160.07571	3.7
162.05518	59.6
162.09105	1.7
164.07086	4.5
164.10687	2.4
166.08662	19.2
173.10765	1.4
174.09158	30.1
178.67862	1.1
180.06601	1.5
180.10165	3.2
185.10757	1.4
187.08662	2.0
192.10211	20.0
199.08705	4.1
200.07111	1.2
201.10257	4.4
202.08842	1.4
206.11766	1.6
209.10695	1.6
210.09254	1.2
213.06728	1.6
213.10240	5.5
215.08253	5.0
215.11864	3.7
216.08925	1.8
217.09749	1.3
218.08157	4.5
225.10216	3.5
226.08723	1.5
227.08186	8.6
227.11661	1.9
229.09827	7.0
231.11264	3.2
233.12910	1.3
236.09262	2.0
237.10201	3.2
239.08122	2.9
239.11899	3.1
241.09717	8.9
243.11339	5.8
244.09499	1.4
244.12042	2.2
245.12805	2.8
246.07687	1.6
249.10350	1.6
251.08234	1.6
252.08928	1.9
253.09610	6.1
254.10452	1.3
255.07642	2.1
255.11382	2.4
257.09225	1.2
259.10809	18.2
259.13495	1.5
261.12363	4.0
265.09805	4.0
267.11249	6.5
268.12238	1.5
269.09320	5.3
269.12552	5.1
271.10681	3.7
279.11081	1.5
281.09296	1.7
281.12976	1.5
283.10840	3.1
285.08884	2.3
285.12299	4.7
287.10294	22.9
287.13760	3.2
288.11182	1.4
289.11841	6.4
289.15213	2.0
290.94434	1.3
291.25937	1.1
293.09241	1.4
295.10849	4.3
297.08954	1.8
297.12216	2.0
299.10391	2.4
301.12061	2.1
303.13510	1.3
305.11530	1.2
309.12436	2.1
311.10248	5.2
311.13535	1.5
313.11871	10.5
315.09808	1.6
315.13651	2.0
319.12994	9.7
321.14557	2.5
325.11816	2.5
327.13501	3.1
328.14474	2.3
329.11884	1.3
331.12973	1.3
339.09787	4.6
341.11292	3.8
342.16165	2.4
343.13184	2.8
345.14825	2.5
347.16061	1.4
353.11301	2.4
355.12994	1.4
357.10950	10.0
359.12454	2.5
371.12360	5.1
373.13870	4.1
374.15030	1.6
385.14041	3.7
388.16428	2.3
389.13568	6.7
408.15274	1.3
414.18127	2.0
418.17871	2.1
432.19543	2.1
436.14932	4.4
450.19864	2.2
454.16080	2.1
462.16278	2.1
468.17487	4.8
478.19455	3.3
480.17657	1.8
486.18558	7.3
488.14874	1.1
492.21179	2.3
506.15424	1.7
510.22290	2.2
512.19739	1.8
522.18640	2.0
536.20044	2.2
538.21545	3.1
556.19342	5.2
574.20837	1.2
583.25702	2.7
599.24878	2.1
601.26343	2.3
609.23682	6.5
617.25989	6.6
627.24469	28.8
628.25061	1.6
631.27539	1.9
641.26251	7.4
645.25586	52.3
646.26147	2.0
649.28009	3.7
659.27069	30.3
663.26599	15.8
677.28210	100.0
678.27838	3.9
695.29205	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	695.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01589	1.3
55.01869	1.3
62.07634	1.2
67.05505	3.3
70.06600	3.1
71.54408	1.7
72.08155	2.3
72.60318	1.4
79.05495	4.2
84.08163	1.8
85.02953	1.8
86.09733	3.1
87.24766	1.3
91.05486	4.6
93.05765	1.9
93.07038	3.8
94.06570	10.0
95.04963	1.4
95.07363	2.7
96.04499	2.3
96.08146	6.7
97.06571	1.7
103.05463	2.4
105.07107	1.7
106.06555	3.5
107.07339	5.4
108.07442	1.9
108.08125	26.7
110.06054	2.2
110.09686	9.6
118.06538	1.2
119.24818	1.3
120.08118	35.6
121.08863	4.7
122.06052	17.7
122.09682	35.1
124.03975	1.4
124.07583	1.4
129.28227	1.5
131.07320	6.1
132.08131	3.5
134.06021	13.9
134.09659	2.7
136.07562	11.2
138.05499	3.8
138.09148	36.5
140.03380	2.1
140.10750	2.4
144.08034	1.6
145.08894	1.4
146.09674	10.6
148.03867	2.5
148.07620	4.0
150.05530	6.5
150.09145	4.4
152.07050	2.4
154.04944	2.8
158.09692	3.1
160.07607	3.8
161.08409	1.5
162.05516	67.4
162.09140	2.7
164.07089	7.4
164.10780	2.1
165.63681	1.5
166.08662	20.8
172.07614	2.3
174.09160	33.3
176.10669	1.8
178.08516	2.2
180.06651	2.3
180.10197	3.2
185.10788	1.8
187.08701	2.1
192.10236	16.6
197.10777	2.0
198.09341	1.7
199.08708	3.7
200.07149	1.4
201.06511	1.6
201.10231	3.8
202.08771	2.2
203.08173	1.6
203.11818	1.4
210.09164	1.5
210.11171	1.5
211.08559	2.8
213.06564	2.2
213.10240	7.1
215.08220	4.1
215.11774	5.3
216.08960	1.9
218.08125	5.3
220.09749	2.0
223.08708	3.2
225.10266	3.3
226.08615	1.7
226.10832	2.0
227.08223	8.9
227.11821	2.8
229.09778	6.4
231.11269	3.1
232.18547	1.4
233.12804	1.9
236.09123	2.5
237.10219	3.5
239.08168	2.4
239.11841	3.2
241.09680	10.5
241.13390	2.4
242.10419	1.5
243.11302	6.7
244.12108	2.1
245.13075	1.9
246.07690	2.8
247.10783	1.4
248.09192	2.1
251.08156	2.3
252.08820	2.2
253.09724	5.5
254.10330	2.3
255.07776	1.8
255.11220	4.1
257.09222	2.1
257.12878	1.8
259.10834	18.4
259.13766	1.9
261.12415	4.8
264.08710	1.5
265.09662	5.5
266.10571	1.5
267.11298	9.7
269.09207	6.2
269.12784	5.1
271.10812	5.3
273.08679	2.3
273.12451	1.5
279.11322	2.0
281.09113	3.2
281.12717	2.7
283.10703	4.2
285.09183	2.4
285.12344	5.5
287.10303	23.1
287.13904	4.6
289.11874	13.0
289.15146	2.7
293.09219	2.1
295.10785	4.7
297.08899	2.8
297.12341	4.2
299.10306	3.6
301.11874	4.3
305.11465	2.6
307.10617	1.6
309.12344	2.7
311.10364	8.2
311.13550	1.6
313.11761	10.7
315.13373	2.8
316.14090	1.5
319.12933	13.1
321.14505	3.3
323.10071	2.1
325.11813	4.1
327.13446	4.9
339.09720	4.6
341.11337	4.3
342.16101	2.1
343.13034	3.2
345.14487	4.5
353.11276	3.1
357.10797	5.8
360.16898	3.1
361.15503	2.3
371.12384	7.5
373.13965	6.0
385.13922	5.7
386.14633	2.0
389.13467	4.6
390.14285	2.0
401.17389	1.9
408.15414	1.8
410.17175	2.3
414.18350	3.2
418.17856	1.9
432.19141	6.1
434.16745	1.6
436.14975	3.9
450.20624	2.4
460.18750	2.9
468.17529	5.6
478.19742	2.9
486.18909	8.4
492.21118	3.1
506.15369	2.0
510.22293	2.0
536.20551	3.2
552.19348	1.6
556.18945	3.5
583.25555	1.8
599.25134	8.5
601.26422	1.7
609.23639	7.9
617.26190	13.7
627.14496	2.2
627.24500	38.9
631.27704	7.3
641.25995	15.1
645.25647	51.1
646.26031	2.1
649.28979	11.7
659.27142	38.1
660.26367	2.3
663.26538	7.5
677.28198	100.0
678.28271	2.2
695.27094	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	695.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01589	1.3
55.01869	1.3
62.07634	1.2
67.05505	3.3
70.06600	3.1
71.54408	1.7
72.08155	2.3
72.60318	1.4
79.05495	4.2
84.08163	1.8
85.02953	1.8
86.09733	3.1
87.24766	1.3
91.05486	4.6
93.05765	1.9
93.07038	3.8
94.06570	10.0
95.04963	1.4
95.07363	2.7
96.04499	2.3
96.08146	6.7
97.06571	1.7
103.05463	2.4
105.07107	1.7
106.06555	3.5
107.07339	5.4
108.07442	1.9
108.08125	26.7
110.06054	2.2
110.09686	9.6
118.06538	1.2
119.24818	1.3
120.08118	35.6
121.08863	4.7
122.06052	17.7
122.09682	35.1
124.03975	1.4
124.07583	1.4
129.28227	1.5
131.07320	6.1
132.08131	3.5
134.06021	13.9
134.09659	2.7
136.07562	11.2
138.05499	3.8
138.09148	36.5
140.03380	2.1
140.10750	2.4
144.08034	1.6
145.08894	1.4
146.09674	10.6
148.03867	2.5
148.07620	4.0
150.05530	6.5
150.09145	4.4
152.07050	2.4
154.04944	2.8
158.09692	3.1
160.07607	3.8
161.08409	1.5
162.05516	67.4
162.09140	2.7
164.07089	7.4
164.10780	2.1
165.63681	1.5
166.08662	20.8
172.07614	2.3
174.09160	33.3
176.10669	1.8
178.08516	2.2
180.06651	2.3
180.10197	3.2
185.10788	1.8
187.08701	2.1
192.10236	16.6
197.10777	2.0
198.09341	1.7
199.08708	3.7
200.07149	1.4
201.06511	1.6
201.10231	3.8
202.08771	2.2
203.08173	1.6
203.11818	1.4
210.09164	1.5
210.11171	1.5
211.08559	2.8
213.06564	2.2
213.10240	7.1
215.08220	4.1
215.11774	5.3
216.08960	1.9
218.08125	5.3
220.09749	2.0
223.08708	3.2
225.10266	3.3
226.08615	1.7
226.10832	2.0
227.08223	8.9
227.11821	2.8
229.09778	6.4
231.11269	3.1
232.18547	1.4
233.12804	1.9
236.09123	2.5
237.10219	3.5
239.08168	2.4
239.11841	3.2
241.09680	10.5
241.13390	2.4
242.10419	1.5
243.11302	6.7
244.12108	2.1
245.13075	1.9
246.07690	2.8
247.10783	1.4
248.09192	2.1
251.08156	2.3
252.08820	2.2
253.09724	5.5
254.10330	2.3
255.07776	1.8
255.11220	4.1
257.09222	2.1
257.12878	1.8
259.10834	18.4
259.13766	1.9
261.12415	4.8
264.08710	1.5
265.09662	5.5
266.10571	1.5
267.11298	9.7
269.09207	6.2
269.12784	5.1
271.10812	5.3
273.08679	2.3
273.12451	1.5
279.11322	2.0
281.09113	3.2
281.12717	2.7
283.10703	4.2
285.09183	2.4
285.12344	5.5
287.10303	23.1
287.13904	4.6
289.11874	13.0
289.15146	2.7
293.09219	2.1
295.10785	4.7
297.08899	2.8
297.12341	4.2
299.10306	3.6
301.11874	4.3
305.11465	2.6
307.10617	1.6
309.12344	2.7
311.10364	8.2
311.13550	1.6
313.11761	10.7
315.13373	2.8
316.14090	1.5
319.12933	13.1
321.14505	3.3
323.10071	2.1
325.11813	4.1
327.13446	4.9
339.09720	4.6
341.11337	4.3
342.16101	2.1
343.13034	3.2
345.14487	4.5
353.11276	3.1
357.10797	5.8
360.16898	3.1
361.15503	2.3
371.12384	7.5
373.13965	6.0
385.13922	5.7
386.14633	2.0
389.13467	4.6
390.14285	2.0
401.17389	1.9
408.15414	1.8
410.17175	2.3
414.18350	3.2
418.17856	1.9
432.19141	6.1
434.16745	1.6
436.14975	3.9
450.20624	2.4
460.18750	2.9
468.17529	5.6
478.19742	2.9
486.18909	8.4
492.21118	3.1
506.15369	2.0
510.22293	2.0
536.20551	3.2
552.19348	1.6
556.18945	3.5
583.25555	1.8
599.25134	8.5
601.26422	1.7
609.23639	7.9
617.26190	13.7
627.14496	2.2
627.24500	38.9
631.27704	7.3
641.25995	15.1
645.25647	51.1
646.26031	2.1
649.28979	11.7
659.27142	38.1
660.26367	2.3
663.26538	7.5
677.28198	100.0
678.28271	2.2
695.27094	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	695.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
67.05502	0.4
67.54624	0.2
69.07026	0.4
70.06591	0.3
71.54461	0.3
95.04948	0.4
108.04485	3.1
120.04523	0.3
122.06007	0.8
122.53231	0.2
136.07576	1.1
138.05492	0.7
138.09109	0.3
140.07098	1.3
146.06017	1.8
146.78035	0.2
148.03905	0.2
148.07603	1.1
150.05501	0.6
150.06683	0.3
155.51793	0.2
162.06731	0.3
166.04980	0.6
168.06578	3.8
174.05510	0.9
196.11307	0.4
197.10722	0.4
198.07729	0.3
199.08647	1.3
201.10320	0.3
204.06564	0.5
206.08177	1.9
210.07793	0.3
211.08676	5.5
211.12280	0.9
212.09409	1.6
213.10233	2.0
221.10722	0.9
222.09169	1.4
222.11168	0.3
223.08563	1.1
223.12201	0.4
224.09102	0.5
224.10738	1.0
225.10211	5.0
226.07187	0.4
226.10960	1.0
227.08151	2.1
227.11667	0.5
237.10194	0.4
238.10966	0.5
239.08055	0.7
239.11798	8.4
240.08780	1.1
240.12587	0.6
241.09705	2.5
241.13370	1.3
242.10442	1.1
249.10197	0.8
250.08604	1.4
250.10861	0.3
251.08089	1.1
251.11926	0.5
252.08533	1.5
253.05949	0.2
253.06960	0.4
253.09727	5.5
254.10551	0.8
255.11420	1.0
256.11920	0.4
257.12857	0.9
267.11301	11.9
268.09488	0.4
268.12207	0.5
269.09396	0.5
269.12830	1.3
277.09720	0.4
278.08044	0.4
281.09238	0.7
283.10861	0.7
284.11606	0.5
285.09332	0.3
285.12415	1.5
287.13785	0.5
295.10776	6.3
297.12442	1.2
298.10706	0.6
301.12048	0.3
303.13129	0.3
305.15042	1.7
313.11829	38.8
314.12280	0.8
315.13565	0.5
323.10278	2.4
330.31516	0.2
341.11340	18.8
342.12079	1.9
343.12515	0.3
345.14572	0.3
355.12903	1.7
359.12323	2.2
373.13953	100.0
374.14487	1.8
375.15564	0.3
609.22913	0.3
627.24463	1.0
645.25476	2.1
659.27075	1.7
663.26245	0.9
677.17114	0.2
677.28052	1.3
695.28723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99349	0.8
53.03939	2.7
55.01862	1.8
55.05512	8.5
56.42369	1.0
57.03439	4.9
57.07069	4.4
61.02607	1.3
61.02928	23.5
62.55555	0.9
65.03938	2.5
67.05505	48.9
67.55016	0.8
69.03432	3.1
69.07069	9.6
70.29941	0.8
70.69067	2.4
70.69427	1.0
71.04994	2.3
71.08625	1.0
73.02916	8.4
75.04470	1.6
79.05492	34.5
81.03428	1.7
81.07057	58.2
83.08624	7.0
85.02911	26.0
85.06555	1.6
87.04448	0.9
87.65958	1.1
91.03954	25.0
91.05476	16.2
93.07047	43.0
95.04955	2.1
95.08611	44.7
97.02898	14.5
97.06567	2.1
97.10155	2.4
98.20870	1.1
99.04510	1.8
99.08086	1.4
103.03984	1.0
105.07027	13.8
107.08603	28.2
109.10161	29.4
111.08077	1.5
113.09645	1.4
115.03917	1.4
117.07024	6.6
119.08589	12.3
121.10148	28.8
121.11038	1.6
123.08059	1.4
123.11700	15.6
125.09645	2.0
127.03931	11.7
131.08585	18.0
133.10132	13.8
135.11707	24.3
135.12724	1.6
137.09647	2.7
137.13239	5.2
145.04959	14.1
145.10117	13.8
147.11711	10.8
149.13257	17.4
151.11221	1.2
151.14784	1.7
153.12788	1.9
159.11690	11.6
161.13268	9.7
163.06018	25.7
163.11072	1.1
163.14809	13.3
165.12778	2.0
173.13266	14.1
175.14853	2.8
177.12770	1.3
177.16374	7.9
179.14313	2.7
187.14774	7.1
191.14311	2.1
201.16422	2.7
205.15771	1.9
215.17941	1.3
233.22667	2.3
243.21098	36.3
261.22144	100.0
262.22433	2.0
263.23544	2.2
279.23178	2.8
297.20679	1.0
335.25848	18.7
353.26871	62.1
354.27124	1.4
497.30850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01882	1.3
55.05510	2.0
56.96578	0.9
57.03441	2.0
59.34889	0.6
61.02934	4.5
65.03152	0.6
67.05501	3.4
69.03442	2.6
69.07079	1.9
69.32186	4.8
71.05008	1.5
73.02930	2.9
79.05498	4.5
81.03425	3.7
81.07061	4.9
83.01342	0.7
83.05002	2.7
83.08638	2.4
85.02915	5.1
88.46768	0.8
91.03961	3.4
91.05502	3.3
92.05851	1.2
93.07067	5.8
95.04992	2.1
95.08619	3.9
97.02905	4.6
97.06567	2.7
98.21590	1.1
98.97622	0.7
99.04457	1.2
101.02407	1.7
105.07050	2.6
107.04966	1.5
107.08604	3.2
109.02908	0.7
109.06516	0.7
109.10168	1.7
110.97522	0.7
111.04472	0.9
117.07053	1.3
119.08626	2.8
121.06551	1.2
121.10184	2.1
123.08100	1.3
127.03970	1.3
129.07033	0.8
131.08633	1.2
133.10172	1.7
134.10545	0.7
135.11659	3.8
145.10115	3.0
147.08147	0.7
147.11707	1.0
163.11198	6.9
172.08630	0.7
181.12350	1.3
184.07489	1.0
202.58186	0.6
209.11818	1.0
227.12909	2.9
243.08582	2.2
249.11008	7.2
255.16144	0.8
267.16138	0.9
275.20297	1.0
285.10422	0.7
305.13742	2.0
349.23764	3.2
350.24313	2.5
351.24716	2.4
365.15598	3.9
411.10870	0.7
420.22818	0.7
447.27908	1.9
467.18927	18.3
467.25406	1.0
514.17242	0.8
527.17847	0.8
603.23383	1.8
693.31085	100.0
694.31403	2.7
715.27502	0.7
716.43781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27864	1.8
66.61258	1.8
67.05507	8.3
69.03440	2.3
69.87691	6.1
69.88097	4.4
70.06595	4.3
70.42533	1.8
79.05508	3.7
80.05034	2.8
84.08155	3.4
85.02922	5.3
86.09723	2.4
91.05502	7.1
93.07036	9.5
94.06579	13.6
95.04976	2.1
95.07317	3.1
96.08127	10.6
97.02908	2.0
103.05450	4.2
106.06578	5.9
107.07327	3.2
108.04482	3.4
108.08122	29.7
110.09675	22.1
120.08108	70.9
121.08900	8.4
122.06039	41.6
122.09679	29.6
131.07332	8.7
132.08118	4.6
134.05965	2.5
134.09674	8.2
136.07579	17.0
138.09148	100.0
144.08087	3.6
146.09642	12.9
148.07658	2.7
150.05519	12.5
152.10709	4.0
158.06024	20.7
160.07640	5.8
160.11200	2.2
162.05516	7.1
162.09125	3.1
164.07101	5.0
166.08727	8.5
168.08221	2.6
172.07513	3.2
173.08463	2.4
174.09163	50.4
177.05560	2.8
178.08659	2.7
180.10306	5.7
182.08174	2.7
182.09767	2.5
186.09120	3.9
188.07053	3.1
190.08632	6.1
192.10255	14.3
200.07222	2.5
204.06554	3.7
204.10199	4.7
206.08289	3.3
211.08730	4.3
211.13411	3.4
213.10393	4.8
214.08629	3.5
218.08133	44.7
220.09824	2.1
225.10205	5.0
226.08783	2.7
226.10980	2.5
228.06703	3.0
232.09975	2.9
236.09167	12.7
237.10080	2.5
239.11896	8.5
243.07555	3.0
243.11266	2.3
246.07777	10.2
246.15005	3.3
250.10768	79.4
253.09796	4.4
255.11282	2.4
257.09360	2.5
259.10822	3.8
263.07861	10.1
265.09824	5.7
266.08221	2.8
267.08127	2.3
267.11353	8.2
268.09763	3.0
269.09299	4.2
269.12946	3.9
271.10910	4.9
275.10519	4.2
279.07974	2.9
283.10889	3.1
285.08807	8.5
285.12405	3.3
287.10687	2.5
287.14041	6.0
289.11771	10.8
293.05978	3.5
293.09317	5.9
295.07269	6.7
295.10559	4.6
300.12454	2.0
301.11374	2.1
303.05011	24.6
303.13443	2.1
311.10425	4.7
313.11746	17.5
315.13458	3.2
317.11514	4.3
321.08762	7.7
322.07001	2.5
323.10208	4.6
327.09692	3.2
327.15149	2.4
339.09918	15.1
340.08115	3.5
341.11258	12.3
342.13690	3.1
343.09506	2.6
343.14194	3.6
355.09299	2.6
357.10730	10.1
359.17749	4.2
365.14948	3.1
369.16110	3.0
370.11844	8.6
371.12399	12.5
373.13971	50.5
374.15204	2.1
387.12180	8.0
387.16995	3.9
388.17484	2.9
389.13855	4.1
405.18286	4.4
415.16693	6.4
416.16473	4.2
432.17484	3.8
433.17828	9.1
448.18655	2.6
458.17319	4.8
459.16580	2.4
460.19016	2.5
465.20303	4.1
476.18076	13.9
477.19159	5.1
478.19806	2.8
490.20313	3.5
494.19342	15.5
508.20901	27.5
509.20972	3.8
526.21851	57.8
527.22095	2.4
536.21069	3.8
552.20209	3.5
553.20929	6.6
568.23315	2.4
599.24774	3.8
613.26605	2.8
625.22552	9.9
631.27258	2.6
643.24182	25.5
649.28656	3.3
657.25806	15.8
661.24811	12.3
675.26654	89.6
676.26617	2.9
693.27698	90.5
694.28369	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	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01850	2.9
55.05514	16.9
55.05771	0.5
57.03441	15.6
59.05012	0.7
61.02930	3.7
64.66514	0.6
65.03934	1.9
67.05506	27.8
69.03426	5.4
69.07067	8.9
71.01359	0.8
71.04997	5.2
73.02885	1.2
75.44862	0.7
79.05025	0.8
79.05498	28.8
81.03421	81.1
81.07060	32.2
83.04506	1.2
83.04984	21.1
83.08621	28.4
83.09117	1.4
85.02908	34.8
85.06523	2.8
91.03940	1.6
91.05483	40.7
93.07048	19.6
94.73748	0.8
95.04972	31.8
95.08606	10.9
97.02882	6.5
97.06549	4.6
97.10178	4.7
98.21512	1.7
99.08076	1.5
105.07036	26.7
107.04967	9.4
107.08608	8.2
109.06532	6.5
109.10135	3.0
111.04408	3.2
111.07375	1.0
111.08096	13.4
113.05986	2.7
115.05421	2.9
116.06184	0.7
117.06974	1.7
119.04979	0.7
119.08589	24.4
119.11652	0.7
121.06487	2.8
121.10158	11.1
123.08097	3.3
123.11706	1.7
125.09614	1.5
127.03934	0.8
127.07522	1.0
129.07011	14.4
131.08574	15.2
133.06454	2.9
133.10149	13.1
137.09595	2.2
142.07797	4.1
145.10103	3.0
147.08070	4.0
147.11691	20.1
149.09636	8.6
151.11201	0.9
157.10146	20.6
163.11185	1.2
165.12730	3.8
175.11186	19.7
184.07486	1.5
193.12245	60.8
194.12527	0.9
211.13293	98.7
249.14822	0.9
259.86630	0.7
267.12988	1.5
267.15930	42.0
285.16977	100.0
286.17310	0.9
296.27243	0.8
349.21591	0.8
367.22775	3.6
385.23648	3.0
403.24829	1.3
433.26025	1.7
441.26297	1.5
459.27457	27.1
477.28488	31.5
478.29562	0.9
495.29541	83.9
496.29495	1.1
557.41803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
54.21593	0.5
55.01865	0.8
55.05508	2.0
57.03428	1.8
61.02929	5.5
67.05502	7.8
69.03442	3.8
69.07063	1.7
70.06599	2.0
73.02915	3.6
79.05507	2.7
81.03403	2.5
81.07059	4.7
83.05001	1.3
83.08646	0.6
85.02916	4.9
86.09726	0.9
87.04494	0.5
88.76144	0.4
91.03946	3.7
91.05484	1.7
93.07039	3.8
95.05002	0.9
95.08615	3.4
97.02877	4.8
97.64117	0.4
98.98451	0.7
99.04473	0.8
101.02399	1.8
105.07030	1.5
106.16547	0.6
107.08617	2.0
109.02906	1.3
109.10163	4.7
111.04454	0.6
117.07014	1.2
119.08598	1.4
121.10164	1.4
121.27028	0.4
124.73013	0.5
125.00030	0.7
127.03947	1.7
133.10114	1.1
135.11694	0.9
145.10104	0.7
147.11632	0.5
147.38605	0.5
159.11702	0.8
173.11794	1.3
184.07365	3.3
185.04167	0.7
185.07576	1.0
186.07831	0.8
195.09875	1.2
203.05220	0.6
209.11841	0.9
229.14388	0.5
239.07411	0.5
243.08455	1.3
248.09502	0.5
413.17874	5.5
519.29388	6.5
519.36475	0.8
583.03009	0.5
640.07086	0.5
691.40247	100.0
692.40472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01880	6.7
55.05514	5.4
56.96553	1.1
57.03429	2.8
61.02916	1.9
65.03930	1.2
67.05183	1.1
67.05511	14.0
69.03434	1.6
69.07070	11.2
69.31889	7.5
71.04994	1.7
73.02913	1.2
79.05495	11.8
81.03410	7.3
81.07055	16.7
83.04987	4.4
83.08598	2.4
85.02904	4.2
91.05484	14.5
93.07047	13.5
95.01336	2.8
95.04984	4.4
95.08621	9.8
97.02907	2.4
97.06525	14.1
97.10182	1.0
105.07037	21.0
105.17850	0.8
107.04955	6.7
107.08604	6.9
109.02881	1.0
109.06504	1.9
109.10149	2.9
111.04433	1.0
111.08074	0.9
117.07018	5.1
119.08591	9.8
121.06489	1.4
121.10138	3.3
123.04479	1.5
123.08062	2.1
123.11737	0.9
129.06964	1.5
130.09956	0.9
131.08553	7.8
133.10150	12.1
135.07977	1.5
135.11719	4.6
137.09624	2.0
141.07001	1.4
143.08588	1.5
145.06444	1.0
145.10159	4.4
147.11662	5.3
149.09683	2.8
149.13274	2.5
151.11218	1.2
159.11674	4.9
161.13216	1.3
163.03934	1.6
163.11205	1.8
165.09035	1.2
169.10088	1.9
173.13397	1.1
177.05492	1.2
177.12775	1.8
179.14342	5.0
185.28871	1.0
187.11215	1.3
193.05002	1.0
215.07133	1.4
229.07339	0.9
229.14497	1.0
247.20517	1.1
257.19040	2.2
259.09644	3.5
275.20078	20.6
275.22827	1.6
293.21307	1.5
314.01575	1.0
349.23737	100.0
350.24414	2.0
406.33551	0.8
415.13837	1.8
429.15390	1.3
430.16663	1.9
443.17316	1.9
457.18988	2.1
458.19351	1.6
484.13858	3.8
485.14203	1.2
486.11169	0.9
493.28033	2.3
494.28326	2.4
498.15411	2.7
499.16248	2.4
511.16046	1.9
511.29202	3.9
512.16882	3.5
513.17651	5.4
514.18311	1.5
523.16193	1.6
525.17731	2.8
527.19122	3.0
555.22827	0.9
599.21252	1.1
600.22229	3.0
601.22839	5.7
617.22998	1.5
691.26056	75.5
692.26373	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	691.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
54.81671	0.2
55.01872	0.4
55.05495	0.4
57.03427	0.3
60.70938	0.2
65.03934	0.7
67.05515	1.6
69.07043	0.5
69.35233	0.5
69.35654	1.6
71.04980	0.3
73.02906	0.3
79.05492	1.6
80.05025	0.3
81.03403	0.7
81.07063	1.3
83.04982	0.2
85.02917	1.3
89.03884	0.4
91.05489	1.6
93.05789	0.6
93.07020	0.9
94.06566	2.1
95.04970	0.6
95.08603	0.4
96.08112	0.8
97.02897	0.8
97.06523	0.6
98.20759	0.3
105.07036	0.5
106.06558	1.3
107.08584	0.7
108.07431	0.5
108.08118	5.3
109.06509	0.6
116.04980	1.0
118.06523	0.5
119.07344	0.4
120.08080	0.5
121.10162	0.3
122.06039	9.9
123.06886	0.4
124.07597	8.8
124.34814	0.3
126.05538	0.6
127.03874	0.4
133.06395	0.3
134.06017	4.5
135.06792	1.0
136.07585	26.3
137.08369	4.8
138.05496	2.2
138.09146	1.9
140.07043	1.4
144.04451	2.3
145.10071	0.3
146.05995	1.1
150.05513	5.2
150.09117	2.1
152.07069	1.5
160.03944	0.4
162.05515	16.6
164.07069	5.2
168.06543	0.4
172.03938	12.2
174.05508	0.7
178.08615	1.7
180.06609	0.8
180.08821	0.3
180.10239	1.7
182.08141	0.3
184.09697	4.8
190.04996	3.3
196.09697	100.0
197.10045	0.8
204.06570	24.7
205.11244	0.3
210.07590	0.4
221.10835	0.3
222.07681	0.4
235.08577	0.3
237.10167	0.5
241.09843	0.3
249.10249	0.4
251.11816	0.6
252.08928	0.3
253.09653	0.4
257.12888	0.9
264.08862	0.4
265.09805	0.5
267.11331	0.6
269.09271	0.3
269.12860	0.8
275.20041	1.1
277.09656	0.3
279.11249	1.8
281.09311	0.4
285.12222	0.7
287.13889	0.7
293.14825	0.3
295.10767	0.9
296.11627	0.3
297.12341	11.1
299.13898	0.9
301.11719	0.3
303.13385	0.5
305.09030	0.4
311.13992	0.9
313.11954	0.7
315.13400	0.6
317.14728	0.3
323.10248	4.8
327.13824	0.3
329.11316	0.4
329.14987	4.7
337.11661	0.3
339.13394	5.9
341.11429	0.4
343.12842	0.9
349.23651	1.0
355.12909	4.2
367.13153	0.4
367.24725	0.5
371.16110	2.6
375.15515	0.5
387.15237	0.4
391.15067	0.6
399.15463	0.7
446.17032	3.9
458.17529	0.6
464.18076	4.6
476.18188	4.4
478.19699	3.5
480.21671	1.6
480.27505	0.4
490.19577	0.8
492.21240	0.5
496.20676	1.0
504.21408	0.4
506.19128	0.4
508.20782	1.2
511.28949	0.3
522.22406	4.6
527.49469	0.3
554.24719	0.9
609.23242	0.5
627.24554	0.6
641.26154	1.6
659.27142	12.8
660.27448	0.7
691.29999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
55.01878	0.2
57.03455	0.3
61.02929	0.3
65.03954	0.4
67.05513	1.3
69.03432	0.4
69.07085	0.2
69.24564	0.4
69.24965	1.1
70.06599	0.2
71.04987	0.2
73.02905	0.2
77.03900	0.2
77.81483	0.2
79.05498	1.5
80.05022	0.3
81.03419	0.7
81.07046	0.8
82.06569	0.2
83.08640	0.2
85.02921	0.5
86.09705	0.2
89.03890	0.3
91.03990	0.2
91.05489	1.9
93.05791	0.4
93.07038	0.8
94.06575	2.3
95.04952	0.4
95.08646	0.3
96.04479	0.2
96.08134	0.8
97.02888	0.4
98.21531	0.4
98.34558	0.2
105.07035	0.3
106.06552	0.8
107.07304	0.2
107.08617	0.3
108.04430	0.2
108.08120	5.8
109.02937	0.3
109.06481	0.2
109.10148	0.2
110.06078	0.2
110.09698	0.3
116.04985	1.0
117.05721	0.2
117.07034	0.2
118.06546	0.4
119.07356	0.2
119.08588	0.3
120.08116	0.8
120.88216	0.2
121.05241	0.2
122.06033	10.7
122.09587	0.2
123.06808	0.5
124.07592	9.8
126.05499	0.5
129.07072	0.2
131.08572	0.2
133.10086	0.4
134.06026	4.4
135.06792	1.0
136.07582	29.4
137.08374	4.8
138.05525	2.0
138.09137	1.9
140.07066	1.7
144.04456	1.9
145.05061	0.3
145.10027	0.2
146.06036	1.3
147.11656	0.2
148.07568	0.3
150.04317	0.3
150.05515	5.4
150.09122	2.1
152.07053	1.2
153.22157	0.2
154.04994	0.5
157.58653	0.2
159.11633	0.2
160.03973	0.6
160.07509	0.2
162.05508	16.2
163.11253	0.2
164.07059	5.2
166.04913	0.2
166.08618	0.7
168.06569	0.3
172.03940	14.0
174.05482	0.6
176.07103	0.3
178.08624	2.0
180.06598	0.8
180.10197	1.3
184.09709	5.0
190.04996	3.9
192.06606	0.2
196.09694	100.0
197.10066	1.0
202.08658	0.3
204.06564	25.5
205.06854	0.3
206.08112	0.3
210.07678	0.2
211.12331	0.2
222.07722	0.4
223.12233	0.2
225.10355	0.2
227.08127	0.2
227.11667	0.3
229.12262	0.4
233.12798	0.3
236.09364	0.4
237.10220	0.4
239.08141	0.3
239.11670	0.3
241.09642	0.3
243.11336	0.3
244.51906	0.2
249.10303	0.3
250.07642	0.2
251.08217	0.2
251.11781	0.6
252.08931	0.4
253.09747	0.5
253.13486	0.2
255.11147	0.3
257.12784	0.6
263.08282	0.2
264.08942	0.4
265.09619	0.3
267.08282	0.2
267.11292	0.8
269.09131	0.2
269.12839	0.8
271.14404	0.2
275.19998	0.6
279.11343	2.1
281.09161	0.6
285.12280	0.7
287.13995	0.8
295.10706	0.7
296.11569	0.4
297.12338	11.0
298.12906	0.2
299.10675	0.2
299.13861	1.0
301.11829	0.5
303.13348	0.6
305.09305	0.4
307.10681	0.2
309.12286	0.2
311.13855	0.9
313.11807	0.7
315.13333	0.7
317.14871	0.4
323.06625	0.3
323.10254	5.1
327.13260	0.6
329.14957	4.2
339.09540	0.4
339.13403	4.9
341.11185	0.5
343.12698	0.7
349.23639	0.8
355.12875	4.7
357.14359	0.5
367.12674	0.3
367.24854	0.3
371.11890	0.2
371.16095	3.3
373.13931	0.2
387.15192	0.4
391.14993	0.5
399.15182	0.4
406.17676	0.2
446.17017	3.8
448.18756	0.2
458.16800	0.8
464.18195	4.9
465.18558	0.2
473.26050	0.2
476.11841	0.2
476.18204	4.5
478.19724	3.3
480.21732	1.5
490.19431	0.7
492.21564	0.3
493.28049	0.3
496.20782	1.3
499.87634	0.2
500.23633	0.2
504.21292	0.2
506.18890	0.2
508.20914	1.2
512.23651	0.5
522.15192	0.2
522.22375	4.5
554.25262	1.0
609.22522	0.5
627.24042	0.7
641.25958	2.0
659.27130	12.0
660.27094	0.5
673.26709	0.6
691.29620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.04692	1.2
55.01878	1.9
56.05034	1.5
57.11477	1.4
64.91828	1.3
65.03928	2.4
67.05516	11.2
69.03432	6.3
69.07063	2.0
69.37343	2.2
69.37748	7.4
70.06575	4.9
71.04981	4.2
79.05497	8.4
80.05016	2.2
81.03426	7.0
81.07059	6.5
82.03733	1.8
82.06583	2.0
83.04956	3.2
84.08149	53.0
85.02905	8.8
86.03225	1.4
86.09703	2.6
87.00813	5.5
90.22742	1.3
91.05491	6.8
93.03401	2.4
93.05791	1.7
93.07035	6.8
94.06570	20.8
95.04967	6.2
95.08614	2.7
96.04487	3.5
96.08173	6.7
97.02901	6.7
97.06513	3.1
98.06032	3.0
99.04475	1.5
105.01871	4.4
105.07014	5.0
106.06550	1.3
106.07400	1.8
107.07339	2.3
107.08583	4.9
108.04485	1.9
108.08129	28.4
108.08891	2.5
109.02869	4.2
109.06524	9.9
109.10165	3.3
110.09681	10.4
116.05021	1.5
119.08576	2.9
120.04427	3.9
120.08108	12.2
122.06033	65.5
122.09647	7.3
123.08027	1.8
124.07624	7.4
126.05519	4.0
127.03922	5.9
129.05478	1.4
129.07053	2.1
129.10190	1.7
130.08649	5.2
131.08578	5.9
132.08081	1.6
133.06502	1.9
133.10165	2.3
134.05983	4.8
134.09645	3.4
135.08037	4.6
136.03944	1.9
136.07562	11.8
136.08418	2.4
138.05527	2.7
138.09151	40.3
144.04427	3.0
144.08145	2.0
145.04964	2.0
145.10100	1.6
146.06010	8.7
148.07550	3.8
149.05933	1.7
150.05511	56.5
150.09187	7.2
151.07539	13.5
152.06955	12.6
152.08102	2.6
157.57370	1.5
158.09639	1.7
159.02922	3.0
159.11679	1.7
160.07562	3.3
161.09601	3.0
162.05525	5.3
162.09064	3.1
162.41905	1.3
163.03864	1.8
164.03481	7.0
164.07063	20.9
164.10725	2.2
166.08623	9.3
168.06532	2.3
172.03928	15.1
172.07582	2.2
174.05499	2.4
174.09303	1.6
176.07077	4.4
176.10811	4.0
178.08539	3.0
180.10207	17.4
182.08151	6.1
190.05042	9.1
194.08170	3.2
196.09738	6.5
197.10756	1.7
198.11594	1.4
199.08760	1.7
204.04788	1.4
204.06596	26.4
206.08153	2.5
207.06505	3.2
208.09802	1.8
209.04462	1.6
209.10753	1.9
210.11531	2.3
211.08702	2.1
212.09341	2.2
213.10094	2.5
222.07741	1.4
223.08710	3.0
223.12250	3.8
224.09367	2.5
225.10254	7.5
227.08078	2.0
227.11842	4.2
228.10947	3.0
229.09969	1.6
231.04958	1.8
233.10797	2.2
233.12836	9.1
235.08681	2.8
236.09444	4.2
237.10228	13.6
238.10918	3.4
239.08113	2.5
239.11868	6.7
240.12531	1.7
241.09727	2.3
241.13338	2.2
243.11250	3.9
245.11578	7.9
246.12141	9.8
248.09277	4.8
249.10283	15.4
250.10968	5.9
251.08186	3.3
251.11839	14.3
252.08932	2.3
252.12473	3.2
253.09666	8.3
253.13374	2.8
254.10463	2.6
255.11232	3.6
257.12851	3.2
259.14392	2.0
261.10184	9.8
262.10861	3.7
263.08197	2.8
263.11835	11.4
264.09027	4.0
264.12515	1.9
265.09753	23.9
265.13013	2.7
266.10486	5.3
267.11304	11.7
268.11972	2.5
269.09213	4.0
269.12897	9.0
271.10861	7.4
271.13431	1.4
275.08026	2.5
276.08792	3.0
277.09720	7.2
278.10510	8.6
279.07980	3.2
279.11273	34.9
280.12018	5.8
281.09232	4.4
281.12766	4.1
282.09912	2.1
283.10822	7.9
283.13696	1.5
285.08707	3.2
285.12207	2.6
286.09531	2.1
286.13226	1.6
287.10599	2.1
287.13898	25.4
289.09494	16.0
289.12424	1.4
291.11258	9.1
293.09189	14.4
293.12817	8.9
294.09970	6.8
294.13388	2.2
295.10834	7.3
295.14047	2.2
296.11646	4.1
297.08997	2.1
297.12262	15.4
299.10474	3.4
299.13885	2.0
300.11182	1.8
301.11853	10.5
301.15091	2.1
303.04816	1.6
303.13562	2.4
305.09216	2.0
305.14966	3.2
306.09814	2.8
307.10812	9.3
308.11490	4.4
309.12296	11.1
311.10254	7.2
311.13895	3.9
312.11182	3.1
313.11792	4.3
314.12683	3.8
315.13373	2.3
319.13083	8.6
321.12314	3.4
321.80179	1.4
323.10220	9.1
323.13892	4.8
324.11084	3.8
325.11719	9.8
326.12823	2.9
327.13440	11.3
328.14249	1.9
332.13947	1.6
335.10205	28.8
335.14157	1.6
336.10791	2.0
337.11902	5.4
339.13400	89.3
340.10461	2.3
340.14206	2.5
341.11130	7.1
341.14966	3.5
342.15775	1.9
349.11887	2.8
352.10544	1.7
353.11337	11.6
354.12341	3.1
354.16162	1.7
355.12915	23.0
356.13770	3.1
357.14529	5.3
359.12564	1.8
367.12900	65.0
368.13687	4.2
369.14398	3.5
370.15750	1.9
371.16174	2.4
372.13391	3.5
373.14029	7.8
374.14926	2.1
385.14069	7.6
386.14758	2.7
387.15717	8.1
388.16745	2.8
398.14951	3.5
399.15735	10.0
400.12515	2.4
400.16916	1.6
401.13550	2.0
407.32632	2.5
412.16718	2.6
414.13998	1.9
416.15805	1.7
425.33722	23.5
428.16226	2.3
430.17859	1.8
432.15503	6.2
440.15613	1.8
442.13379	2.4
442.18298	2.3
443.09802	3.8
443.34875	2.4
444.14948	1.8
448.15002	2.8
456.15594	5.3
458.16794	3.4
460.13617	10.6
460.19370	6.1
464.21988	2.8
468.15717	1.6
478.19583	3.9
480.17291	1.9
484.14587	3.1
486.16290	5.8
487.16992	3.6
490.19388	1.7
492.21512	59.7
502.19690	2.4
504.17648	30.1
510.22833	1.5
518.19025	8.2
520.20630	1.7
522.18835	1.9
524.23889	20.1
534.22241	13.2
536.20050	4.0
562.21381	7.3
565.23999	2.8
566.24341	3.0
567.22162	5.7
585.23358	3.6
591.22119	1.7
594.24237	3.2
599.24152	2.2
609.23456	56.2
610.23206	1.8
627.24493	100.0
628.24908	3.5
631.26904	2.4
641.26123	40.0
659.27222	34.0
673.27356	5.1
673.39136	3.1
691.30566	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	690.37
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60298	0.4
53.03917	0.8
55.01832	1.1
55.05514	2.0
57.03444	2.0
61.02887	1.3
62.06062	0.9
63.74123	0.4
67.05513	3.3
69.03435	6.4
69.07064	2.6
70.06561	1.2
70.58036	0.6
70.58372	0.9
71.04952	1.8
71.08634	7.1
72.08163	2.3
73.02900	0.9
75.82050	0.5
79.05509	3.6
81.03429	6.5
81.07062	7.2
82.59606	0.4
83.04950	1.5
83.08577	1.4
84.04471	0.5
84.08112	1.8
85.02911	7.5
85.06504	0.9
86.06075	21.4
86.09662	0.7
87.00826	2.2
91.05491	5.2
93.07034	2.9
94.06550	0.4
95.04956	2.3
95.08620	2.9
96.08150	5.2
97.02388	0.4
97.02885	3.9
97.06539	3.2
98.06050	1.5
98.06834	0.4
98.09698	7.4
99.04453	2.5
99.08100	5.8
100.07632	0.5
103.03933	0.6
105.01846	0.7
105.07020	2.8
107.04904	1.0
107.08589	2.9
108.08122	2.9
109.02249	0.4
109.02888	4.9
109.06518	2.2
109.10136	1.2
110.09637	0.7
111.04448	0.4
111.08072	0.6
111.45791	0.4
112.07497	0.5
113.05972	0.8
113.08367	0.5
116.10739	51.3
119.07800	0.5
119.08578	4.3
121.10099	1.6
122.09631	1.8
123.08046	0.7
123.11666	1.4
124.07561	1.5
126.09128	0.9
127.03923	9.2
129.01877	0.9
129.06956	1.5
131.08537	1.4
133.10146	3.2
134.09618	0.6
135.08032	0.6
135.11668	1.0
136.11206	1.1
138.09099	0.5
140.10672	1.5
142.07849	0.5
142.08669	3.3
142.12253	0.8
143.10666	3.6
145.04951	1.0
145.10141	1.0
147.11700	8.8
149.09624	1.0
154.12198	0.6
154.15912	3.5
157.10146	3.9
159.02861	0.9
163.11154	1.7
165.12766	1.5
166.15961	2.2
175.11195	5.3
178.15901	1.8
181.12199	0.7
184.07388	0.6
187.06021	0.9
193.12262	4.8
193.40215	0.4
196.16997	7.2
211.13316	2.1
213.03902	0.7
214.18033	100.0
215.18364	1.3
225.11311	0.5
227.12808	2.4
229.14305	2.6
231.05032	1.0
254.17473	0.9
255.15967	1.4
283.15442	2.9
285.13922	0.5
285.17023	1.5
290.21207	0.8
308.22278	4.0
326.23291	14.9
344.24338	25.7
347.13391	1.2
353.16049	0.4
405.36902	0.5
406.29544	0.9
418.24509	1.7
424.30606	9.1
442.31680	15.6
442.37640	0.9
462.23380	37.3
463.24039	0.7
464.50732	0.4
475.27240	0.6
493.27924	2.9
506.29822	0.6
548.30811	2.0
574.28644	4.2
592.29688	23.4
604.37378	0.7
646.38129	1.3
672.35846	2.0
690.37158	15.6
691.37115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01873	2.2
55.05513	6.8
55.27015	0.8
56.05025	0.9
56.96558	1.1
57.03441	3.8
61.02918	2.5
62.06101	0.8
65.03938	0.8
67.05504	9.2
69.03433	11.4
69.07069	4.7
70.06581	2.0
70.12104	3.1
71.04980	3.1
71.08636	8.8
72.08149	4.0
72.78229	0.6
73.02913	2.4
79.05488	7.5
81.03423	15.9
81.07061	18.2
82.06592	0.8
83.01326	1.1
83.04988	4.0
83.08627	4.0
84.08144	2.9
85.02910	11.5
85.06541	1.2
86.06072	38.5
86.09686	1.1
86.37411	0.7
87.00819	2.7
91.05476	8.7
93.07049	6.4
94.58910	0.7
95.04981	5.4
95.08620	6.7
96.08149	4.9
97.02895	7.8
97.06509	4.2
97.10176	1.4
98.06069	1.4
98.09696	13.3
99.04457	4.0
99.08086	8.0
103.03936	1.3
105.01881	1.9
105.07035	8.2
107.04928	1.7
107.08598	4.2
108.08136	5.2
109.02892	8.8
109.06523	3.0
109.10195	1.7
109.66496	0.8
111.08078	1.7
113.05994	1.0
114.09162	1.2
115.03864	0.9
116.10736	92.4
117.07044	1.7
119.08588	7.3
121.06519	0.9
121.10176	3.7
122.09666	3.3
123.08074	1.7
123.11721	2.7
124.07590	2.5
125.09702	1.0
126.09202	1.3
127.03928	15.5
129.01819	1.5
129.06996	2.8
131.08549	1.5
133.10141	3.4
135.08078	0.8
135.11699	2.3
136.11217	1.8
138.09177	1.0
140.10710	2.0
142.08681	3.0
142.12268	1.9
143.10663	3.7
145.04987	2.1
145.10110	1.8
147.02968	1.0
147.08063	1.1
147.11687	9.2
149.09641	1.3
154.15947	2.6
157.10143	4.8
159.02876	1.4
161.05945	0.6
163.11191	3.1
165.12772	4.2
166.15927	1.3
173.12813	0.6
175.11191	5.0
178.15956	1.1
184.07436	0.9
185.98596	0.7
187.06033	1.6
193.12245	4.5
196.17021	4.9
211.13309	2.6
213.03961	0.8
213.15144	0.9
214.18027	68.4
215.18413	1.3
224.20367	1.1
225.11298	0.8
227.12801	2.1
229.14218	3.4
231.05057	1.6
236.16582	0.7
237.14824	1.3
248.20084	1.0
255.15956	1.5
264.23340	1.3
266.21161	2.2
267.15863	4.0
282.24310	8.4
283.15289	5.9
284.22244	5.3
285.13821	0.9
285.17007	3.0
290.21213	1.1
294.20813	0.8
308.22128	8.3
326.23297	9.7
329.12296	1.4
344.24329	100.0
345.24881	1.3
347.13559	2.2
376.23779	1.1
383.21988	1.0
414.18137	1.1
418.24808	1.0
424.30597	5.1
442.31650	34.4
457.25919	1.8
459.52917	0.8
462.23367	20.2
475.26910	8.4
493.28009	11.2
506.29794	2.3
527.19019	0.9
530.29828	1.6
548.30707	5.1
574.28668	2.6
586.29132	3.3
592.29706	64.8
593.30347	1.5
604.36798	1.6
646.37915	3.4
672.35394	1.0
690.24963	1.6
690.36945	27.0
691.26355	0.9
691.37146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
51.71166	1.0
53.03932	3.1
53.24157	0.8
55.01875	4.2
55.05272	1.4
55.05514	13.7
57.03442	9.8
61.02909	2.7
65.03922	1.6
65.32011	0.9
67.05185	1.5
67.05510	22.3
68.05840	0.9
69.03435	7.3
69.07066	10.3
70.18552	2.9
71.05007	4.4
71.08624	3.5
72.08144	1.9
73.02907	2.8
79.05075	1.7
79.05499	27.7
81.03420	38.6
81.07063	30.0
83.01339	1.0
83.04987	11.4
83.08157	1.2
83.08626	18.3
84.08139	1.5
85.02435	1.3
85.02911	18.2
85.06550	2.4
86.06071	18.3
86.09698	1.5
87.00831	1.5
91.05486	24.6
93.07047	30.1
95.04973	19.7
95.08614	28.1
96.08120	3.5
97.02895	8.5
97.06519	5.2
97.10176	3.4
98.09715	6.1
99.04467	4.7
99.08100	4.6
103.05473	1.6
105.07034	18.3
107.04964	9.3
107.08600	22.5
108.08138	1.4
109.02878	4.4
109.06535	5.2
109.10147	4.3
110.09696	1.0
111.04444	3.3
111.08067	5.5
113.06034	2.1
114.09200	0.9
115.05460	1.4
116.06218	0.8
116.10741	37.3
117.07059	6.0
119.07806	1.5
119.08589	18.6
120.12617	0.9
121.06543	4.9
121.10152	14.2
122.09671	2.2
123.08067	2.5
123.11712	2.2
125.06007	2.1
125.09615	1.2
127.03900	7.0
127.07550	1.5
129.05544	0.9
129.07027	7.0
130.07805	0.9
131.08586	7.0
133.06441	1.4
133.10143	9.9
135.08063	1.6
135.11693	32.8
137.09702	1.7
139.07512	1.4
142.07735	1.1
142.08693	1.5
143.08455	1.0
143.10683	3.0
145.10133	22.6
147.08051	2.2
147.11684	16.2
149.09599	4.0
153.12799	1.1
154.15822	1.3
157.10127	10.3
159.11676	1.0
163.03963	1.0
163.11185	45.9
164.11565	1.0
165.12744	3.5
166.15898	1.4
173.09605	1.4
175.09787	1.2
175.11208	12.6
181.12244	8.8
184.07341	2.9
193.12259	24.4
194.12608	1.0
196.16911	4.5
209.11700	2.6
211.13310	29.7
212.95215	0.9
214.18030	45.0
215.18375	1.5
227.12791	46.7
229.14310	1.9
255.16098	1.0
263.96356	0.9
267.15924	22.9
283.15405	54.7
284.15796	1.5
285.16968	43.3
308.22208	2.9
326.23300	14.2
344.24313	29.8
383.22369	0.9
418.24567	1.1
424.30515	8.6
442.31665	13.9
462.23340	7.8
475.26971	27.3
493.28006	100.0
494.28107	2.5
574.28516	1.7
592.29645	19.3
646.37415	1.2
690.35797	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03628	0.4
53.03935	1.9
55.01628	0.5
55.01876	5.4
55.05515	13.9
55.51129	0.4
56.98439	0.4
57.03441	9.8
57.07072	0.6
59.04989	1.7
61.02928	3.8
61.69143	0.4
64.19342	0.4
65.03953	0.8
67.05507	15.6
69.03436	2.5
69.06788	0.4
69.07071	4.8
71.01360	0.6
71.05000	4.1
71.08658	0.5
71.23300	0.7
73.02905	1.2
79.05499	20.0
81.03422	39.7
81.07062	23.2
83.01356	4.3
83.04987	13.6
83.08625	21.2
83.09127	0.9
85.02907	16.4
85.06544	1.3
86.06111	0.5
91.03976	2.0
91.05487	20.4
93.07049	19.6
95.04976	16.1
95.05576	0.9
95.08610	9.7
97.02900	5.2
97.06531	4.9
97.10175	3.5
99.04455	2.0
99.08115	0.9
105.07040	14.5
107.04961	7.6
107.08607	10.1
109.02879	0.8
109.06527	5.7
109.10163	3.0
111.04432	3.9
111.08092	5.8
112.25275	0.4
113.05997	1.9
115.05466	1.0
116.10737	1.3
116.99413	0.4
117.07026	4.6
119.04937	0.4
119.08591	13.5
121.06513	3.2
121.10137	7.6
123.08084	6.1
123.11707	1.1
125.05978	1.8
125.09657	1.5
127.03910	1.0
128.06326	0.5
129.07010	6.3
130.07756	0.5
131.08568	6.4
133.06490	1.1
133.10141	7.3
135.08073	1.4
135.11717	7.2
137.09624	1.3
139.07550	0.5
142.07784	1.1
143.08629	0.7
145.06529	0.7
145.10129	9.5
147.08063	3.3
147.11688	7.7
147.12791	0.6
149.09657	3.5
153.12761	2.1
155.08549	1.5
157.10141	7.6
163.11186	15.4
165.12804	2.0
173.09618	1.7
175.11195	7.4
181.12259	2.2
184.07420	1.0
191.10721	1.5
193.10448	0.9
193.12254	24.4
209.11787	3.6
211.13300	37.5
214.18037	1.7
227.12791	2.9
249.14812	0.8
265.14359	0.7
267.15952	8.4
283.15411	52.8
284.15836	1.0
285.16983	31.6
344.24530	1.1
383.22305	2.2
400.48047	0.4
401.23117	1.4
442.30991	0.5
457.25980	4.3
475.26938	16.3
476.27206	0.6
493.27997	100.0
494.28339	2.3
586.29437	1.6
592.29877	0.7
637.32074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.1
55.01868	9.6
55.05273	3.1
55.05513	31.4
57.03451	12.9
65.03922	6.1
67.05508	95.1
69.03432	29.6
69.07072	25.6
71.04982	9.1
71.53429	3.7
79.05074	4.9
79.05497	65.1
81.03425	100.0
81.07060	82.0
83.04990	21.4
83.08614	23.8
85.02913	16.7
85.06554	5.5
91.05489	63.3
93.07048	70.7
94.09659	3.4
95.04979	41.0
95.08615	45.1
97.02885	18.5
97.06531	8.3
97.10165	10.4
99.04430	5.6
101.02376	2.7
103.03948	5.6
105.07034	44.7
107.04939	17.4
107.08595	35.9
109.02879	17.5
109.06521	9.6
109.10175	16.0
111.04446	12.4
111.08047	12.6
113.05981	3.2
117.07026	19.4
119.08584	38.7
121.06488	5.2
121.10149	28.7
123.04437	11.5
123.08112	5.0
123.11723	8.1
125.09626	5.0
127.03913	8.1
128.06252	6.4
129.05502	5.9
129.07016	17.8
131.08574	33.1
133.06465	5.5
133.10136	24.4
135.08057	4.6
135.10857	2.4
135.11700	17.8
137.09612	4.5
139.11278	2.6
141.06920	3.6
142.07814	4.8
143.08559	13.0
145.10130	22.2
147.04385	7.0
147.08038	8.9
147.11707	25.8
149.09625	8.1
149.13252	4.9
153.09105	4.1
155.08586	6.3
157.10147	15.2
159.08151	5.2
159.11646	14.0
161.05986	3.4
161.09647	3.7
161.13217	5.1
163.11142	13.0
165.12743	7.5
167.08589	4.2
169.10100	6.6
171.08041	6.1
171.11690	8.8
173.04466	7.5
173.09650	4.4
173.13281	6.7
175.11224	8.9
175.14850	3.0
177.12724	3.2
181.12267	3.2
183.11688	3.0
184.07362	6.9
185.09657	3.1
185.13295	6.2
187.14812	4.2
189.12810	6.1
191.10674	5.0
193.12241	27.4
195.11690	3.5
197.13177	3.5
199.11302	2.9
199.14845	2.7
207.11690	3.5
207.13747	4.0
211.13269	42.2
217.12233	2.8
223.13243	4.5
235.13303	19.1
255.13699	3.1
259.13202	4.9
259.20721	3.5
261.22192	7.0
267.15891	9.2
273.14935	9.0
285.17007	9.5
285.21783	3.5
301.14371	13.7
309.16956	4.1
313.21826	2.5
319.15494	4.0
335.25903	20.3
337.16342	3.7
347.18149	2.6
351.22983	5.9
355.17416	5.1
369.24271	10.8
375.18149	5.6
387.25400	5.0
393.18649	4.4
405.26401	2.9
411.20267	9.7
435.32422	3.2
437.28906	3.3
443.27902	3.4
461.29089	5.7
512.09949	2.9
527.37683	14.1
545.38293	6.0
569.38513	5.7
635.39319	8.1
653.40070	11.2
671.41516	18.1
689.42560	73.5
690.42786	3.3
692.91937	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01877	7.8
55.05517	20.5
57.03190	1.5
57.03440	12.0
57.66985	1.0
59.05012	1.7
61.02932	26.5
67.05140	1.5
67.05506	30.3
69.03435	25.9
69.07070	19.1
70.26698	4.0
70.47969	1.3
71.01356	1.6
71.04986	5.2
73.02933	11.4
79.05079	1.7
79.05505	23.1
81.03424	27.3
81.07057	22.9
83.05000	8.3
83.08624	12.1
85.02908	31.9
85.06545	3.1
86.06084	2.3
91.03963	15.2
91.05486	18.8
93.07058	18.9
95.04985	10.1
95.08618	13.0
97.02299	2.3
97.02902	33.9
97.06535	4.8
97.10177	12.6
98.20831	1.4
98.97608	1.5
99.04472	6.6
99.08093	2.3
101.02383	3.6
103.03935	5.1
105.03383	1.9
105.07038	16.3
107.04973	9.2
107.08599	16.3
108.60162	1.1
109.02877	10.8
109.06519	5.6
109.10139	11.0
111.04443	4.2
111.08081	3.7
115.03935	2.3
115.05442	1.5
116.10720	4.9
117.05451	1.7
117.07014	7.8
119.04957	1.5
119.08600	12.5
121.06496	3.4
121.10124	7.8
121.80660	1.1
123.04427	1.9
123.08065	4.7
123.11724	2.5
125.09639	12.0
127.03937	15.6
129.05501	2.3
129.07013	4.5
131.08559	9.7
133.06459	2.9
133.10144	7.6
135.08086	4.2
135.11723	1.4
137.05922	1.4
137.09627	2.4
143.08557	3.8
145.04985	5.2
145.06517	2.5
145.10143	8.6
147.08038	6.4
147.11674	3.7
149.09598	3.7
149.13310	1.7
151.07629	1.9
151.11229	1.8
151.98187	1.3
153.09158	2.4
157.10126	4.5
159.11723	2.0
160.71199	1.4
161.09579	3.4
163.11203	3.6
165.09093	1.8
167.10712	1.2
169.10129	1.8
171.10339	1.8
171.11716	2.9
173.04454	2.1
173.11813	1.6
173.13193	1.8
175.11221	4.3
177.05525	2.5
177.12712	1.9
183.06548	3.8
184.07321	2.1
185.13318	1.9
189.11214	8.0
193.12221	7.5
199.11205	1.7
201.07660	2.6
205.12280	1.6
207.13811	1.6
211.13287	9.8
211.40111	1.2
214.18062	12.6
223.13260	13.3
227.12790	6.2
229.14363	2.0
235.13347	2.1
245.18919	2.2
249.14949	3.6
255.17369	2.2
267.08945	1.6
267.15936	4.6
273.18481	17.5
283.15421	4.7
285.17041	4.6
291.19562	100.0
301.14374	1.6
309.17065	1.3
309.20526	2.7
344.24280	3.6
347.22134	10.4
365.23260	47.8
373.15097	1.6
380.51361	1.4
389.23242	2.6
393.22897	2.7
407.24191	1.8
411.20309	1.6
413.17731	6.4
429.21243	2.6
435.23920	2.2
442.31747	1.8
455.23746	1.6
462.23410	5.3
473.25507	2.6
491.26691	3.1
493.27570	4.1
509.27530	12.3
525.69727	1.9
527.18787	1.6
527.28711	7.2
585.28967	22.6
592.29730	1.9
689.33698	9.9
690.36676	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01851	0.8
55.05504	0.6
56.96546	1.1
65.03929	1.1
67.05492	2.6
67.59853	0.6
68.08383	0.6
68.76561	0.6
69.07066	1.0
69.47033	4.4
70.06572	0.8
71.04983	0.7
79.05476	2.5
79.66272	0.5
81.03410	2.3
81.07047	1.9
83.04990	0.6
84.08141	2.0
85.02913	1.7
86.06104	0.6
86.09715	1.4
89.03907	0.7
91.05483	4.7
93.05796	1.2
93.07034	1.0
94.06565	2.9
95.04994	1.0
97.06509	1.5
103.05471	0.8
105.07008	1.1
106.06535	0.8
108.08131	7.5
108.40838	0.6
109.06531	0.9
116.04991	3.2
116.10863	0.7
117.05742	1.4
118.06544	2.3
119.04852	0.6
120.08150	1.1
121.06523	3.9
122.03569	0.9
122.06072	3.0
122.06806	1.0
124.07603	5.0
128.95006	0.6
130.54263	0.7
131.04938	0.9
134.06010	1.5
135.06761	1.3
136.07596	8.0
137.05988	6.5
138.06337	1.7
138.09137	2.4
144.04469	5.6
146.05995	2.1
150.05475	2.9
150.09137	1.8
151.03925	0.8
152.07082	4.4
160.03969	1.4
160.05196	0.8
160.07596	0.8
162.05521	4.6
164.07077	12.0
171.18623	0.7
172.03947	34.8
172.07646	1.4
175.07509	0.7
180.10237	1.6
182.08218	1.6
184.07628	1.0
190.05000	2.6
191.07022	1.4
196.07506	0.8
198.09149	1.0
199.08765	1.3
201.05453	2.4
202.05780	1.2
204.06570	85.9
206.08269	1.1
209.10899	0.6
212.07210	1.0
212.16479	1.0
213.08017	0.7
213.10274	0.8
215.08171	1.0
215.11855	1.4
216.08990	2.9
217.09726	2.7
218.10507	0.7
223.08716	0.8
225.06578	2.3
225.10291	2.2
226.07254	0.9
226.10963	0.8
227.08113	3.3
227.11775	1.0
229.09775	1.1
230.10518	1.1
231.11299	3.9
232.09770	0.9
235.08565	1.0
236.09485	1.0
237.07982	0.8
237.10234	1.4
239.08092	7.5
239.11786	1.4
240.08791	5.3
241.09729	6.4
242.10469	1.9
243.07561	0.9
243.11288	1.3
244.08353	0.9
245.09224	0.8
246.07533	1.0
249.10222	1.0
251.05772	1.3
251.08139	1.2
252.09012	0.9
253.06084	1.0
253.09779	2.5
254.10536	4.4
255.11301	2.8
256.12134	2.0
257.12885	2.3
258.09872	3.5
259.10727	2.5
262.07275	1.4
264.09125	0.9
265.07248	1.1
265.09827	1.0
267.07813	3.0
267.11212	2.5
268.08444	5.3
269.09204	8.9
270.10074	1.2
271.10760	1.6
271.14621	1.0
272.18646	1.3
273.19025	1.2
277.09653	2.3
279.11163	1.1
282.09995	10.0
283.10788	12.5
284.11551	1.7
285.08612	1.3
285.12152	0.7
286.09589	1.4
287.10269	1.0
289.15527	0.7
291.13388	13.0
295.07419	1.3
295.10809	3.6
297.12335	19.9
299.10291	13.2
299.13556	1.4
300.11023	5.8
301.11896	1.5
302.12601	0.8
304.10754	1.0
305.09125	0.9
309.11826	0.7
310.09341	4.9
311.10376	1.0
311.13806	1.0
311.85532	0.7
315.13419	25.3
316.14465	0.7
317.11417	1.4
317.14972	15.2
319.12906	43.7
323.10291	24.7
325.11893	1.7
327.13303	0.9
328.10535	15.1
329.14969	9.3
337.11749	0.8
339.13422	5.9
343.12903	100.0
344.13138	1.5
353.14926	1.4
355.12891	22.0
361.13947	4.8
371.16040	16.8
373.13800	1.1
458.13525	1.4
460.21985	0.8
466.19772	1.7
480.21259	2.9
490.15839	1.1
597.23230	1.1
607.21582	1.2
625.22742	1.1
639.24518	17.4
640.25903	0.7
657.25769	5.3
671.27240	5.6
689.28705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11839	0.5
53.03918	2.0
54.62370	0.5
55.01875	1.1
55.05486	2.6
56.05024	0.6
57.03404	2.4
58.40470	0.6
61.02898	1.7
62.06068	1.1
65.03934	0.8
66.76198	0.6
67.05508	6.2
67.65250	0.6
69.03094	0.6
69.03427	9.9
69.07047	1.5
69.30096	5.1
70.06559	1.9
71.04964	2.1
71.08636	8.8
72.08122	2.7
73.02888	2.2
79.05492	6.8
81.03011	0.6
81.03420	8.7
81.07066	9.1
83.04951	2.7
83.08609	1.3
84.04488	1.0
84.08114	1.8
85.02453	0.7
85.02910	10.7
85.06513	1.0
86.06071	38.0
87.00825	3.4
87.04446	1.3
91.05491	3.9
93.07046	4.4
95.04986	3.5
95.08583	2.3
96.08128	5.4
97.02896	4.9
97.06551	3.3
98.06049	1.7
98.09096	0.9
98.09695	9.9
99.04457	3.9
99.08096	7.7
100.07601	1.2
101.02351	1.1
105.01863	0.9
105.07009	2.5
107.04958	7.5
107.08591	4.0
108.08080	2.3
109.02885	6.4
109.06487	1.9
109.10107	1.8
111.04436	1.0
111.08056	0.8
113.05935	0.6
114.09138	1.7
115.03952	0.9
116.10734	70.5
117.06984	2.6
119.08576	3.7
121.06474	1.6
121.10157	3.8
122.09641	1.8
124.07579	1.8
125.05947	2.0
125.09560	0.7
126.09175	0.8
127.02970	0.8
127.03924	11.6
127.07515	1.8
129.01840	1.5
129.06955	2.2
131.07907	0.5
131.08577	5.1
133.10124	1.3
135.08015	0.8
135.11668	2.4
136.11122	1.0
137.09610	0.7
138.09021	0.7
140.10667	1.2
142.08673	3.2
142.12254	1.6
143.10693	4.2
145.04941	2.2
145.06494	1.2
145.10127	8.6
147.02802	1.1
147.08044	1.7
149.09587	3.6
154.15936	3.3
155.08517	4.7
163.11189	5.9
165.09120	2.3
166.15904	1.9
171.10179	0.7
173.09622	9.1
178.15895	1.2
180.14357	0.7
191.10683	14.5
196.16975	8.6
209.11699	4.2
213.03908	1.3
214.18028	100.0
215.18169	1.0
227.12820	2.4
231.05029	0.8
242.17636	1.2
267.08990	1.0
270.17056	1.3
271.15436	1.1
306.20618	1.4
324.21729	8.6
329.12476	0.9
342.22760	61.0
343.23160	1.3
347.13336	1.6
418.24384	1.6
422.28943	6.6
440.30087	48.3
449.40585	0.6
459.27374	0.8
462.23352	32.5
463.23572	0.8
491.26477	0.7
504.28098	1.4
546.29218	3.5
572.26923	1.0
590.28107	37.5
602.35315	1.2
644.36682	3.3
688.23810	1.1
688.35468	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	688.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20743	0.4
50.73326	0.5
53.03923	1.7
55.01850	1.5
55.05491	2.3
57.03417	1.5
61.02942	1.0
62.06060	0.7
67.05512	5.9
69.03433	6.3
69.07051	1.5
69.29717	4.5
69.90710	0.5
70.06581	1.3
71.04973	1.7
71.08640	8.6
72.08150	2.4
73.02906	1.1
79.05505	6.9
81.03423	7.1
81.07057	6.8
83.04950	1.8
83.08601	0.7
84.08131	2.0
85.02438	0.7
85.02914	8.5
85.06510	0.9
86.06071	31.1
86.09677	0.7
87.00824	2.6
87.04469	0.9
91.05495	4.1
93.07053	4.7
95.04974	3.0
95.08624	2.4
96.08130	5.6
97.02907	4.2
97.06524	2.5
97.10153	0.5
98.06046	1.1
98.09692	9.2
99.04449	2.9
99.08095	6.0
100.07602	0.7
105.01865	0.9
105.07024	2.7
107.04957	5.8
107.08604	3.6
108.08097	1.8
109.02251	0.6
109.02898	6.6
109.06508	1.3
109.10146	1.5
111.04460	1.0
111.08089	0.9
114.09146	1.6
116.10737	61.3
117.07036	3.1
119.08551	2.0
121.06465	0.9
121.10151	3.6
122.09658	2.1
123.08105	0.6
123.11686	0.6
124.07579	1.4
125.05997	1.4
125.09621	0.6
126.09100	0.6
127.03929	10.9
127.07538	1.4
129.01804	0.9
129.07025	1.4
131.04941	0.6
131.08575	5.1
133.10118	0.9
134.09677	0.6
135.08116	0.6
135.11668	1.7
136.11227	0.8
138.09132	0.8
140.10645	1.6
142.08632	3.4
142.12273	2.3
143.08611	0.5
143.10684	4.7
145.04922	1.3
145.06554	1.3
145.10129	8.8
147.08038	1.8
147.11707	1.2
149.09595	1.6
150.12810	0.6
154.15904	3.2
155.08534	4.1
159.02914	0.9
163.11197	3.9
165.09131	2.3
166.15924	2.0
171.10138	0.8
173.09628	7.8
178.15953	1.6
181.12431	0.5
187.06152	0.6
191.10692	13.3
196.16977	7.6
206.15434	0.6
209.11732	3.2
213.03981	1.6
214.18030	100.0
215.18376	1.5
225.11066	0.8
227.12784	1.7
231.05046	1.3
232.73170	0.5
242.17447	0.6
243.12303	0.6
254.25043	0.5
267.09109	0.7
267.15845	0.7
270.16818	0.9
306.20755	1.2
324.21744	7.3
329.12445	1.4
342.22766	52.7
347.13394	1.9
376.23135	0.8
418.24426	2.5
422.29037	8.2
440.30109	39.2
441.30270	0.8
462.23380	31.5
463.23691	0.7
491.26099	0.9
504.27768	1.3
519.92499	0.5
546.29211	2.2
590.28113	29.5
591.28497	0.5
602.35260	0.9
644.35968	2.6
646.27728	0.6
670.34332	0.9
688.35309	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	688.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10871	1.0
53.03958	1.0
53.10677	1.0
53.56834	1.0
55.01873	4.2
55.05510	8.6
56.96579	1.2
57.03432	5.7
57.23325	1.1
59.04998	1.5
67.05502	11.5
69.03432	1.5
69.07076	5.1
69.58789	1.2
70.20174	4.6
71.05019	1.6
73.02944	2.1
79.05493	17.3
81.03413	8.6
81.07068	13.3
83.01347	3.2
83.04990	7.7
83.08627	8.3
85.02905	6.5
85.06543	1.5
91.03976	1.7
91.05483	8.5
93.07051	22.0
95.04937	5.2
95.08612	16.5
95.70343	1.1
97.02890	4.2
97.06531	3.3
97.10139	1.7
98.97597	1.4
99.04472	2.4
105.07014	9.1
107.04963	7.6
107.08598	16.5
109.06509	3.5
109.10152	2.7
111.04446	3.8
117.07004	5.9
119.08624	6.6
121.06521	3.1
121.10137	8.0
123.08073	4.2
125.06063	1.4
127.03957	2.2
131.08586	1.7
133.10146	3.4
135.08049	2.1
135.11699	22.2
145.10135	20.2
147.07964	1.5
158.99567	1.2
163.11188	35.3
164.11674	1.0
165.09039	1.5
173.09630	1.7
181.12222	4.9
184.07359	2.2
191.10785	1.5
203.71790	1.0
209.11772	5.1
224.06258	1.1
227.12811	25.2
230.55414	1.2
267.16061	1.3
283.15414	100.0
346.19928	1.6
360.83411	1.1
365.23001	4.4
395.17535	1.2
453.35938	1.2
459.26978	1.4
491.26437	75.8
492.26624	1.2
551.19928	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	688.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40466	0.8
53.03957	1.7
55.01873	4.2
55.05516	9.6
57.03434	6.7
57.07075	1.2
59.04990	1.7
61.02936	4.0
64.84646	0.9
67.05233	0.8
67.05517	8.9
69.03426	2.6
69.07061	3.0
69.19199	5.5
69.19621	2.9
71.01366	0.8
71.04990	2.0
73.02908	2.0
79.05491	9.8
81.03422	8.9
81.07071	12.3
83.01344	5.6
83.04982	6.7
83.08628	6.7
85.02908	6.2
85.61457	0.8
86.09721	1.2
91.03975	1.1
91.05482	8.1
93.07058	15.0
95.04995	4.4
95.08621	5.3
97.02901	2.9
97.06532	3.1
97.10134	1.2
98.20799	1.9
98.97565	1.1
99.04443	1.1
105.07040	6.1
107.04935	5.1
107.08610	6.5
109.06548	3.9
109.10129	1.9
111.04432	2.0
111.08083	1.0
117.07007	4.3
119.08560	6.3
121.06487	2.6
121.10122	4.5
123.08083	6.0
125.09641	1.1
129.07027	2.1
130.07773	0.8
131.08557	2.4
133.10176	2.0
135.08089	1.5
135.11720	6.9
137.09654	1.1
143.08632	1.1
145.06566	0.9
145.10130	8.1
146.31824	0.8
147.08031	2.0
149.09627	1.0
153.12752	2.5
154.90605	1.0
155.08600	1.3
163.11189	16.3
173.09627	2.4
181.12302	1.5
184.07347	1.4
191.10701	2.8
209.11766	4.3
214.86276	0.9
227.12810	3.3
266.92636	0.8
283.15411	100.0
284.15875	1.0
431.06689	0.8
437.15942	1.0
491.26413	47.6
573.96826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.05513	13.5
57.03441	13.2
57.07071	1.8
58.53358	0.7
59.04998	2.9
61.02933	5.3
65.03932	3.3
67.05510	100.0
67.74415	0.7
69.03438	1.7
69.07077	9.2
70.13737	2.2
71.05003	3.3
73.02930	1.2
79.05498	22.4
81.07062	40.5
83.04987	1.7
83.08624	7.7
85.02911	5.3
85.06561	2.4
86.09737	0.7
91.03968	1.8
91.04976	0.6
91.05486	15.2
93.07052	27.3
93.07647	1.3
95.04993	2.3
95.08614	29.8
97.02922	2.3
97.06557	1.4
97.10195	2.3
99.04478	0.7
99.08118	1.1
100.11277	1.1
105.07040	8.7
107.08602	17.3
109.06474	0.9
109.10161	75.5
110.10511	0.9
111.08083	3.5
117.07029	3.7
119.08587	10.5
121.10153	13.6
123.11732	3.3
125.09684	1.0
131.08578	5.2
133.10147	6.1
134.73413	0.8
135.11707	7.2
135.44817	0.7
137.09673	3.0
145.10133	4.5
147.11685	4.3
149.13278	4.8
155.10681	6.2
159.11714	3.5
161.13338	2.6
163.14883	2.9
173.11780	16.2
173.13333	3.4
184.07458	0.8
187.14853	2.2
189.11118	0.7
205.16063	0.8
211.62914	0.7
227.12749	3.8
229.14363	88.1
243.21120	6.0
259.20773	0.9
261.22141	17.6
261.24817	0.9
288.71863	0.9
317.24670	3.5
335.25818	80.6
336.26251	1.6
397.31406	1.4
415.32370	1.0
451.96179	0.8
471.34872	1.5
489.35794	66.3
507.36945	4.7
627.29028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55052	0.6
53.03943	3.8
55.01872	4.0
55.05514	4.7
56.05816	1.3
57.03401	2.2
59.03720	0.6
59.98186	0.6
61.02602	0.6
61.02905	1.9
63.78846	0.6
69.03433	9.3
69.07057	0.8
70.06546	1.6
70.19814	1.1
70.20187	1.9
71.04963	2.0
73.02876	2.0
78.04647	0.6
79.05492	2.9
81.03421	17.6
81.07030	1.3
82.06566	1.2
83.04973	0.5
83.08646	2.9
84.08105	1.1
84.08917	2.0
85.02908	25.7
87.00832	10.9
91.05456	2.3
93.07002	0.6
95.04945	0.8
95.08557	0.7
97.02900	12.5
99.04458	4.9
100.07592	0.9
100.11264	16.6
101.07977	0.7
101.11004	0.8
101.11588	7.6
102.11910	1.5
103.05437	1.2
105.01228	0.8
105.01867	8.3
105.07030	1.2
107.04958	8.5
108.04443	1.6
109.02872	10.5
111.04428	1.0
112.04778	0.7
115.05433	4.9
117.01834	1.1
117.07011	13.2
119.08546	0.6
123.04393	2.7
124.05172	2.3
126.05463	0.8
127.03921	18.4
127.05359	1.0
128.06236	1.3
128.07108	1.5
128.09067	0.7
129.01804	1.4
129.07014	2.0
130.04182	0.7
131.04910	1.1
131.08546	2.7
133.06509	1.4
137.05939	1.0
139.08554	0.7
141.06953	1.4
143.04951	0.7
144.05740	2.8
145.04947	7.4
145.06453	26.9
147.02911	1.4
147.04378	0.5
147.08023	1.1
151.78635	0.7
152.04671	1.5
155.06000	4.7
155.07047	0.7
156.04726	0.6
156.05730	5.6
157.06442	1.8
158.01042	0.7
158.07251	0.6
159.02904	6.4
159.08064	5.9
160.05162	0.8
161.05966	2.3
163.03899	1.1
167.07043	45.4
169.07629	1.2
172.05127	1.1
173.05989	55.0
175.04051	0.8
175.07527	1.6
177.05486	0.8
181.04951	1.6
181.08499	0.9
182.15413	2.8
183.06548	0.9
183.15729	3.8
184.05135	1.6
184.16026	1.6
185.16316	0.7
187.07550	5.7
190.06253	34.1
191.06949	1.7
193.08646	1.7
195.06526	0.6
202.06235	3.3
203.07016	6.0
205.08601	100.0
206.09003	0.8
207.06526	2.0
209.16495	3.6
210.14856	2.4
210.16820	3.3
211.15210	4.3
211.17082	1.5
212.15436	3.7
213.03923	1.2
213.15698	1.4
215.06995	2.1
217.08595	39.6
219.08107	1.3
219.10170	5.0
223.09628	2.1
226.19157	0.8
229.15608	0.7
230.06619	0.9
231.05049	3.1
231.08026	0.9
231.10092	1.1
233.09491	0.8
235.09662	29.1
247.07498	1.4
247.09688	6.7
248.08122	2.7
249.11224	0.8
251.10606	0.7
263.10626	1.0
264.07892	1.0
265.10736	45.7
266.08820	0.8
269.08115	1.5
271.09705	1.4
275.07095	1.5
276.07803	1.4
277.08295	0.8
279.10196	1.1
291.10217	2.5
293.08054	1.2
299.09100	1.1
307.09653	1.8
311.12881	1.0
315.08646	6.9
319.09464	0.8
323.12759	2.3
330.11011	13.2
331.11847	3.8
333.23309	1.2
336.09839	0.8
337.10599	0.8
339.12241	1.3
342.23651	3.4
343.11890	2.0
351.12421	3.3
351.24457	16.3
351.74570	3.9
353.10367	1.0
359.23169	3.6
359.73624	0.9
368.12448	1.5
369.13348	2.2
371.14960	3.1
383.14874	15.7
385.16681	1.1
401.15958	24.2
475.31226	0.8
507.13840	0.7
594.04590	0.7
650.23938	0.7
665.50891	4.1
683.52356	30.2
684.52362	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	681.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.2
56.96567	0.3
59.16537	0.3
69.03444	0.5
69.07058	0.4
70.06603	0.5
71.04993	0.3
71.14013	0.4
71.14347	0.3
79.05505	0.4
81.03443	0.3
81.07069	0.5
84.08148	0.8
85.02920	0.7
86.09717	0.6
91.05481	0.4
93.07081	0.4
95.08574	0.4
97.06556	0.3
101.88258	0.2
102.48883	0.2
105.07042	0.3
105.47256	0.2
114.24701	0.2
120.08089	0.2
127.03983	0.4
139.85635	0.3
143.95689	0.2
163.03932	0.5
185.04254	0.5
208.55089	0.3
239.11746	0.3
259.07837	0.6
287.05496	0.6
347.09589	1.0
357.18924	3.2
373.14038	1.2
381.43600	0.2
443.18964	0.3
459.22470	0.5
469.20306	0.3
487.21320	0.9
501.16272	0.3
519.24164	27.5
520.24725	0.4
621.26996	0.5
631.24042	0.3
645.24963	0.4
649.26361	0.5
663.28296	0.3
681.29413	100.0
682.29639	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	681.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91035	0.3
61.02925	0.7
65.32548	0.3
68.78088	0.4
69.79751	1.8
70.06595	0.5
73.02899	0.5
74.60124	0.4
84.08148	1.5
85.02920	0.7
86.09707	0.4
91.03944	0.4
101.47409	0.3
111.44260	0.3
120.78889	0.3
185.04262	0.5
203.05313	1.4
255.02472	0.3
259.08005	1.5
283.15155	0.4
290.01364	0.3
303.04950	1.7
304.05380	0.4
325.31732	0.3
347.09509	1.1
357.18948	3.0
365.10522	3.1
377.01938	2.0
403.05191	1.0
421.13452	1.5
433.32965	0.5
457.57114	0.4
459.21811	0.5
469.20856	0.5
484.07361	0.5
487.21817	0.8
519.24188	24.7
621.27307	0.5
649.26428	0.6
676.36670	0.4
681.29431	100.0
682.29706	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18108	1.8
53.03957	3.0
55.05510	11.2
57.03429	8.1
57.07078	3.6
61.02929	21.7
65.03941	4.8
65.24981	2.1
65.53117	1.9
67.05184	3.8
67.05511	57.2
69.03423	3.3
69.07057	11.6
71.04991	3.4
71.35406	3.8
71.35749	2.7
73.02914	7.4
79.05069	3.5
79.05497	39.3
81.03415	4.1
81.06593	4.7
81.07057	57.9
83.04993	4.4
83.08621	5.2
85.02437	2.8
85.02905	28.2
91.03963	22.1
91.05475	21.8
93.07048	45.4
95.08616	62.8
97.02924	20.3
97.06566	4.8
97.10168	4.9
98.97564	2.6
99.04474	2.5
105.07053	19.3
107.08597	37.9
109.10166	39.2
111.04417	3.6
111.08131	3.2
117.07024	7.5
119.08604	20.2
121.10152	30.8
123.11739	16.6
125.09576	2.7
127.03922	11.6
131.08582	16.3
133.10143	15.3
135.08015	2.2
135.11708	30.1
137.13234	3.2
139.11189	2.7
145.04924	10.1
145.10150	17.3
147.11697	17.7
149.09656	2.5
149.13278	26.1
151.11136	3.7
157.10030	2.2
159.11707	18.4
161.13219	4.3
163.06018	19.8
163.14807	8.2
165.12733	2.8
173.13252	16.5
184.07381	2.6
187.14761	4.0
195.13802	2.1
201.16406	3.4
219.21231	2.3
229.19521	47.7
247.20587	100.0
248.20784	2.5
252.58565	2.4
265.21664	4.4
284.44638	2.1
289.84573	2.3
321.24234	37.8
339.21396	3.3
339.25336	56.1
375.00723	2.8
447.87335	2.1
483.29486	6.0
551.20233	3.1
680.32501	2.3
695.44934	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	679.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05509	21.3
56.96568	2.9
57.03434	12.1
57.07082	17.9
61.02927	21.4
62.75022	1.9
65.03939	3.1
67.05508	89.9
67.66350	2.0
69.03424	7.6
69.07074	31.2
69.62243	9.2
71.05003	16.3
71.08630	3.3
73.02916	9.4
75.04465	3.8
79.05496	29.7
81.03424	4.2
81.07059	100.0
83.04986	10.0
83.08612	19.2
85.02905	37.2
85.06535	8.0
85.10205	3.7
91.03960	21.6
91.05486	15.0
93.07044	30.8
95.04970	4.8
95.08611	89.2
97.02892	14.6
97.06535	11.4
97.10165	12.8
97.63449	2.1
98.20792	2.8
98.97620	3.7
99.04428	3.0
99.08104	7.0
105.07043	17.2
107.08616	25.7
109.02891	2.4
109.06541	2.4
109.10175	46.0
111.04444	4.6
111.08096	4.5
111.11706	4.3
112.44664	2.3
113.06043	2.0
113.09648	2.4
114.80480	2.2
117.06985	2.8
119.08594	20.4
121.10137	27.7
123.08115	5.2
123.11713	19.1
125.09629	6.1
127.03898	6.5
129.05473	3.5
133.10130	18.6
135.11705	15.5
137.09595	4.3
137.13235	8.7
141.12804	3.3
141.30956	2.3
143.08498	3.1
145.04968	9.6
145.10143	4.0
147.11734	13.3
149.13248	12.0
151.07521	2.7
151.11171	2.3
151.14825	7.4
161.13261	16.3
163.06044	11.4
163.11172	3.4
163.14836	14.9
165.16403	12.6
175.14786	11.0
179.14287	3.1
179.18005	8.8
181.12262	4.2
183.11697	2.4
184.07339	3.2
189.16437	7.0
193.05046	3.0
193.15788	2.5
217.19461	3.3
219.01631	2.9
237.02757	3.3
245.20691	1.4
245.22643	63.5
263.23718	90.2
265.25018	3.1
335.25491	3.1
337.27393	70.7
355.28458	10.4
382.10675	2.5
387.77789	2.5
441.13205	2.8
499.32645	10.7
543.19879	9.0
551.20880	2.2
552.12402	3.6
570.14014	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.2
53.03938	2.1
55.05518	12.6
57.03442	6.9
57.07066	3.3
58.11378	1.1
61.02930	19.0
65.03963	2.3
67.05506	78.3
69.03430	2.7
69.07069	11.2
70.09933	5.0
71.05006	2.2
73.02913	7.9
75.04443	1.5
77.91469	1.3
79.05495	44.2
81.03418	3.6
81.07058	90.3
83.08617	7.5
84.49281	1.2
85.02905	24.3
85.06557	3.0
86.13129	1.4
91.03960	17.5
91.05485	20.8
93.07047	55.0
95.04969	2.7
95.08609	65.9
97.02902	7.8
97.06520	3.2
97.10154	3.5
99.04436	1.7
99.08107	3.6
103.03941	1.9
105.04535	1.3
105.07020	17.6
107.08595	35.5
109.06514	3.1
109.10163	35.7
111.08099	1.7
113.09637	1.8
117.07013	9.3
119.08583	17.1
121.09323	2.6
121.10144	34.7
123.08057	1.4
123.11719	19.0
125.09659	1.7
127.03904	5.5
128.49571	1.2
131.08571	19.7
133.10133	15.2
135.11697	28.5
137.09633	1.9
137.13254	4.8
139.11226	2.0
145.04933	7.9
145.10136	18.1
147.11687	9.9
149.13257	21.9
151.11217	2.5
151.13599	1.3
151.14824	3.0
153.12794	1.4
157.10129	1.5
159.11708	15.7
161.13255	12.6
163.06013	13.5
163.11284	1.4
163.14822	16.4
165.12726	3.5
173.13261	17.3
175.14821	4.5
177.12755	1.4
177.16351	8.1
179.14287	3.2
187.14792	10.4
191.14273	2.5
193.34602	1.3
201.16389	4.6
205.15720	1.7
210.05501	1.4
213.98703	1.3
215.17987	1.6
215.54823	1.3
233.22659	2.8
243.21091	35.2
261.22141	100.0
262.22452	1.4
279.23129	6.5
335.25815	38.8
353.26855	43.0
365.95526	1.4
497.30920	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	677.372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.5
66.62746	0.4
67.05475	0.7
70.99023	0.4
71.54778	0.5
79.05499	0.4
80.88802	0.4
81.03425	0.4
81.07060	0.5
83.04965	0.8
88.30092	0.4
93.07092	0.4
95.08603	0.4
95.71583	0.3
97.06510	0.4
105.07013	0.5
107.08606	0.4
111.04430	0.4
118.16903	0.3
121.10058	0.4
149.02388	0.8
184.07420	0.4
185.04260	0.5
193.04924	0.5
203.05310	1.6
219.96825	0.4
256.26349	1.0
259.07898	0.9
333.25189	0.7
347.09564	1.3
364.33063	0.4
365.10486	3.5
421.13074	0.8
515.31921	24.9
569.41248	0.4
677.37170	100.0
678.37781	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89481	2.7
53.03948	4.1
55.05515	14.0
57.03438	7.9
57.07073	10.0
59.87832	2.6
61.02925	16.5
67.05503	82.6
69.03426	7.3
69.07066	15.1
71.53651	6.1
73.02906	9.6
73.16262	3.2
79.05486	45.1
81.06589	5.8
81.07053	93.3
81.07787	3.7
83.04972	5.6
83.08617	9.9
85.02908	26.5
91.03981	17.3
91.05476	29.7
93.07040	74.7
95.04955	4.9
95.08603	77.2
97.02884	9.5
97.06519	4.6
97.10210	3.4
103.03996	4.3
105.07037	17.2
107.08591	36.3
109.10154	44.9
111.04433	5.9
117.07015	11.2
119.08592	19.9
121.10139	37.8
123.11721	19.5
127.03916	5.9
131.08572	25.9
133.10124	18.2
135.11678	32.1
137.13240	6.8
145.04918	8.1
145.10110	17.7
147.11674	17.9
149.13252	24.9
159.11667	16.5
159.32423	3.3
160.54497	2.6
161.13271	13.0
163.06012	13.0
163.14809	16.7
165.12752	3.4
173.13275	20.8
177.12732	5.3
177.16382	7.0
187.14838	10.6
205.15991	3.1
233.22620	3.4
243.21022	29.3
256.26370	7.8
261.22150	100.0
279.23230	5.2
335.25818	37.0
353.26883	43.8
454.37140	3.5
497.31033	9.2
677.54468	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	677.2821
Annotation	11-epi-Azadirachtin D
Peak:m/z	Relative Intensity
61.79066	0.6
62.01901	0.6
65.03947	0.9
67.05496	2.8
69.03441	1.2
69.07070	0.8
70.06587	1.2
71.32387	0.7
79.05495	1.9
81.07050	0.8
84.08129	0.6
91.05488	1.7
93.05794	1.6
93.07048	1.5
94.06597	5.3
95.04980	1.0
95.08647	0.6
96.04460	0.8
96.08146	1.1
98.97581	0.7
106.06568	22.0
107.07326	2.6
108.07446	1.2
108.08131	18.9
110.09679	2.0
117.11665	0.7
120.04472	6.5
120.08115	8.3
122.06039	17.9
122.08881	0.7
122.09657	3.1
124.07597	2.6
126.09158	0.8
134.06010	2.7
136.07590	4.6
136.72163	0.6
138.05499	2.6
138.09148	16.2
146.06061	1.3
148.07587	100.0
149.04729	1.5
149.08093	0.7
150.05524	10.8
150.09158	2.0
152.07089	2.7
162.05531	14.3
162.09122	0.9
164.07088	9.0
166.08656	56.7
172.03938	0.9
174.05530	1.0
174.09184	0.9
178.05017	7.9
180.10204	3.3
180.57242	0.6
182.08171	1.2
188.03435	10.8
190.08638	2.0
192.06595	8.2
194.08128	4.1
196.06061	0.7
197.10742	1.8
198.11630	1.0
199.12367	0.7
204.06644	1.6
206.04443	0.7
210.07661	1.2
211.12367	1.0
212.09361	0.8
213.10252	1.8
223.08810	0.8
223.12256	0.7
225.10190	3.7
226.11162	0.9
227.08209	0.9
227.11833	5.8
229.13405	1.4
235.84235	0.8
237.10255	3.1
238.11057	1.0
239.08197	5.6
239.11839	2.9
241.09724	4.0
242.10222	0.7
243.11311	3.0
245.12865	4.4
247.72000	0.6
249.10297	1.8
251.08185	4.8
252.08943	1.0
253.09756	9.5
255.11310	4.1
256.11975	0.8
257.12833	2.1
263.11826	1.8
265.09747	12.0
266.10529	2.8
267.11331	9.8
268.11987	1.0
269.09323	2.0
269.12894	10.0
271.11090	4.6
271.14368	7.1
272.11566	0.7
273.12485	1.2
273.15915	0.9
278.10635	1.3
279.11285	2.6
281.09332	2.5
281.12866	1.0
283.10800	2.5
285.12341	8.2
285.15903	1.4
287.10712	1.1
287.13968	4.4
291.11313	1.3
293.09219	21.3
294.09769	0.7
295.10770	9.9
296.11224	0.8
297.12372	12.8
299.10327	2.4
301.15656	1.4
303.13464	4.3
307.10767	2.0
309.12320	2.6
311.10306	16.9
311.13681	1.0
313.11813	10.0
315.09940	1.5
315.13507	2.6
317.15198	0.7
319.16739	0.8
323.10364	0.6
325.11896	2.3
327.13614	1.1
329.11462	1.3
329.15076	2.9
330.12479	1.9
331.12961	1.6
333.14456	1.9
335.10236	1.0
339.09787	2.2
341.11374	2.5
343.13074	1.8
344.13858	1.5
345.14545	2.8
346.15509	1.6
353.11310	4.4
355.12878	1.6
357.14627	1.9
358.15417	2.7
360.17093	0.8
363.15427	1.1
371.12732	1.2
372.17017	0.7
373.13983	1.9
376.16620	3.7
385.14166	2.3
388.16641	1.5
392.19797	1.0
400.16626	2.2
402.14481	0.9
404.15955	2.0
408.19229	0.8
418.17661	10.1
422.21259	1.3
434.20923	10.9
436.18729	16.2
444.15906	0.9
446.17249	3.8
448.17847	0.8
452.21918	2.6
458.17285	0.8
460.18790	2.5
462.16516	1.0
463.17526	0.8
464.18192	2.2
466.19809	1.1
478.19836	18.3
492.20969	1.3
496.20859	2.1
510.22479	13.5
512.20288	0.8
520.20782	2.4
521.21802	1.2
525.21173	0.9
530.21130	1.5
539.22797	1.1
541.24225	1.6
552.22772	1.3
559.25641	1.1
564.11450	0.8
567.22430	7.9
583.25311	4.8
585.23474	14.0
601.26508	2.6
603.24304	2.5
609.23419	6.0
627.24518	32.3
641.25903	1.7
645.15674	1.2
645.25635	18.2
659.27179	5.0
677.27863	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	677.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.9
67.05496	4.8
70.06338	2.2
70.06705	2.7
79.05496	2.4
81.07045	1.4
82.06618	1.3
84.65883	1.2
91.05482	6.0
93.05770	2.3
93.07029	1.9
94.06578	11.8
96.08119	5.0
97.06554	1.6
106.06546	2.3
107.07340	1.3
108.08123	19.1
110.09696	4.2
116.04977	4.4
118.06578	2.3
120.04462	3.3
120.08121	8.6
122.06036	49.5
122.09649	1.3
124.07603	27.4
132.04465	3.0
134.06013	12.8
136.07585	69.4
137.08400	2.1
138.05544	8.0
138.09146	34.2
138.10220	1.7
140.07013	1.7
144.04436	9.1
146.06012	18.3
148.03961	4.6
148.07587	1.5
149.04779	2.4
150.05516	29.2
150.09134	2.8
152.07066	10.2
154.20584	1.1
160.03957	16.0
162.05516	69.5
162.09137	1.7
164.07076	100.0
165.07483	1.6
166.08669	3.9
168.06537	1.6
170.08150	3.5
172.03941	48.6
174.05515	7.6
178.05066	2.2
178.08684	2.2
180.06549	1.9
180.10211	18.3
182.08144	11.2
190.04999	20.5
192.06581	3.3
194.08147	1.9
204.06572	83.8
206.08160	6.1
211.12265	1.4
213.10184	2.3
222.07693	3.8
227.11774	1.6
229.13461	2.3
233.12791	2.3
234.09140	1.9
235.08614	2.8
236.09529	1.7
237.10327	3.6
239.08122	2.3
239.11758	2.2
245.09282	1.6
249.10141	1.4
251.08270	1.9
251.11781	2.9
253.09801	2.9
253.13422	2.7
255.11331	2.7
257.12875	2.7
260.61099	1.4
263.08209	3.8
264.09042	3.4
267.11218	2.9
269.09207	7.2
271.11539	1.2
271.14551	3.4
273.12439	1.5
277.09729	2.1
279.11279	12.2
281.09338	2.9
283.10724	3.0
285.12399	5.2
286.13065	2.2
287.10687	1.8
287.13809	7.7
288.33978	1.2
291.13330	2.0
295.10828	4.2
297.12332	41.6
299.10291	2.1
299.13766	2.7
303.13425	4.9
307.10687	1.9
311.10208	5.7
311.13986	4.1
313.11795	3.6
313.15317	1.7
315.13342	3.4
323.10242	31.5
329.11353	4.6
329.14972	15.1
331.12891	4.1
339.13440	13.2
341.11374	8.4
343.13007	1.6
353.11115	1.4
355.12891	10.3
371.15961	6.8
373.13892	8.3
399.15323	1.3
420.19165	4.9
446.17056	13.7
464.17963	9.4
466.14981	7.4
466.21268	1.6
468.20966	1.6
478.19626	5.8
480.21454	6.5
490.20102	2.3
496.20679	2.6
502.16095	4.1
508.20581	5.5
522.23059	17.5
534.18561	2.0
540.22827	1.7
583.25366	2.9
601.26489	4.1
609.23090	4.4
627.24438	23.7
641.25409	2.3
645.25629	22.0
646.25177	1.5
659.26971	15.5
677.27802	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	676.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01857	1.2
55.05524	4.0
57.03442	3.9
61.02934	6.6
62.27671	0.6
67.05224	0.7
67.05511	7.0
69.03429	3.1
69.07046	2.2
69.50920	3.0
69.51343	1.3
70.06592	4.5
71.04980	1.1
73.02914	2.7
79.05495	7.5
81.03423	81.0
81.07061	7.0
83.04981	3.3
83.08624	23.2
85.02908	8.8
86.09717	0.7
91.03961	7.8
91.05484	9.6
93.07043	5.6
95.04375	1.4
95.04973	25.4
95.08614	2.2
97.02897	6.1
97.06519	1.0
97.10197	1.0
98.20728	0.9
99.04407	0.7
99.08115	0.9
105.07032	6.7
107.04959	5.4
107.08610	2.8
109.06517	2.7
111.04453	2.4
111.08082	9.8
113.04734	0.8
117.06998	0.7
119.04951	0.9
119.08578	7.6
121.06506	2.7
121.10139	4.9
123.04445	3.4
123.08047	1.2
125.09615	0.8
127.03928	2.6
129.07004	7.0
129.30664	0.6
131.08592	6.8
133.06496	2.8
133.10158	3.1
137.05986	1.1
137.09610	1.0
142.07761	1.6
145.04961	2.9
145.10104	2.2
147.04488	1.2
147.08066	3.2
147.11707	6.7
149.09631	4.4
157.10138	10.6
163.06049	6.0
163.11151	0.8
165.12764	2.3
167.26534	0.7
175.11209	13.0
193.12257	67.6
207.13841	1.1
211.13289	5.7
217.12277	1.2
235.13274	4.2
259.10654	0.7
259.13455	1.9
260.24533	0.7
265.52982	0.6
267.15936	37.5
273.14816	1.2
285.16977	100.0
286.17331	1.7
301.14371	1.6
309.16977	22.2
325.11285	0.7
327.18094	2.5
351.18054	2.5
356.69757	0.6
363.18002	5.3
375.18051	3.3
393.18927	4.0
411.20383	3.6
420.97009	0.7
429.21268	10.6
489.53586	0.7
591.26227	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32938	1.6
53.03947	2.4
55.01862	3.0
55.05517	2.8
56.96568	2.3
58.38366	1.4
67.05502	6.2
69.03418	3.5
69.07068	3.8
70.06583	2.3
71.04973	2.2
71.39302	2.9
73.02930	2.2
79.05485	7.9
80.05009	5.0
81.03410	5.0
81.05800	2.0
81.07047	4.0
82.06590	3.8
83.04997	3.2
85.02911	5.2
86.09702	2.9
91.05473	9.8
92.04992	1.6
93.05790	2.3
93.07047	14.7
94.06567	15.8
95.04990	3.9
95.07331	12.6
95.08614	6.9
96.08139	32.4
97.02901	4.6
97.06524	7.8
98.97619	2.1
103.05499	4.2
104.68012	1.7
106.06583	4.2
107.08582	2.8
107.53400	1.6
108.04507	7.9
108.08126	24.0
109.06530	2.3
110.09690	51.6
111.04465	1.6
118.06544	2.3
120.04468	12.6
120.08113	34.5
121.06492	2.3
121.10105	2.8
122.06018	9.9
122.09665	11.3
134.06049	3.5
136.07597	19.9
138.09148	55.6
146.06078	3.0
148.07625	9.0
150.05492	6.6
152.07161	2.0
153.01816	3.4
160.07620	1.8
162.05560	3.0
163.03871	2.7
164.07077	10.9
166.08650	53.9
172.03978	1.7
176.07062	1.8
177.05566	1.7
184.07433	4.4
192.46634	1.7
197.07127	2.1
199.08867	1.8
204.06427	3.3
211.08746	4.3
213.10254	3.0
219.01888	1.6
223.08752	2.2
223.12341	3.3
224.09512	2.9
225.06720	3.7
225.10255	6.4
227.08192	1.9
227.11853	4.6
235.08627	2.5
236.09561	4.0
237.10281	7.3
238.11032	3.4
239.08191	5.9
239.11743	9.5
243.11148	2.0
249.10234	14.6
250.11053	6.4
251.08122	2.6
251.11813	20.4
252.12651	2.7
253.09647	8.2
253.13448	4.7
255.11292	4.2
255.15036	2.2
263.11877	6.1
265.09851	5.5
265.13345	2.6
267.07608	2.8
267.11423	4.8
269.12863	26.3
271.10953	2.2
271.14374	1.8
273.12698	2.4
273.16031	9.0
275.11804	2.0
279.11349	4.9
281.09515	2.3
281.13000	2.5
283.10843	5.6
285.12344	4.4
295.10843	3.7
297.09113	2.4
297.12167	8.1
298.13116	2.4
299.10104	2.5
299.14163	1.8
304.14734	2.0
309.08813	6.4
309.12256	2.9
311.10437	4.0
311.13913	3.3
312.14874	1.8
314.13443	2.2
314.16623	5.8
316.14487	3.6
318.12326	2.7
318.16092	2.5
323.10477	2.0
325.12057	4.0
326.16666	2.9
327.09909	7.8
327.13568	2.6
328.14453	3.6
329.11517	3.6
329.15552	2.2
330.12695	3.6
330.16101	3.2
332.14026	2.8
338.16791	1.9
340.14590	2.3
341.15356	2.0
342.12436	3.7
342.16107	2.7
343.13177	2.5
344.13953	6.6
344.17593	2.4
345.10889	2.2
345.14813	2.0
346.15610	4.4
355.09341	8.1
356.14151	4.5
357.14822	4.6
358.15503	5.4
359.16235	4.9
360.17044	3.1
361.14285	2.0
368.13934	1.9
369.10760	2.3
370.15677	2.4
371.16470	4.4
372.13156	2.6
372.17175	4.9
373.10153	3.2
373.14410	4.7
374.14902	2.9
374.19061	2.8
384.17087	6.0
385.14444	2.7
386.15091	7.2
387.11810	10.4
387.16095	5.9
388.16763	7.5
398.14883	2.5
400.16724	12.2
402.18527	3.8
406.17889	3.9
414.14594	2.3
416.16125	26.7
418.17789	8.3
419.15192	1.9
428.16040	11.6
430.17654	4.8
434.17200	31.5
436.18906	3.5
444.15466	2.3
446.17151	58.4
448.18930	4.2
452.18210	8.0
456.15674	5.6
462.16406	7.8
464.18207	12.3
466.12891	2.0
474.16617	6.8
480.17804	5.8
494.19382	6.2
506.19269	8.6
510.22699	1.9
512.20251	22.6
524.20331	5.7
535.23663	2.3
553.24640	2.6
579.85187	1.8
581.23956	15.1
583.25702	4.6
599.25031	52.8
609.23462	8.0
617.26160	17.8
627.24567	22.0
641.25830	6.7
645.25635	70.3
646.25867	2.1
659.27509	11.7
677.28174	100.0
678.28015	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	676.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01867	1.4
55.05515	4.1
57.03445	3.3
58.82907	0.5
60.38411	0.4
61.02925	8.3
62.36579	0.4
65.03946	0.5
67.05504	7.1
69.03438	3.7
69.07066	1.7
69.40482	3.1
70.06601	3.8
71.01351	0.5
71.04996	3.3
72.08141	0.7
73.02923	3.5
75.04474	0.4
79.05494	7.3
81.03422	78.4
81.07064	6.5
83.04988	3.5
83.08621	20.9
84.08145	1.4
85.02909	12.5
85.06577	0.7
86.09711	1.1
87.04472	0.6
91.03962	8.1
91.05485	9.9
93.07042	5.4
95.01319	0.5
95.04976	25.9
95.08607	1.8
97.02905	7.1
97.06535	1.6
97.09622	0.4
97.10178	1.6
98.21525	0.8
98.97567	0.8
99.04446	1.0
99.08110	0.6
103.03952	0.8
103.05504	0.5
105.07028	7.7
107.04953	7.1
107.08604	3.0
109.02891	1.2
109.06518	2.8
109.10185	1.4
111.04463	2.6
111.08089	10.6
115.03922	0.9
115.05447	1.0
117.07020	0.6
119.04993	1.2
119.08597	9.3
120.08107	0.6
121.02827	0.5
121.06519	2.5
121.07278	0.4
121.10147	4.6
123.04427	3.0
123.08097	1.2
125.09610	0.6
127.03939	3.0
129.05580	0.5
129.07022	6.9
131.08585	6.5
133.06505	2.9
133.10133	4.1
135.11710	0.7
136.07587	0.7
137.02399	0.6
137.06012	0.8
137.09581	1.0
138.09122	0.7
142.07767	1.7
145.04950	4.3
145.10126	1.1
147.04381	1.2
147.08099	3.0
147.11687	7.4
149.09634	4.9
151.11221	0.5
155.08382	0.6
157.10123	10.3
161.06021	1.0
162.09140	0.6
163.06013	6.2
163.11176	2.4
165.09064	0.6
165.12761	1.8
172.03928	0.8
175.11198	13.6
177.05498	0.6
180.10123	0.5
189.12711	1.3
193.12251	65.2
194.12718	0.6
204.06551	1.4
207.13786	0.6
211.13290	5.6
212.35225	0.4
217.12239	0.6
235.13304	3.8
239.11836	0.5
239.52122	0.5
249.15053	0.5
259.13293	1.9
267.15933	28.0
273.14813	1.1
285.16977	100.0
286.17343	1.0
287.05450	1.5
299.18686	0.7
301.14334	1.5
303.13165	0.5
306.35239	0.5
309.16974	14.8
311.10272	0.6
313.11789	0.9
319.15308	0.6
327.18018	4.2
333.58356	0.4
351.18076	2.6
361.02408	0.6
363.17996	6.2
373.14075	2.9
375.18307	2.1
393.19116	4.2
410.05661	0.5
411.20203	2.4
429.21350	2.3
462.16455	0.5
489.80402	0.5
595.18158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01870	2.4
55.05515	9.4
57.03450	7.9
57.07072	1.5
61.02931	18.6
65.03934	1.5
67.05176	2.2
67.05507	26.0
69.03419	6.0
69.07070	9.7
71.01334	1.5
71.04996	3.3
71.08646	1.8
73.02924	8.0
74.27576	1.1
79.05495	37.4
81.03416	6.3
81.07059	29.7
82.07374	1.2
83.04984	3.0
83.08615	6.6
85.02906	21.9
85.06559	4.4
91.03954	13.9
91.05482	33.7
93.07049	48.6
95.04978	4.2
95.08612	21.5
97.02913	11.5
97.06545	4.8
97.10182	1.2
98.76121	1.1
99.08074	1.6
99.33070	1.3
101.54706	1.3
105.07041	33.5
107.04964	2.3
107.08603	24.3
109.02876	2.1
109.06538	3.0
109.10165	10.3
116.06294	1.3
117.07020	11.0
119.08589	33.8
121.06473	1.5
121.10147	23.4
123.04442	1.2
123.08087	1.4
123.11724	3.7
127.03933	5.1
128.06252	1.8
129.05478	1.8
129.07018	7.2
131.04947	1.5
131.08577	16.6
133.06587	1.6
133.10144	25.0
135.08052	2.4
135.11696	20.3
137.09604	1.9
138.20290	1.2
143.08577	9.4
145.04973	5.6
145.10121	13.7
147.08028	1.5
147.11694	28.0
149.09627	3.0
149.13271	12.9
151.11160	1.2
155.08577	3.0
157.06522	1.4
157.08842	1.7
157.10124	10.0
159.11697	13.2
161.09656	2.0
161.13246	19.3
163.06047	5.5
163.11201	2.2
163.14874	4.6
169.10175	2.8
171.08058	2.4
171.11682	14.4
173.13272	9.7
175.11176	2.6
175.14841	10.3
177.12756	1.6
181.10071	2.0
183.11720	2.1
184.07344	1.8
185.13228	9.5
187.14833	2.1
189.12708	2.4
195.11778	1.5
197.13277	2.1
199.14815	5.6
202.35234	1.3
203.14412	1.4
203.28142	1.3
213.16365	2.2
217.19659	2.3
231.17506	2.2
231.21046	3.6
241.19530	20.3
242.97791	1.3
259.20584	49.8
267.16193	1.3
271.20508	2.3
273.22156	1.8
277.21722	7.0
287.05460	2.4
301.21591	2.2
313.21585	2.5
325.21860	2.0
333.24380	11.7
339.23273	1.5
343.22610	2.1
349.24146	2.1
351.25314	100.0
352.25793	2.5
361.23843	2.5
363.25296	4.4
367.22565	3.7
375.25198	4.8
385.23801	3.2
388.85315	1.3
393.26132	1.4
403.24857	1.9
417.26334	4.8
421.25742	1.4
429.26364	2.0
441.26270	9.0
459.27594	8.5
477.28418	7.6
495.29480	12.8
612.63898	1.3
657.34796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01862	0.4
55.05522	0.4
57.03446	0.4
65.03944	0.5
66.90445	0.3
67.05499	1.8
69.03425	0.6
69.07085	0.6
69.22033	0.3
70.06574	0.5
70.48047	0.9
71.04993	0.4
73.02928	0.3
77.03968	0.3
79.05482	1.6
80.05002	0.4
80.54701	0.3
81.03397	0.9
81.07044	0.9
83.04990	0.4
83.08597	0.4
85.02898	1.1
85.06534	0.5
85.25129	0.3
86.09662	0.4
91.05485	2.8
93.05783	0.6
93.07046	2.5
94.06561	1.5
94.25417	0.3
95.04974	1.0
95.08566	0.6
97.02884	0.8
97.06529	0.5
98.97590	0.3
105.07015	0.7
106.06526	0.6
107.04897	0.4
107.07354	0.5
107.08578	0.6
108.08125	14.6
109.02879	0.5
109.06540	0.4
109.10218	0.3
110.06040	0.7
116.04985	1.1
119.07339	0.4
119.08591	0.5
120.04450	0.4
120.08096	2.7
121.05183	0.4
121.10164	0.5
122.06033	10.4
122.09677	2.6
123.06834	0.4
124.07603	3.0
125.09686	0.3
126.05502	0.3
127.03934	0.4
131.08572	0.6
133.10130	0.4
134.06015	4.1
135.06815	0.7
135.11771	0.3
136.07582	26.4
137.08386	4.6
138.05513	2.3
138.09140	0.5
140.07069	1.6
144.04454	2.9
145.02867	0.3
146.05997	1.1
146.14035	0.3
147.11714	0.3
148.07521	0.5
150.05498	5.2
150.09152	3.4
152.07155	0.3
153.01852	0.6
154.05043	0.6
159.11729	0.3
160.03926	0.3
162.05504	17.2
163.03906	0.4
164.07092	2.8
164.10736	1.9
166.08652	4.2
172.03944	16.1
173.02467	0.3
174.05493	0.4
176.07077	0.3
178.08621	1.2
180.06554	0.5
184.07294	0.4
184.08102	0.5
184.09698	6.2
190.04939	2.0
192.10022	0.3
193.12259	0.4
196.09695	100.0
197.10074	1.1
204.06563	31.6
211.13380	0.3
217.13460	0.4
222.07870	0.5
227.08214	0.4
229.04861	0.4
235.08594	0.4
239.08243	0.4
251.11888	0.7
252.10205	0.4
253.09729	0.8
253.13339	0.9
257.12860	0.7
269.12744	0.8
271.14435	1.3
279.11295	1.1
281.09314	1.1
281.12805	8.6
281.15881	0.6
283.11215	0.4
283.14523	0.9
285.12622	0.3
287.13751	0.5
295.10864	0.5
297.12241	0.5
299.13937	1.1
301.11707	0.4
303.05029	1.8
307.10730	4.4
313.11945	0.5
313.15414	5.8
321.14340	0.5
323.13931	2.9
325.11685	0.4
327.09802	0.5
339.09518	0.5
339.13434	5.2
341.14993	0.7
343.12866	0.7
345.14828	0.4
355.12939	0.5
355.16644	4.0
357.14322	0.5
373.13766	0.4
383.16217	0.7
430.17618	5.2
436.22226	0.4
442.17468	0.9
448.18649	5.0
460.18707	4.4
462.20215	3.4
464.21655	0.8
474.20154	1.1
478.19672	0.4
480.21396	2.2
490.20184	0.5
492.21304	1.6
495.16547	0.9
506.16385	0.5
506.23050	4.5
513.17651	0.7
523.51868	0.3
538.25916	1.5
601.27979	0.4
611.24921	0.6
625.26624	1.4
643.27740	8.4
644.28149	0.3
657.27814	1.0
675.30817	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06516	0.3
52.01927	0.3
53.81998	0.2
54.68311	0.3
55.01878	0.3
55.93853	0.3
65.03947	0.4
69.03416	0.3
70.06574	0.9
79.05508	0.5
81.03419	0.5
81.07039	0.5
84.08158	0.5
85.02917	0.7
86.09704	0.7
86.14742	0.3
88.11932	0.3
89.03917	0.9
91.05528	0.6
93.07029	0.3
94.06557	0.8
95.04938	0.3
96.08122	0.7
97.02905	0.4
97.06541	0.5
98.97578	0.6
100.11248	0.5
108.07433	0.5
108.08118	6.0
110.09671	1.1
116.05003	2.9
116.98571	0.4
119.08636	0.3
120.08125	1.7
122.06047	2.0
124.07597	1.0
134.06056	0.4
134.09656	0.5
136.07591	1.7
138.09142	4.6
144.04454	8.0
145.05197	0.4
146.06020	1.7
150.05530	0.9
150.09126	1.2
152.07068	0.9
162.05516	4.0
162.09132	0.4
164.07103	1.7
165.12723	0.4
166.08612	0.8
172.03940	46.6
173.04422	0.4
174.05486	0.5
180.10191	3.9
184.07539	0.3
190.04976	1.5
192.06657	0.3
198.09198	0.3
200.07024	0.8
204.06570	100.0
205.06888	1.1
206.08139	2.6
209.15341	0.3
213.10266	0.3
217.09724	0.6
219.01535	0.3
225.10208	0.3
227.11801	0.8
229.09723	0.3
237.02878	0.5
239.11766	0.3
240.08922	0.4
241.09732	1.1
243.11259	1.1
245.09239	2.7
246.07634	1.1
249.10272	1.2
251.11758	0.5
255.11310	2.0
257.09232	1.4
257.12839	0.5
259.10730	0.7
265.09714	0.7
267.11163	0.7
269.09277	3.4
269.12238	0.6
277.11893	0.5
279.11337	1.9
283.10709	0.8
284.11722	0.5
285.09247	0.5
285.12283	2.4
287.10291	1.7
287.13885	0.8
295.10828	0.8
296.11459	0.4
297.12387	3.7
301.11908	1.2
303.09772	0.8
303.13068	0.3
305.11337	3.4
311.10229	4.3
311.13913	1.3
323.10312	2.0
324.10577	0.4
329.11249	0.9
329.14978	1.3
339.13379	3.5
341.11322	0.6
353.15103	1.3
355.12918	1.4
357.14709	0.6
359.23343	0.9
359.73184	0.3
371.16049	24.4
372.16562	0.6
373.13770	0.6
383.12491	3.3
386.15070	0.3
395.63620	0.3
399.15634	1.0
406.88913	0.3
448.18500	0.4
476.18616	0.3
508.20801	1.9
581.24078	0.6
583.22052	0.6
589.16394	0.4
607.21576	1.2
625.22797	2.0
643.23505	1.1
657.25079	1.0
675.15979	0.4
675.26453	1.0
675.47961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	0.4
69.05371	0.2
69.72943	0.4
69.73344	0.9
98.21436	0.3
145.08366	0.3
179.14552	0.2
235.83206	0.3
439.13754	0.3
444.92026	0.2
445.18915	0.4
453.15912	0.4
454.16669	0.9
455.13135	0.7
456.14011	0.3
457.14899	0.3
467.13022	0.6
467.17374	0.7
468.13916	2.3
469.14795	7.2
470.15756	1.5
471.16718	0.9
472.17776	0.4
479.17007	0.3
480.14481	0.6
481.14597	1.9
482.15933	10.5
483.16635	8.8
484.17618	1.7
485.18063	0.7
495.16931	2.4
496.17496	5.4
497.18259	37.3
498.19037	3.6
499.19696	0.8
500.17084	0.2
510.19424	1.8
511.12482	0.4
511.19797	5.3
512.20850	1.1
513.17773	0.3
515.19629	1.3
523.17218	0.4
527.16266	0.3
528.16345	1.7
529.16663	0.4
538.20660	0.7
539.20190	0.3
541.16821	1.1
542.17999	1.7
543.19104	0.3
555.18652	2.8
556.19519	3.5
557.20392	3.2
569.20380	0.7
571.22333	0.5
573.23401	0.4
583.21869	0.3
616.21808	1.8
617.21722	0.3
625.23682	0.3
629.22656	0.7
630.23285	0.4
643.23969	7.1
644.24841	6.9
645.23016	1.1
657.25586	6.1
658.26538	0.4
660.24121	0.8
675.26624	100.0
676.26685	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	674.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79388	0.2
55.05499	0.7
56.05035	0.8
57.07082	0.3
58.06599	0.4
60.08171	5.9
67.05517	1.3
69.07067	0.4
71.07384	2.8
79.05508	0.5
81.07040	0.7
83.04977	1.0
86.09711	29.8
91.05463	0.3
93.07036	0.5
95.08612	0.8
98.98466	2.7
104.10767	1.7
107.04964	0.3
107.08571	0.4
109.10129	0.6
111.04422	0.6
125.00014	19.5
143.92714	0.2
161.20119	0.2
166.02614	0.3
173.88455	0.2
184.07350	100.0
185.07684	0.4
261.22098	0.2
335.26004	0.3
378.47974	0.3
447.73022	0.2
674.43878	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	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71696	0.6
59.84323	0.6
67.05507	1.9
70.06569	1.7
71.04993	1.1
71.53895	0.6
75.60255	0.6
79.05480	1.5
81.03379	0.7
81.07071	0.9
89.03925	1.1
90.65487	0.6
91.05470	2.2
93.05791	0.9
93.07042	0.7
94.06573	3.5
96.08130	2.0
97.06525	0.7
98.97594	1.3
106.06593	1.2
107.07304	0.8
108.08127	10.3
110.09690	1.3
116.04972	3.4
116.98663	0.6
117.05710	0.7
118.06554	1.0
120.04453	0.7
120.08093	4.1
122.06048	7.0
124.07589	8.0
132.04430	0.9
132.08061	0.8
134.05983	1.1
136.07581	7.5
138.09149	10.9
144.04453	8.9
146.06029	11.0
148.07613	1.6
150.05508	6.0
150.09154	4.4
152.07072	5.0
160.03952	2.2
160.07602	0.9
162.05463	3.5
164.07079	9.6
166.08630	1.1
172.03943	48.0
172.07526	1.4
173.04181	0.8
174.05515	2.7
175.08702	1.7
176.07208	0.7
178.08623	1.1
180.10219	5.1
182.08151	0.9
186.09238	0.7
189.10197	1.4
190.04997	5.1
192.06583	1.3
196.07600	2.3
198.09256	3.2
199.12344	1.2
200.07048	2.9
204.06572	100.0
205.06825	1.0
206.08112	4.9
210.09210	1.5
211.12411	0.7
212.07111	2.1
212.09334	1.6
213.10223	2.5
214.08705	1.5
215.08231	0.7
215.11891	0.7
217.09682	6.8
219.01840	0.8
222.07799	1.1
223.08737	1.2
224.07109	1.0
227.08266	0.8
227.11852	3.8
236.09499	1.2
237.10214	1.3
238.08554	0.8
239.08142	1.1
240.08882	2.2
241.09708	8.0
243.07652	1.5
243.11333	10.0
245.09209	7.8
249.10240	0.9
251.08257	0.9
251.11803	2.1
255.11288	20.5
257.09058	1.6
257.12799	1.7
259.10815	6.3
261.08539	0.9
264.09015	1.6
267.11166	1.8
269.09219	30.0
269.12274	1.0
271.14465	1.6
277.11932	6.4
279.11221	2.6
281.09305	1.2
283.10794	6.4
285.09100	1.2
285.12332	13.7
287.10306	6.4
287.13409	1.1
295.07480	1.1
295.10678	4.4
296.11496	1.1
297.12366	24.3
298.12485	0.9
301.11829	9.1
303.09827	2.9
303.12964	0.8
305.11426	6.1
311.10287	40.4
311.13705	2.4
313.11407	0.6
315.09784	0.8
315.13419	1.3
321.11795	0.8
323.10309	12.4
327.09885	1.0
329.11276	7.4
329.15002	8.2
331.16455	1.3
339.09625	0.9
339.13391	13.3
341.11398	3.3
355.12872	8.2
355.16776	1.0
357.14581	1.5
365.08685	0.9
367.13062	0.7
371.16046	25.1
372.16272	0.9
373.13721	3.5
373.18069	0.9
391.15027	0.9
394.18066	0.8
399.15472	6.3
409.15363	2.1
448.18573	3.1
464.18149	0.9
466.19873	1.6
482.19174	2.3
508.20633	1.3
526.22015	2.2
552.43530	0.7
556.19818	0.7
581.24200	3.2
607.21948	9.6
625.22961	9.0
643.23431	3.1
657.25818	6.1
675.26416	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	673.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
55.05502	6.5
56.96563	3.9
57.03429	9.3
67.05521	11.6
69.03413	8.4
69.07060	5.5
71.04988	27.4
71.54867	3.1
79.05515	12.3
81.03407	5.5
81.07058	12.8
83.04977	7.0
85.02906	34.5
91.05485	17.3
93.03403	2.7
93.07027	9.3
95.04957	4.4
95.08611	7.8
99.04495	2.9
105.07008	10.9
107.08582	5.3
109.10187	4.2
112.64997	2.9
115.05344	2.8
119.08589	9.6
121.02821	5.1
121.06503	2.5
121.10083	2.5
129.05460	5.3
129.06963	5.4
131.08551	5.9
133.10109	8.3
137.02310	4.7
145.10165	3.0
147.11719	5.3
149.02339	2.7
153.01820	14.6
153.12700	2.9
157.10100	3.1
159.11617	4.0
165.01831	6.8
175.03949	2.9
177.12787	3.0
193.12245	2.9
201.09258	2.6
217.04933	6.1
229.04994	4.1
245.04373	9.0
257.04520	4.3
273.03976	11.0
274.04715	4.8
285.03879	2.6
287.05444	4.1
299.05637	6.3
301.03427	20.0
302.04245	22.0
303.05017	25.9
308.19806	2.6
313.03360	9.4
315.04962	15.1
316.05634	3.6
327.04968	9.6
339.05087	14.3
345.06204	2.6
353.06488	21.8
365.06537	7.1
379.08109	3.4
395.07520	7.2
407.07578	2.8
407.29794	2.6
449.15509	3.0
451.14130	3.2
477.15454	30.2
495.16354	13.2
508.21106	3.3
509.18146	100.0
510.18491	4.6
513.56195	2.8
519.16510	6.5
527.19128	51.9
533.18280	5.9
537.17401	4.0
544.19177	2.9
551.19220	11.9
569.19818	10.8
575.19110	4.4
605.19720	3.1
619.21423	4.9
637.22723	5.9
655.23419	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	673.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.4
55.01856	11.6
55.05523	23.6
56.79762	4.6
57.03426	22.4
58.60936	4.7
59.04993	5.1
61.02920	17.2
65.03930	6.8
67.05511	66.1
67.05846	8.8
68.77705	4.8
69.03442	32.7
69.07069	26.5
70.54646	5.7
71.04994	49.7
73.02904	10.5
79.05499	42.1
81.03429	43.4
81.07057	60.0
83.04987	23.0
83.08605	12.5
85.02911	73.0
86.06037	5.7
86.09718	7.0
86.79082	4.1
91.03927	6.9
91.05489	46.1
93.07046	35.6
95.04971	17.8
95.08596	28.0
97.02898	18.4
97.06526	18.6
97.10163	5.2
99.04475	8.9
99.08104	6.0
105.07060	26.4
107.04956	12.4
107.08601	20.3
109.02847	10.6
109.06546	7.7
109.10138	23.9
111.04436	6.2
116.10735	10.5
117.07010	12.4
119.08583	22.6
121.10160	17.9
123.08070	6.9
123.11754	5.3
125.00089	6.0
125.09653	5.2
127.03909	16.9
129.05493	12.0
129.06985	9.7
131.08562	17.6
133.06490	6.3
133.10124	24.0
134.03635	4.5
135.08051	7.2
135.11636	5.9
138.08453	4.8
139.03886	8.1
145.04924	6.2
145.06487	6.1
145.10136	9.5
147.04390	9.9
147.11682	8.1
149.09605	5.8
151.03951	4.6
153.01775	29.7
157.10072	6.9
159.11720	9.1
163.03934	12.2
163.11241	10.1
165.01816	11.4
167.03426	7.2
169.06425	4.9
171.04593	8.1
171.11755	5.3
173.04509	5.7
173.11781	5.1
173.13252	7.6
175.03969	8.3
177.01817	8.5
177.05428	8.2
179.03435	5.0
184.07240	6.0
187.03963	13.0
189.01840	6.8
189.05530	6.8
195.02846	12.1
195.13826	5.3
196.21219	4.5
199.03951	8.1
213.05412	11.0
214.18007	10.3
229.14116	5.8
231.06593	5.4
237.05463	7.4
245.04431	6.3
257.18958	7.8
269.04556	5.9
269.17438	10.3
275.20023	23.0
305.08066	5.5
311.05527	14.3
315.04974	16.1
323.05457	7.4
325.06949	9.2
326.23224	6.2
327.05099	8.2
327.23676	8.3
329.06467	10.4
339.05017	62.3
341.06659	5.8
349.23727	30.1
352.06012	8.7
353.06644	26.8
357.06122	9.2
361.07324	5.6
363.04984	12.8
365.06415	11.7
365.22635	8.2
369.06000	6.5
379.08136	10.3
381.06076	13.9
389.06378	6.4
393.09900	10.0
395.07117	5.9
399.07355	6.0
413.21796	7.9
421.09137	8.9
449.15961	7.8
459.13889	6.4
473.15955	11.2
477.15524	88.0
479.16730	6.3
495.16632	47.3
501.15533	43.1
509.18127	100.0
511.28979	10.3
519.16559	55.3
526.63025	5.8
527.19177	65.1
533.17908	34.6
537.17688	39.4
539.19342	14.0
543.16425	8.4
551.19226	69.9
561.17377	9.7
569.20081	50.8
575.19086	9.9
575.28442	9.4
587.18689	13.8
593.19775	8.8
605.20459	9.2
619.21588	12.2
623.20764	9.7
637.22992	13.3
655.23560	16.5
673.33667	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	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
55.05511	4.2
57.03444	3.3
57.07080	32.0
58.88293	0.3
61.02932	10.0
62.05968	0.3
67.05507	8.2
67.33582	0.3
68.27768	0.3
69.03427	1.3
69.07073	5.9
69.82594	0.6
69.82943	1.8
71.04970	0.4
71.08636	25.4
73.02924	3.1
75.04492	1.8
79.05502	0.6
81.03419	0.7
81.06596	0.7
81.07060	13.0
83.04975	0.8
83.08624	9.4
85.02911	12.4
85.06562	0.5
85.10185	15.3
89.06027	1.4
91.03423	0.7
91.03963	10.1
91.05492	0.7
93.07032	0.9
95.08613	20.5
97.02283	0.6
97.02900	6.8
97.10175	5.3
99.04453	0.9
99.11723	0.9
101.05977	0.4
103.07539	0.5
109.02862	0.6
109.10168	9.7
111.11721	1.4
113.13296	0.4
115.03903	0.4
117.09166	0.4
117.81642	0.3
121.10157	0.4
123.11707	3.9
125.13271	0.5
125.21677	0.4
126.89214	0.3
127.03931	4.5
136.30304	0.3
137.13254	2.1
138.05644	0.3
139.14841	0.7
145.04971	5.7
151.14787	0.8
163.06030	10.3
165.16362	0.8
180.08754	0.4
214.36415	0.3
221.22629	1.3
239.23706	20.4
257.24786	3.9
313.27374	100.0
314.27710	1.5
325.63403	0.4
331.28436	36.8
332.28900	0.4
401.28922	0.5
457.31616	0.5
475.32666	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	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.4
57.03434	4.5
57.07080	32.4
61.02932	15.2
65.28046	0.5
67.05505	9.5
69.03421	1.8
69.06785	0.6
69.07077	6.4
69.18929	6.0
69.19737	0.6
71.04990	1.4
71.08634	29.3
73.02921	4.6
75.04475	2.6
79.05499	1.8
81.03417	1.7
81.07063	16.6
83.04984	0.6
83.08620	11.7
85.02909	17.3
85.06555	1.0
85.10187	16.5
87.94788	0.5
89.06026	0.8
91.03963	13.1
91.05476	2.0
93.07051	2.1
93.47818	0.6
95.04956	1.4
95.08613	24.5
97.02898	8.0
97.10166	5.2
98.21523	1.2
99.04486	1.4
99.11743	1.3
103.07545	0.6
105.07048	1.0
107.08576	1.3
109.02892	1.0
109.10176	10.9
111.11729	1.4
115.03924	0.9
119.08575	0.7
121.06446	0.8
121.10178	0.9
123.11704	5.4
127.03931	5.6
135.11731	0.6
137.13268	2.3
139.14845	0.8
145.04970	7.8
151.14865	1.1
154.94063	0.7
163.06020	11.9
165.16388	0.8
184.07379	1.1
221.22595	1.4
239.23709	20.1
240.24132	0.7
257.24683	4.1
274.15021	0.8
284.19180	0.6
313.27380	100.0
314.27878	1.8
331.28436	50.9
336.15726	1.0
397.43320	0.6
408.79800	0.7
636.39136	0.9
640.27985	1.4
672.30957	0.8
672.41962	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	671.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52371	1.2
53.03939	4.1
53.28526	1.2
55.01860	5.8
55.05512	25.3
56.96554	1.8
57.03442	7.3
59.05001	1.4
61.02933	3.0
65.03939	1.9
67.05186	2.6
67.05508	32.7
69.03419	9.9
69.07071	8.0
70.06571	1.4
71.05001	7.2
71.15528	1.4
71.53743	1.8
73.02919	1.7
79.05500	34.6
81.03419	25.4
81.07063	29.6
83.04987	9.7
83.08620	16.2
85.02908	8.3
85.06507	2.2
87.04485	1.9
87.12341	1.4
88.08263	1.3
91.03954	2.5
91.04961	2.3
91.05484	21.6
93.06496	1.8
93.07048	20.9
95.04984	21.0
95.08624	11.4
97.02919	8.4
97.06557	8.0
97.10165	25.2
98.97597	2.0
105.07049	15.6
107.04967	19.4
107.08582	19.3
109.02851	3.7
109.06539	8.8
109.10153	12.4
111.04439	3.1
111.08080	3.8
113.05965	2.3
117.07039	9.3
117.15342	1.4
119.08590	10.7
121.06522	15.1
121.10151	8.2
123.04453	1.8
123.08022	4.1
123.11742	3.0
125.09646	20.8
127.03956	2.4
128.06262	2.5
129.06992	6.1
131.04901	2.3
131.08556	8.9
133.06496	5.2
133.10164	7.3
135.08063	6.8
135.11705	4.7
137.05934	2.6
137.09610	2.2
141.06966	2.2
143.08566	4.7
145.06465	11.4
145.10121	7.6
147.04417	3.3
147.08095	6.5
147.11691	5.1
149.09602	5.4
153.09142	4.0
153.12755	2.7
155.08560	4.1
157.06467	3.0
157.10114	3.8
159.08055	3.8
159.11714	2.1
161.05968	2.3
161.09639	3.7
163.03850	2.9
163.11163	4.8
165.09125	10.0
165.12756	2.7
167.08502	1.4
169.10110	2.1
171.08051	2.1
171.11647	1.9
173.04547	1.4
173.09607	3.0
173.13272	1.7
175.11174	5.1
177.12682	1.5
183.08212	1.7
184.07300	2.8
185.09572	2.6
185.13458	1.6
187.11201	2.8
187.14763	3.1
189.11311	7.7
189.12723	2.7
193.12288	9.0
195.11600	2.0
197.13229	1.7
199.11179	3.1
199.13213	1.6
201.12726	2.2
205.12250	2.0
211.11272	1.8
211.13194	2.2
213.12746	2.1
215.14302	4.4
217.12167	2.5
219.13805	3.4
227.12711	4.5
227.14587	1.9
229.14226	2.3
231.13962	1.7
233.15308	4.6
237.12724	2.7
241.14400	1.9
255.13826	1.9
267.09033	8.9
267.15918	12.0
271.16873	2.3
273.14688	8.0
283.15482	2.4
285.10077	5.6
293.17383	1.9
299.58118	1.6
331.15994	1.4
339.23160	3.9
349.21527	4.5
355.15594	3.4
357.24115	2.6
364.16339	4.6
367.22705	24.5
385.23746	39.3
389.18384	2.0
403.24789	11.4
405.24353	1.8
423.25031	2.5
429.21243	2.0
441.26434	8.8
459.27448	100.0
460.27847	3.5
477.28494	83.3
485.16443	2.2
491.30017	10.7
509.31070	2.7
671.32190	1.6
677.27179	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01867	1.0
55.05510	24.8
57.03439	9.7
57.07076	14.2
58.44370	0.9
61.02927	28.4
67.05505	35.3
69.03415	3.7
69.07068	44.9
69.34047	8.4
71.04973	3.5
71.08352	0.8
71.08638	8.4
73.02915	8.9
75.04459	1.3
75.83636	0.9
79.05493	14.9
81.03411	2.4
81.07056	51.5
83.08620	37.7
85.02908	30.2
85.06511	2.2
85.10182	3.7
91.03954	26.3
91.05444	2.2
93.07047	23.3
95.08607	37.4
95.74529	1.0
97.02885	15.2
97.06525	11.1
97.10172	24.5
98.20828	2.1
99.04449	2.1
99.08092	2.6
101.06017	1.0
105.07001	1.3
107.08595	16.7
109.02876	1.0
109.10150	15.7
111.08070	7.3
111.11726	7.1
113.09663	1.7
114.46151	0.8
115.11237	1.4
121.10145	45.6
123.11705	15.3
125.09653	4.3
125.13268	1.2
127.03938	9.5
127.11246	1.2
135.11693	34.2
137.13251	11.6
139.11150	3.3
141.12685	1.2
145.04961	13.7
149.13268	14.6
151.14781	2.0
153.12717	2.5
163.06027	24.3
163.14813	6.5
167.14253	1.6
171.13791	1.1
177.16356	2.5
185.15352	1.0
219.21089	41.8
237.22128	100.0
238.22350	1.3
255.23187	25.6
300.12894	1.0
311.25797	99.7
312.26093	1.4
329.26865	84.3
445.76782	1.0
473.31171	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	666.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53589	0.9
51.02376	1.4
53.03950	5.3
55.01865	3.4
55.05511	14.2
57.03440	1.9
57.07061	3.6
61.02919	2.1
63.67456	1.1
65.03934	2.0
65.48028	1.0
67.05510	33.8
69.03436	6.7
69.07071	22.7
70.06588	3.7
71.05002	2.8
71.08624	1.9
71.52809	1.0
73.02909	2.1
77.03893	1.0
79.05496	14.5
80.25121	1.1
81.03423	3.9
81.07063	64.3
81.42825	0.9
83.04977	5.4
83.08625	8.6
84.08142	2.6
84.64125	0.9
85.02914	14.7
85.03394	1.8
85.06548	8.6
86.06073	3.1
86.09698	1.5
87.00816	6.2
91.05488	26.3
93.07050	94.6
95.04973	5.9
95.08615	67.0
97.02909	7.5
97.06530	3.3
97.10173	5.3
97.99576	1.2
98.09682	1.6
99.04436	3.0
99.08105	1.3
100.11246	1.2
101.06054	1.6
103.05456	1.2
104.07082	1.5
105.01865	9.6
105.04496	1.7
105.07040	65.2
107.05003	1.3
107.08599	63.2
109.02892	6.0
109.06533	2.7
109.10165	96.9
109.65640	1.0
110.10500	1.5
111.04437	4.1
111.08089	14.9
111.11679	1.9
116.10738	4.9
117.06998	3.5
119.08591	58.2
121.10155	48.6
121.11049	2.4
123.11719	18.6
125.09627	4.5
127.03942	10.9
131.08546	2.1
133.10144	36.5
135.08104	1.4
135.11702	56.2
137.05963	2.6
137.09572	1.6
139.11180	3.1
142.63258	1.1
145.04968	5.8
145.10141	4.6
147.04439	2.1
147.11699	77.8
148.12180	1.1
149.13252	3.3
151.11134	1.5
159.11674	2.5
161.13258	24.8
163.03888	1.6
163.11223	2.6
163.14810	4.8
165.12735	6.2
167.07056	12.5
168.07414	4.2
173.06018	2.0
173.13297	1.3
174.06317	1.2
175.14832	10.7
177.16380	2.3
181.05000	2.7
182.05365	1.6
182.15428	2.2
184.07411	1.1
196.16965	1.7
203.17972	100.0
214.18037	18.2
215.18008	1.3
221.18988	13.4
226.14374	2.3
231.04987	4.8
249.06059	6.4
259.09619	1.5
382.08975	1.4
388.19522	1.3
417.15271	3.6
418.15836	8.8
418.31128	1.2
474.22040	1.3
486.27057	2.4
666.20203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01866	0.7
55.05492	0.3
57.03424	0.7
65.03934	1.3
67.05493	0.6
68.99751	0.3
69.03428	3.5
70.06572	0.8
70.66530	0.2
71.04980	0.5
71.52349	0.3
71.52769	0.4
71.60585	0.2
72.08139	0.4
73.02899	0.7
78.04703	1.6
78.38511	0.3
79.05474	1.2
81.03416	3.1
81.07037	0.4
82.04195	0.5
83.49814	0.3
85.02914	4.1
86.09711	0.4
87.00812	0.9
91.05460	1.1
93.03381	0.5
93.07038	0.6
95.04942	1.1
97.02914	1.8
97.06528	0.3
98.97598	0.3
99.04438	0.7
103.03966	0.3
103.05470	1.0
105.01860	0.4
105.07027	0.4
106.04169	1.0
107.04958	2.0
109.02890	1.7
109.06518	0.5
110.03658	0.3
111.04426	0.4
115.03972	0.3
115.05448	3.3
117.07027	5.6
119.08560	0.4
120.08061	0.4
121.02847	0.3
123.04432	5.7
124.05209	2.0
125.06014	0.6
127.03929	2.4
127.05418	0.8
129.07027	0.4
130.03992	0.3
131.04962	0.5
133.06477	0.4
133.10065	0.3
134.03589	0.4
135.04440	0.5
137.05978	1.1
138.03090	0.4
142.02644	0.5
143.04913	0.3
144.05669	0.4
145.06493	8.4
147.08034	1.0
151.03897	1.1
152.04655	1.3
153.05458	0.5
155.04869	0.4
155.06049	3.8
159.02837	0.3
161.05911	0.4
165.05589	0.3
165.12788	0.5
167.07040	100.0
168.07321	0.6
171.06548	1.1
173.05991	18.1
175.07533	0.9
181.04958	24.7
185.05841	0.3
187.06035	0.6
187.07535	0.4
190.06122	0.4
191.07074	0.3
191.14311	0.5
193.08521	0.4
195.06525	0.5
201.05493	0.9
203.07039	0.6
205.08615	4.4
207.06471	0.5
209.15378	1.8
217.08614	0.9
231.10349	0.6
233.08096	5.0
235.09651	3.5
243.93784	0.3
245.08179	0.9
247.09747	0.4
259.09766	0.7
263.09204	0.9
275.09012	0.6
277.10809	0.6
305.10138	0.5
311.12863	0.3
316.63141	0.3
337.10660	0.3
339.12021	0.3
351.12177	0.3
356.12927	0.3
367.11688	1.2
369.13208	1.5
381.13205	0.5
383.14926	1.0
387.14423	9.1
395.14838	0.9
399.14481	2.7
407.13321	0.5
411.14246	0.8
417.15460	19.4
423.14224	0.8
441.15475	1.1
457.89813	0.3
459.16406	1.2
503.23663	0.3
573.19440	0.3
579.20721	0.7
621.21783	1.7
665.20660	29.7
666.20862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80501	1.0
52.68615	0.9
57.07079	50.5
62.35126	1.0
67.97216	0.9
70.84146	1.4
70.84469	1.4
87.04470	3.0
91.05478	5.7
105.07034	2.2
119.01105	1.0
119.08542	1.3
124.09962	1.0
147.11642	5.9
153.07001	2.4
172.89470	0.9
174.85023	1.0
180.64064	1.0
221.43886	1.0
229.10204	1.5
229.50859	1.2
232.27641	1.0
233.03673	3.7
251.04691	14.5
307.11066	1.7
310.72684	1.2
324.15778	1.0
327.07794	100.0
383.14069	66.5
439.20358	65.9
478.78741	1.0
495.26639	61.4
551.32861	85.2
607.39069	68.4
608.39380	1.5
642.16235	1.1
663.34198	1.1
663.45325	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	662.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
63.34049	0.2
67.05499	0.7
67.68891	0.2
69.03446	0.2
69.07071	0.3
70.10683	0.2
71.53969	0.3
79.05503	0.7
81.07049	0.7
86.09700	0.2
91.05480	0.5
93.07043	0.7
95.04982	0.2
95.08604	0.3
98.98462	3.5
105.07047	0.6
107.08605	0.5
109.10160	0.2
117.07029	0.7
118.06525	1.1
119.07330	0.6
119.08545	0.4
121.10134	0.3
123.08059	0.2
125.00008	12.3
130.06538	0.3
132.08124	0.3
133.10187	0.3
134.09659	12.2
144.08083	6.1
145.08890	3.9
158.09734	0.2
159.11684	0.2
160.11223	82.6
161.11578	0.7
178.12285	5.6
179.11363	0.2
211.47125	0.2
258.08911	100.0
259.09241	0.6
309.04990	0.2
336.26007	0.6
389.66879	0.2
441.81558	0.2
644.36743	1.2
662.38153	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	662.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01872	1.6
55.05503	4.1
57.03444	2.0
61.02927	2.6
62.06049	1.1
67.05504	6.0
69.03436	7.6
69.07072	4.3
70.06607	1.8
70.47739	2.7
71.04996	4.6
71.08360	0.8
71.08642	8.6
72.08154	2.4
73.02916	2.7
79.23883	0.9
81.03418	8.3
81.07056	5.4
83.04987	1.5
83.08619	1.1
84.08152	2.6
85.02915	10.1
85.06561	1.1
86.06073	29.5
86.09698	2.2
87.00846	2.7
87.61230	0.9
91.03951	1.3
91.05496	9.2
93.07053	5.3
93.86147	0.8
95.04948	1.3
95.08624	12.0
96.08133	5.6
97.02917	4.0
97.06544	3.1
98.06062	1.4
98.09706	11.9
98.97604	1.2
99.04477	3.3
99.08109	6.4
100.07632	3.2
101.02363	1.2
105.07042	3.4
107.08598	1.5
108.08131	3.2
109.02889	7.3
109.10170	4.7
111.04427	1.2
116.10742	70.6
119.08591	14.3
120.08054	1.3
122.09676	3.2
123.08053	1.3
124.07618	2.9
127.03912	11.6
128.41592	1.1
129.01720	1.0
131.08546	1.4
137.09636	8.7
140.10703	1.5
142.08656	6.5
142.12296	1.3
143.10686	3.2
145.04980	2.0
147.08047	4.1
152.10663	1.5
159.02905	1.4
163.04019	1.6
164.10686	1.1
165.09132	2.2
173.13252	1.0
178.16261	1.1
184.07349	4.4
196.16893	2.6
213.03943	1.3
214.18016	9.7
215.26001	0.9
220.16862	1.1
227.12773	1.6
229.07611	1.5
229.14369	1.0
231.05014	2.3
236.20200	1.4
238.17995	1.9
242.17526	3.5
245.13800	1.6
254.21124	8.6
256.19101	4.4
267.08835	1.5
280.19122	10.9
298.20105	9.6
316.21213	100.0
317.21625	1.1
347.13187	2.5
373.14142	1.4
374.14267	1.4
396.27393	3.0
414.28537	39.8
462.23404	1.9
478.26865	2.3
520.27533	3.4
546.25726	1.9
551.34180	1.1
564.26556	52.9
618.34735	2.0
635.33673	1.1
662.34064	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	662.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01871	1.3
55.05503	2.2
56.96559	1.5
57.03427	2.1
58.47330	0.7
61.02927	1.8
62.06089	1.7
67.05514	4.0
69.03439	7.2
69.07065	2.9
70.06588	2.2
71.04989	2.2
71.08638	7.2
71.53050	0.6
71.53571	0.9
72.08154	2.2
73.02895	1.8
78.78196	0.7
79.05491	3.1
81.03423	7.5
81.07067	4.4
83.04964	1.8
83.08582	0.9
84.04514	0.9
84.08146	2.2
85.02909	9.2
85.22081	0.6
86.06071	15.8
86.09702	1.0
87.00829	2.0
87.04478	1.0
91.05508	5.2
93.07059	5.0
94.06565	1.0
95.08613	8.0
96.08107	4.0
97.02888	4.4
97.06538	2.4
98.06081	1.1
98.09691	5.6
99.04464	2.4
99.08092	5.2
100.07618	2.3
105.07008	1.3
107.08591	0.8
108.08134	3.6
109.02891	5.9
109.10171	2.8
110.09702	1.1
113.08377	1.1
115.65536	0.7
116.10739	44.4
119.08589	8.4
120.08118	0.7
121.10142	1.2
122.09625	3.3
123.08054	1.4
124.07576	1.8
127.03910	8.7
129.01846	0.8
131.08568	0.8
133.10115	0.8
137.09636	5.8
140.10716	2.1
142.08594	2.0
143.10669	2.6
145.04959	1.6
147.08073	1.0
150.05515	1.4
154.15891	3.1
165.09027	0.9
166.15930	2.6
168.17470	1.4
178.15900	2.1
183.10156	1.1
184.07326	3.6
185.11778	1.0
196.16974	7.8
201.11235	2.3
213.03940	1.1
214.18030	100.0
215.18216	0.8
231.05128	1.0
238.17999	0.9
242.17529	2.4
245.13835	1.1
254.21176	3.0
256.19250	1.7
263.11902	0.9
280.18994	4.9
285.10104	1.4
285.13123	0.8
298.20172	3.4
316.21201	38.2
367.12814	1.0
396.27374	2.0
414.28510	25.6
418.24246	2.0
462.23386	30.5
476.21991	0.9
477.22052	3.3
495.18649	1.1
511.19821	0.8
515.28088	0.7
520.28583	0.9
546.25104	1.4
564.26514	22.9
618.34680	1.5
662.34015	13.8
663.33771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
53.39819	0.9
65.03950	2.4
67.05508	5.7
69.03438	1.7
69.07059	1.2
69.59608	3.3
69.60021	3.2
72.05309	1.0
77.03984	1.1
78.70532	1.2
79.05521	2.1
81.03433	1.8
81.07059	2.1
83.04996	1.8
85.02905	2.7
91.05487	6.8
92.04978	1.0
93.05786	2.4
93.07040	8.3
94.06569	8.9
95.04967	3.5
95.08606	1.3
96.04505	1.7
97.02884	1.3
97.06521	3.2
98.21427	1.4
103.05461	1.4
104.05013	1.0
105.07021	2.3
106.06561	1.8
107.07359	2.6
108.08125	62.2
109.06457	1.0
109.10111	1.0
110.06060	1.3
110.09671	1.8
111.03139	1.0
116.04974	4.3
118.06528	1.7
120.04470	2.5
120.08111	11.9
121.10066	1.3
122.06036	57.9
122.09668	14.4
124.07597	2.8
126.05523	1.8
134.06036	11.3
136.07585	71.3
138.05522	8.7
138.09154	2.5
140.07091	1.5
144.04457	13.4
145.10129	1.6
146.06013	16.4
148.03970	5.7
148.07613	2.1
150.05510	28.8
150.09171	6.6
152.07079	5.2
154.05058	2.8
157.10188	1.1
160.03946	4.3
162.04140	2.5
162.05513	68.4
164.07079	100.0
164.10721	25.8
164.12007	2.0
165.09155	2.0
166.08640	14.8
168.06531	1.7
172.03944	54.8
173.04691	1.4
174.05508	8.2
175.10010	1.2
178.08635	3.5
180.06607	1.2
182.08182	10.6
184.07381	1.3
190.05003	24.3
192.06639	1.5
197.10950	1.5
198.09183	1.6
204.06575	94.6
206.08084	7.0
211.12401	1.4
213.10112	1.3
213.13879	4.6
217.13319	2.7
222.07553	6.3
223.08629	1.5
223.12457	1.6
227.15408	1.6
229.13197	1.4
235.08554	2.2
236.09431	2.1
237.10240	3.1
239.08339	1.3
241.09773	1.8
243.11168	1.5
251.08315	1.8
251.11852	4.1
253.09589	2.9
253.13332	4.9
255.11234	2.0
255.14877	4.6
257.12830	3.8
263.08224	1.9
265.09665	3.3
265.12802	1.0
267.11176	1.4
269.09232	6.1
269.12469	1.5
270.13657	1.6
271.14423	5.3
275.13959	1.9
277.09705	1.5
279.07788	1.5
279.11313	6.6
280.11771	1.4
281.09424	3.1
281.12869	43.5
283.10703	2.0
285.12436	2.4
286.12695	1.5
287.10477	1.5
287.13809	3.4
293.12576	1.2
295.10843	1.7
297.12354	3.4
299.13895	4.1
307.10757	18.2
309.12146	1.2
311.10211	3.0
313.11862	2.8
313.15469	22.0
323.10254	20.4
323.13971	15.1
325.11887	6.3
325.15161	1.1
329.11252	5.1
331.12930	2.3
331.16562	2.7
337.11862	2.0
339.13474	14.4
341.11401	3.0
343.13016	2.4
353.11130	2.0
355.12979	1.3
355.16641	12.9
357.14511	2.4
361.13898	2.1
373.14035	5.5
404.19739	7.7
426.47318	1.2
430.17517	14.3
432.18842	1.7
434.16986	1.7
436.22318	1.6
448.18616	13.4
450.20145	5.2
462.20282	11.7
466.15363	1.8
474.20224	3.0
478.16061	5.2
480.21219	4.5
490.19229	1.1
492.21436	5.7
502.16254	4.5
506.22928	18.3
524.23889	2.4
534.18762	2.7
567.25769	1.6
585.27191	3.4
611.24927	23.2
629.25873	30.1
643.27728	21.5
661.28369	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	661.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.6
67.05508	1.6
70.97881	2.6
70.98232	1.2
79.05491	3.5
80.05027	2.0
82.06588	1.3
87.77863	1.0
91.05488	5.2
93.05788	3.7
93.07034	6.8
94.06581	8.7
95.07346	5.3
95.08641	1.2
96.04527	5.4
96.08134	11.0
106.06559	4.3
107.07333	4.5
108.08123	36.8
110.06056	3.6
110.09690	18.9
120.04421	1.8
120.08109	25.4
122.06044	8.6
122.09681	15.0
124.03998	2.3
134.06033	21.2
134.09714	3.0
136.07594	10.4
138.05515	24.1
138.09145	98.0
146.06004	3.0
148.04005	1.1
148.07607	3.5
150.05531	2.9
150.09163	2.7
152.07112	6.7
154.05017	4.9
160.03969	2.3
162.05510	84.0
162.09160	4.9
164.07083	17.3
166.08626	7.0
172.03957	3.6
172.60918	1.1
174.05513	1.8
178.04988	1.0
178.08650	1.3
180.06656	1.4
180.08615	2.1
180.10199	41.1
197.10797	2.1
199.08780	1.7
201.10161	1.3
203.11902	2.8
204.06619	2.4
205.13341	1.3
206.08127	2.1
208.09816	1.4
209.10849	1.8
210.11450	1.8
211.08670	2.6
211.12437	2.8
212.09332	1.6
213.06667	1.1
213.10170	2.6
215.11865	1.6
221.10762	1.4
222.11497	3.0
223.08684	6.1
223.12328	4.3
224.09528	3.7
224.13069	1.8
225.10219	22.6
225.13800	1.3
226.11053	4.1
227.08195	1.4
227.11841	6.3
229.13228	1.3
233.12842	24.1
235.08723	3.5
235.12349	3.5
236.09508	4.3
237.10292	14.2
237.13873	4.9
238.10992	9.9
239.08133	3.6
239.11807	15.1
240.08925	1.3
240.12604	1.9
241.09645	1.2
241.13316	2.4
243.11543	1.2
247.12350	2.0
248.09300	9.3
249.10185	13.2
250.11014	15.4
251.08134	8.8
251.11790	36.5
252.08932	3.0
252.12506	8.1
253.09695	6.8
253.13319	10.2
254.10544	3.0
255.11325	4.5
255.15044	1.4
263.11816	39.9
264.09045	3.5
264.12601	9.4
265.09799	10.9
265.13391	25.8
266.10651	5.4
266.14120	4.9
267.11353	7.2
267.14853	2.5
268.11871	1.7
269.12888	3.3
271.10696	2.4
273.12390	2.3
275.11923	1.8
277.09775	4.7
277.13107	1.5
278.10513	6.9
279.11288	20.6
280.12186	2.9
281.12842	18.9
282.10080	2.7
282.13507	2.3
283.10797	14.7
283.13925	1.6
284.11560	3.8
285.12378	10.1
286.13177	2.0
291.11234	10.8
293.12875	15.4
295.10849	6.5
295.14279	2.9
296.11591	19.3
297.12332	21.6
297.15720	1.4
298.13165	4.8
299.14014	5.5
300.14462	1.1
303.13370	12.6
305.08975	1.3
307.10748	3.6
308.11502	1.5
309.12335	69.8
310.13077	4.3
311.10330	2.2
311.13892	38.4
313.11902	5.7
314.13080	1.3
319.10770	4.6
321.12350	4.1
323.10349	1.8
323.13837	1.8
325.11850	12.8
327.13388	14.0
328.14410	2.6
337.11823	28.8
337.15839	1.5
338.12628	5.6
339.13425	15.7
341.15134	5.8
343.13333	1.3
351.13519	3.5
353.14911	2.2
355.13187	2.0
356.13757	2.3
357.14563	12.2
358.15689	1.6
369.14468	100.0
370.15271	4.8
371.16040	44.4
372.16940	1.7
390.18173	2.9
404.19998	1.4
412.16605	3.4
422.17264	2.0
430.17560	3.0
432.19522	5.2
434.17154	3.1
442.17490	1.6
444.19165	3.5
446.20804	2.5
450.16660	6.0
458.17111	3.3
460.18747	4.5
462.15747	13.1
465.60461	1.3
466.19736	2.7
474.16425	1.9
476.18066	1.5
482.19254	17.4
486.16577	14.6
490.19720	2.4
492.21829	11.6
494.19104	43.5
495.19360	1.8
504.17474	11.4
506.18750	1.2
518.19244	71.8
522.18695	1.6
524.20490	2.3
536.20203	40.7
554.21222	4.8
567.25946	3.2
583.25183	1.8
585.27075	2.0
593.23779	4.9
599.28168	2.3
601.26495	3.2
611.25031	34.5
625.26038	3.7
629.26062	82.9
630.26013	1.5
643.27545	15.7
661.28674	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	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84942	1.4
56.96566	42.4
57.87344	1.3
59.71008	1.3
67.05496	2.3
69.07053	1.5
71.40321	2.5
71.95266	4.9
72.20630	1.5
72.96048	1.9
79.05497	3.3
81.07053	1.8
91.05477	1.9
93.07023	2.5
95.04967	1.6
98.97591	2.1
104.05811	1.3
105.07072	2.0
108.16358	1.4
109.10130	1.5
110.97639	4.1
119.01691	1.8
119.08630	1.7
121.10085	1.7
123.01216	2.5
127.00776	2.1
128.98650	4.2
137.02708	1.5
141.02332	1.3
145.10161	1.9
146.99657	3.0
153.02258	2.1
157.01805	1.5
167.03806	3.2
169.01807	2.0
171.03349	6.1
181.05452	1.5
183.11681	1.6
185.04852	9.4
187.02803	1.9
189.04366	4.1
195.07011	2.4
199.06433	11.8
203.05913	7.2
207.07039	1.7
211.06506	4.7
213.07970	11.2
217.07413	9.9
221.08603	2.6
225.07982	7.3
227.09554	4.1
229.07523	4.1
231.07091	3.2
231.09099	11.6
236.09718	1.9
237.08018	4.6
239.09520	7.3
241.11140	3.6
243.09035	4.0
245.10597	2.7
249.08090	6.1
251.09529	16.0
253.11147	3.2
255.09023	29.2
257.10770	2.4
267.09027	49.7
269.10587	63.6
273.10114	14.2
278.10806	2.8
279.09244	3.5
280.09949	2.7
285.10095	42.1
287.11627	16.6
290.10669	5.3
291.12659	4.9
292.12170	9.5
297.10196	1.6
303.11267	4.0
307.12201	1.5
308.11792	6.1
308.15176	1.5
309.13852	4.3
327.14859	1.7
331.15775	20.2
349.16855	62.2
367.17932	100.0
372.18741	2.4
385.19104	3.9
390.19565	23.8
430.72806	1.6
559.64258	1.7
561.31055	9.5
659.38263	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47806	0.7
55.05446	1.1
56.96512	32.2
56.96824	3.0
61.02872	0.7
62.69016	0.7
67.05445	2.5
69.07015	1.1
71.54047	1.0
71.95265	4.9
72.95975	2.2
72.96339	0.6
79.05434	2.2
81.00194	0.7
81.03392	1.1
81.07001	1.6
83.04947	1.0
83.08591	1.0
84.95986	1.3
85.02881	1.1
88.22768	0.8
91.05428	0.8
93.06995	1.5
95.08572	1.0
97.02820	0.7
97.96767	1.6
98.97518	2.4
105.00139	0.7
105.06970	1.1
106.96171	0.6
107.08572	1.3
109.06473	0.8
109.10145	1.1
110.97532	2.8
115.00629	1.1
116.98603	0.8
119.01646	0.9
119.08523	0.9
123.01199	0.7
127.00672	0.9
128.98538	2.7
133.10040	0.9
137.02663	1.4
141.02226	0.9
145.10107	1.1
146.99646	1.5
153.02202	0.9
155.03731	1.9
157.01682	0.7
161.01170	0.8
165.02101	1.1
167.03725	1.1
169.01611	1.0
169.05292	0.9
171.03203	1.6
173.04787	1.5
175.02692	0.9
181.05362	1.4
183.06824	1.8
185.04768	2.9
185.08385	0.7
187.06364	1.6
189.04295	1.1
191.03860	0.6
193.05341	1.1
195.06891	3.9
197.04910	1.1
197.08447	1.1
199.04716	1.1
199.06424	14.1
201.04350	0.8
201.08008	5.3
203.05814	2.2
205.07341	1.3
209.08510	0.8
211.06421	9.5
213.07997	45.7
214.08430	0.6
215.11288	0.7
217.07478	11.5
219.09035	2.3
222.07909	0.8
223.02829	0.8
225.07941	4.0
227.09441	1.6
229.07486	70.9
231.09056	39.2
236.09557	5.9
237.07858	1.0
241.07552	1.4
243.09044	24.7
245.10555	1.4
247.08553	38.2
251.06024	0.9
252.09103	10.0
254.10582	3.7
255.08948	1.7
257.06946	0.9
261.10110	12.0
265.10815	0.7
266.10587	2.9
267.08994	1.6
269.10577	2.6
270.10028	3.0
279.08804	0.7
284.11478	0.8
285.10043	1.8
303.16446	0.7
309.13831	0.7
313.14749	2.3
319.15912	0.9
331.15793	13.9
333.19040	1.0
349.16867	100.0
350.17068	0.9
367.17941	45.6
372.18524	2.1
383.17386	1.3
385.19000	1.9
390.19504	19.1
391.19958	0.9
402.31100	0.8
441.63132	0.7
521.27832	8.3
561.38287	0.7
641.37909	0.7
659.38348	56.4
660.38165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.7
56.96566	16.1
56.96819	0.8
61.80310	0.5
67.05456	1.4
69.07023	1.0
71.95222	1.9
74.97577	0.5
79.05489	3.4
81.03384	1.1
81.06998	2.0
83.04955	0.6
84.95995	0.8
86.97584	0.5
91.05434	1.4
93.06998	1.4
95.08559	0.5
97.02842	0.8
97.06503	0.6
98.97549	2.3
105.07016	1.3
105.58170	0.5
107.08585	0.9
109.10078	0.8
110.97528	2.3
111.04480	0.5
115.00655	1.1
116.98598	1.1
119.08558	1.3
124.99082	0.5
127.00742	0.5
128.98627	3.0
131.00133	0.6
134.99615	0.7
137.02737	0.8
139.00656	0.6
143.00186	0.8
145.01546	0.6
145.10081	0.7
146.99622	1.3
147.03249	0.7
147.11690	0.5
149.02435	0.6
151.00597	0.6
153.02100	0.9
155.03755	0.6
161.01242	0.6
167.03792	0.5
167.12988	0.5
169.01738	0.8
169.05417	0.8
171.03258	1.1
173.04890	0.7
175.02765	0.6
177.04337	0.6
177.91661	0.5
181.05255	0.7
182.55096	0.5
183.03285	0.7
184.07378	0.8
185.04817	2.2
187.02831	0.7
187.06360	1.0
189.04280	1.6
197.04776	0.9
198.05658	0.9
199.06454	4.3
201.07947	0.9
202.58946	0.5
203.05907	2.1
205.01770	0.6
205.05446	0.5
205.07387	1.7
207.06976	0.8
213.07971	3.5
217.07457	4.1
219.06842	0.7
223.02718	2.3
223.06418	0.5
225.04282	1.0
225.07912	2.4
227.05869	1.7
229.07507	1.8
231.09033	2.0
235.10095	0.6
237.04366	1.1
237.07970	1.3
239.05960	0.9
239.09520	2.0
241.07428	1.2
243.09081	4.3
245.10588	0.6
247.08510	0.8
251.09561	1.4
253.11076	1.9
255.09009	2.3
257.10571	1.1
261.10074	1.7
265.10983	0.9
266.10580	0.7
268.09952	0.5
269.10611	3.0
271.12122	0.9
275.20004	0.9
277.11133	0.8
279.08997	1.2
280.09763	2.4
287.11865	0.6
293.20914	0.6
297.10147	1.2
299.11740	0.6
303.11536	0.5
307.12039	0.9
307.15677	1.2
328.14377	0.6
331.15811	55.8
332.15866	1.0
349.16876	100.0
350.17264	1.4
367.17950	41.0
368.18353	0.9
372.18524	10.7
390.19537	12.1
641.36804	2.9
659.38318	34.6
660.38324	0.7
682.81836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.5
56.96568	9.2
56.96824	0.4
62.96764	0.3
67.05465	1.1
69.07017	0.5
69.36868	0.3
69.62949	2.0
71.95267	1.9
74.97591	0.4
79.05457	0.9
81.03366	0.6
81.07024	0.8
83.04959	0.5
84.95994	1.3
85.02888	0.4
91.05427	0.6
93.06993	0.8
97.96805	0.5
98.97590	1.7
105.07005	0.6
107.08502	0.4
109.10118	0.5
110.96848	0.4
110.97562	6.4
111.98334	0.7
112.99126	0.5
115.00665	0.6
116.98596	0.8
124.99107	1.1
128.97736	0.4
128.98608	6.0
129.99409	2.8
131.00195	0.5
137.02774	0.4
141.99382	0.7
143.00179	2.2
143.97264	0.6
146.99635	2.6
147.11612	0.4
148.00423	3.0
152.00232	0.6
153.02190	0.8
155.00116	0.6
155.03786	0.6
160.00473	2.0
161.01181	1.4
161.98402	0.5
165.02176	0.4
166.01591	0.4
167.03812	0.5
168.88438	0.4
169.01723	0.8
171.03247	2.1
175.02797	0.8
182.99617	1.6
183.03273	1.1
184.04062	1.4
185.01196	1.1
185.04831	2.4
186.01965	1.1
187.99886	0.4
189.04370	1.9
193.01683	0.5
193.05316	0.5
194.04916	0.4
195.06859	0.5
197.01242	6.0
197.04788	1.1
197.08348	0.4
199.02831	0.5
199.06419	4.3
201.00706	1.9
201.04306	1.1
201.07994	0.8
202.01622	0.4
202.05173	0.7
203.02293	0.6
203.05904	2.3
204.03101	0.7
205.07483	0.7
209.04845	0.8
211.02786	1.0
211.06412	1.4
213.07964	1.6
215.02258	5.6
215.05917	0.6
216.02927	0.4
217.03870	0.5
217.07452	4.2
221.04808	1.1
222.08107	0.6
223.02823	0.5
223.06514	0.7
225.04381	0.5
226.05280	0.4
227.05933	2.6
228.06664	0.5
229.03896	0.8
229.07471	6.7
230.04683	0.5
231.09064	1.0
237.04201	0.7
237.77710	0.3
238.03778	0.6
239.05930	7.5
240.06766	3.3
240.08969	0.5
241.07466	1.5
241.11206	0.7
243.05382	0.5
243.09100	0.8
244.06181	1.6
245.06947	1.6
247.08556	2.9
250.07729	0.4
251.09572	0.4
252.09067	0.9
253.07617	0.5
254.04605	0.4
255.09128	0.4
257.06992	18.8
257.09885	0.6
258.07764	15.2
259.08463	1.4
262.08667	0.6
263.08133	0.5
267.08890	0.6
272.05664	1.4
275.08078	3.3
276.08826	7.0
279.08987	0.5
280.08334	1.8
281.09344	2.2
289.14734	1.3
290.06851	2.0
295.11938	0.4
298.10867	0.9
299.10651	0.5
307.15814	1.2
313.14777	1.4
319.15741	0.6
331.15826	22.9
332.16217	0.4
347.15317	0.4
349.16873	100.0
350.17267	1.6
365.16290	0.5
365.85837	0.4
367.17938	30.0
372.18539	2.3
385.19012	0.5
390.19565	15.3
391.19855	0.5
492.83182	0.4
523.17786	0.5
641.36426	0.8
659.38293	45.6
660.38910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.9
55.01860	4.4
55.05509	11.0
55.43417	1.6
57.03199	2.4
57.03439	26.9
57.07063	8.0
61.02930	91.2
66.72967	2.0
67.05505	46.6
69.03083	2.7
69.03434	38.9
69.07070	16.1
70.06579	4.1
71.01345	5.8
71.04984	5.4
73.02919	30.6
75.04458	2.6
78.90868	1.9
79.05495	33.1
81.03419	30.1
81.06593	3.5
81.07059	55.5
83.01305	1.8
83.04984	4.9
83.08624	5.6
85.02910	100.0
87.04456	5.6
88.07619	6.3
91.03956	55.7
91.05489	17.7
93.07048	39.2
95.04974	5.9
95.08610	41.5
97.02895	79.9
97.06529	3.7
97.10203	3.2
98.20784	6.5
99.04438	14.8
101.02386	8.8
102.09190	4.5
103.03950	13.0
105.07040	16.7
107.04929	2.4
107.08586	18.5
109.02881	13.8
109.06491	2.9
109.10163	19.3
111.04451	4.5
115.03910	7.4
117.05502	2.7
117.07007	7.4
119.08582	13.1
121.10163	23.6
123.04471	1.8
123.11678	6.9
127.03927	35.8
129.05472	8.1
129.06973	2.1
131.08582	10.5
132.93791	2.0
133.10152	10.8
135.08099	3.1
135.11696	14.4
137.13292	3.0
143.08604	2.8
145.04973	21.3
145.10161	10.3
147.11717	10.0
149.02354	9.2
149.09618	2.2
149.13245	8.6
150.02652	3.4
157.10095	2.7
159.06540	4.2
159.11711	11.7
161.13229	7.4
163.06017	8.6
163.11240	1.9
163.14857	3.9
171.06487	3.4
171.11703	2.0
173.13266	8.5
175.14838	2.7
179.14252	3.0
183.06572	13.3
184.07292	2.7
187.14809	5.7
190.33183	2.0
191.14275	2.4
193.04909	11.5
194.05301	2.6
201.05898	1.8
201.07471	9.2
215.14389	2.2
221.50290	1.8
226.40802	2.3
229.20520	1.7
241.19647	2.1
243.21071	8.4
256.26328	8.6
257.26691	10.1
259.20618	2.4
261.22128	27.9
285.22250	2.3
301.21777	2.0
303.23209	2.9
317.24683	2.4
327.23221	2.7
327.68561	2.1
335.25824	99.3
363.25491	2.9
369.24222	6.9
377.26910	5.0
385.09250	4.6
386.09677	2.7
405.26407	2.8
419.27939	2.2
429.11884	3.7
430.12067	5.3
443.27811	4.3
461.29044	4.9
479.30038	8.9
497.31052	4.9
641.28387	2.5
659.35992	33.7
664.86414	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	659.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63477	0.7
59.97783	0.7
70.98415	1.7
74.61691	0.7
93.07042	1.1
94.06569	2.4
95.07350	0.6
96.08124	1.8
102.13659	0.7
108.08118	9.1
110.09690	3.6
120.08129	3.8
122.06032	5.0
122.09672	1.1
124.07563	2.0
134.06046	0.9
136.07623	1.2
138.09148	16.1
138.10204	1.0
150.05508	2.3
150.09138	2.9
152.07074	2.8
162.05542	1.2
164.07094	2.2
166.08672	0.9
170.52426	0.7
172.03949	2.7
178.08632	1.2
180.10246	2.9
182.08209	1.3
197.12387	0.7
204.06570	6.3
204.10190	1.8
211.08707	1.5
211.60223	0.6
213.10268	0.9
220.10036	1.0
221.10670	1.2
223.08838	0.9
223.12299	0.9
229.13478	1.0
233.10735	0.8
233.12827	1.9
235.08696	4.6
235.12358	1.5
236.09445	1.8
237.10239	6.7
238.10999	1.8
239.11818	1.5
243.11351	1.9
247.08638	7.3
248.09401	8.9
248.11504	0.8
249.10219	10.3
250.10994	17.4
251.08018	1.3
251.11794	8.3
252.12589	1.1
253.09825	1.1
255.11284	1.6
257.12790	1.1
261.10226	11.5
262.11020	9.3
263.08328	2.4
263.11801	38.4
264.09198	1.1
264.12503	3.2
265.09976	3.5
265.13281	4.6
266.10690	1.0
267.11365	1.9
275.08273	1.0
275.11606	0.8
276.09027	1.8
277.09760	6.2
278.10483	2.0
279.11292	38.3
280.11960	1.9
281.12860	2.2
282.10092	2.1
283.10751	1.0
285.12311	4.9
289.09735	4.2
291.11273	10.0
292.12192	2.2
293.09583	1.5
293.12817	3.4
295.10788	4.0
295.14063	1.4
296.11557	2.5
297.12354	2.6
303.13388	2.2
307.10748	18.8
309.12338	9.6
310.13446	0.9
311.13950	1.8
317.09045	0.9
319.10715	5.2
321.12457	2.4
323.10495	1.6
323.13681	3.7
325.11932	2.5
327.13614	1.5
328.14539	2.1
329.15424	1.0
330.44217	0.9
335.10269	11.3
336.10971	1.4
337.11798	15.2
339.13458	7.2
340.14355	0.9
342.16055	2.4
343.13284	0.9
349.11871	0.9
351.13586	1.4
354.16235	1.2
355.12921	6.3
355.16580	1.3
356.13925	1.4
357.14465	2.3
367.12897	57.4
368.13651	3.3
369.14594	10.5
370.15417	1.6
371.16086	1.0
372.17184	1.2
383.16501	0.9
386.14728	1.2
388.16501	1.1
400.16705	1.3
402.18024	1.1
414.18671	1.5
416.19830	1.0
419.18503	1.4
428.16180	1.3
430.17526	1.2
432.19299	3.7
442.17825	2.0
443.19031	0.8
460.19406	3.8
474.20242	2.5
487.17377	1.0
490.19864	1.2
492.21320	100.0
493.21637	2.9
501.19135	0.9
502.19513	2.0
516.17822	0.9
518.18842	3.7
519.19666	3.0
520.20831	13.2
534.22406	15.6
535.22595	1.0
562.21600	0.8
581.23981	4.2
609.23657	9.6
613.26538	2.3
618.36169	0.8
627.24304	4.8
641.26019	33.6
659.27087	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	659.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22778	0.6
56.96568	0.7
64.09225	0.7
65.03948	1.1
66.54843	0.7
67.05518	1.9
69.03436	1.2
69.07079	1.5
71.04984	0.9
73.02912	0.6
79.05511	2.7
81.03426	1.6
81.07064	2.3
81.73370	0.8
85.02917	2.3
88.76297	0.6
89.03925	1.4
91.05505	2.0
93.05800	0.9
93.07047	1.9
94.06583	4.1
95.04977	0.8
95.08645	1.0
96.08130	3.2
97.02900	1.8
97.06535	2.6
98.97601	1.7
105.07047	1.4
106.06618	0.9
108.04511	1.1
108.08124	11.7
110.09678	4.6
116.04974	3.4
117.03371	0.9
117.07023	0.7
118.06556	2.0
119.08674	0.7
120.04463	3.7
120.08107	6.3
121.06438	0.8
121.10125	0.8
122.06036	2.0
122.09663	0.7
124.07592	1.9
131.08592	0.7
133.10091	0.6
134.06033	2.9
136.07567	5.0
138.05481	0.7
138.09148	17.4
144.04437	8.0
144.08110	1.1
145.02846	1.0
146.06021	5.4
148.07544	1.4
150.09135	5.4
152.07065	1.2
158.09650	0.7
160.03929	1.3
162.05537	5.7
162.09163	1.4
163.03969	0.9
164.07083	2.6
166.08632	1.5
172.03940	50.5
173.02357	1.3
174.05522	3.4
175.06194	0.6
176.07137	6.0
177.05492	1.9
178.08687	1.0
180.10185	11.6
182.08150	0.9
184.07559	0.7
188.07010	1.3
190.05022	6.0
192.06638	0.7
197.10669	0.8
198.07829	1.0
199.08800	1.1
201.10326	3.1
204.06567	100.0
205.06961	0.7
209.10805	0.7
211.08723	0.8
212.07086	0.9
212.09448	1.7
213.06598	1.3
213.10274	1.1
215.06985	1.1
225.10335	1.7
226.08827	0.7
227.08116	4.7
227.11830	2.7
229.09766	3.4
236.09431	1.0
237.10201	1.8
238.10913	0.9
239.08104	0.9
239.11739	1.7
240.09018	0.9
241.09738	4.5
243.07648	2.1
243.11278	2.4
245.09181	1.1
245.12842	1.1
249.10226	1.6
250.11064	1.0
251.08142	1.4
251.11821	2.4
252.08951	1.7
253.09773	2.3
253.13315	1.0
255.07556	0.8
255.11182	1.8
257.09225	3.2
258.10028	0.9
259.09671	2.9
261.12442	1.0
263.11865	1.2
264.08960	1.5
265.09836	3.0
267.07657	1.5
267.11276	1.9
269.09183	9.5
269.12720	2.5
271.10638	3.5
273.08691	2.6
277.09506	0.8
279.11249	5.3
281.09454	1.2
281.12772	1.7
283.10788	4.9
285.08673	5.9
285.12210	2.0
286.09467	5.8
287.05444	2.9
287.10339	2.2
287.13922	2.8
289.11844	15.6
291.11411	1.6
293.09277	1.3
293.12900	0.9
295.10611	1.2
297.12360	6.7
299.10413	1.0
299.13840	0.9
300.15088	1.1
301.12210	1.0
301.15741	2.0
302.09589	0.7
302.12924	1.0
307.10654	1.9
309.12283	1.4
311.10223	2.8
311.13876	1.9
313.15366	1.0
317.11703	1.5
318.12344	1.1
321.12119	1.0
323.10257	2.7
323.13824	1.0
327.10641	0.7
328.14398	1.0
329.11349	1.5
329.15079	1.3
330.12292	1.6
331.13196	1.3
332.13782	1.5
337.11758	0.9
339.09940	0.8
339.13474	8.2
341.11362	1.3
341.15240	1.3
342.12256	0.8
344.10291	2.0
344.13846	1.7
345.10883	1.0
346.15387	1.1
353.11282	1.1
353.15060	0.9
354.12222	1.0
355.13028	1.4
355.16714	0.9
356.10135	1.0
357.14651	1.6
358.11844	1.9
358.15826	1.1
359.12650	1.2
360.13361	1.6
360.17178	1.9
362.15228	0.8
368.13721	1.0
370.11807	1.0
371.16098	21.9
372.13324	2.9
373.14197	4.1
374.15027	1.4
382.11783	1.4
384.09445	1.0
385.10107	0.8
385.14380	0.8
386.10950	3.0
386.15240	1.5
387.12247	1.7
388.16614	1.9
390.14474	1.6
392.16095	1.8
396.13379	1.5
398.15079	1.4
400.12964	8.1
401.13687	7.9
402.14246	2.1
404.16235	1.3
406.13785	1.0
414.14325	2.5
415.16525	1.3
416.16568	3.0
418.13730	2.4
424.13147	1.0
430.13895	2.8
432.15256	6.1
442.13922	6.0
448.15106	4.5
460.15015	26.5
461.15173	1.2
464.17801	0.7
474.16565	1.4
480.17685	5.0
492.17654	33.7
495.16504	1.8
565.23840	1.0
567.21979	2.9
585.23383	4.2
591.22333	0.9
599.24591	2.0
609.23438	10.2
617.26654	3.5
627.24542	53.0
628.24579	1.5
641.25916	4.9
659.26593	30.2
660.27747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34547	0.7
64.80670	0.7
71.36201	1.2
79.54424	0.7
98.21375	0.7
101.07667	0.7
102.15163	0.9
132.08003	0.8
136.45201	0.9
183.09203	0.9
209.10657	1.2
210.11296	0.8
213.09842	0.8
221.10733	0.9
237.13748	1.5
247.12305	1.0
259.12372	0.8
261.13889	1.7
275.15308	1.3
288.16052	1.5
289.16608	1.0
302.12939	1.0
302.16553	0.9
312.14902	0.8
314.16367	0.9
318.16223	1.3
321.16812	0.9
323.14108	0.9
340.17999	1.3
354.19556	1.1
362.15585	1.0
363.16400	1.0
364.17273	1.3
365.17557	1.2
368.21384	1.0
376.17087	1.2
377.17685	2.1
378.19244	1.4
379.19339	2.7
381.20752	1.5
389.17804	1.5
391.19058	2.5
392.20007	2.2
393.16989	2.3
393.21204	2.0
394.17661	1.4
403.19568	1.3
405.20752	2.4
406.17770	1.3
406.22220	1.4
407.18204	2.1
407.22440	3.0
408.19345	3.7
409.20355	5.2
419.18250	1.7
421.19928	3.5
422.21033	2.5
423.21899	13.2
424.22479	1.2
431.18796	1.0
433.20074	1.4
434.21368	1.7
435.22110	6.4
436.22443	3.4
437.23306	3.5
438.21884	1.3
442.21814	0.9
446.21072	1.4
447.21869	2.0
449.23260	3.0
450.24356	1.5
451.21317	2.4
452.22412	1.7
453.23343	1.1
454.20020	3.7
461.23779	5.0
462.20313	1.9
463.21298	2.3
464.22134	1.7
465.23080	3.7
466.20624	0.9
467.24286	2.7
468.24927	2.9
469.26093	1.1
476.21866	1.9
477.23383	5.6
478.23520	1.8
479.24875	6.4
480.21954	1.3
481.22336	3.2
491.20917	1.1
493.21268	5.2
494.26840	5.1
495.23679	11.4
496.24573	3.6
506.22903	1.4
507.24155	1.6
508.24823	10.5
509.25699	10.5
510.26480	10.4
511.27237	11.9
516.25043	1.7
519.24115	1.3
521.25110	3.8
522.25824	3.4
523.23718	4.1
525.28436	1.0
526.28455	1.1
537.25177	14.2
538.25861	7.2
551.23181	1.8
553.28296	8.3
554.25470	1.2
555.25787	2.3
565.24170	3.6
570.28094	3.6
581.27625	16.5
582.24939	1.1
583.25433	5.7
596.27173	1.1
597.27142	38.6
598.27802	5.6
613.30255	71.5
614.30249	1.7
625.26575	100.0
626.26770	1.8
657.29187	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75816	1.7
62.26888	1.7
70.71706	4.9
78.58029	2.1
99.50430	1.7
171.60419	1.8
174.04828	2.0
216.80174	1.8
271.21579	1.8
275.15335	2.1
297.27502	2.0
299.15005	1.8
346.08746	1.8
351.16754	2.0
363.16101	2.1
364.17569	3.2
365.17609	3.3
379.19467	2.3
389.17175	2.3
391.19312	3.8
405.20859	2.2
407.22598	3.3
409.20044	3.5
421.19702	4.3
422.20883	2.4
423.21841	14.6
426.09464	2.4
435.22064	4.1
436.22415	5.7
437.23337	3.5
446.20691	2.9
454.19669	2.8
461.23230	6.5
463.20993	3.3
465.22736	3.3
477.22836	6.2
478.23532	2.7
479.24579	5.2
481.22275	3.1
493.22345	7.6
494.26602	3.1
495.23575	11.2
496.24496	4.0
507.94147	2.3
508.24838	10.8
509.25958	10.4
510.26563	8.9
511.27246	10.0
521.25598	3.7
523.23291	3.9
537.24976	12.9
538.25531	7.0
553.27838	5.4
565.24402	3.2
570.27844	2.6
581.27563	15.1
583.25305	6.1
597.27020	43.1
598.27643	5.4
613.30243	64.3
625.26563	100.0
657.28906	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	657.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.8
65.03943	2.5
66.05270	1.7
67.05491	3.1
69.03414	1.9
69.07067	2.2
69.29102	2.9
69.29496	12.5
70.06601	2.1
71.04989	2.0
75.81265	1.4
79.05486	4.9
81.03425	1.9
81.07036	4.0
84.08127	1.3
85.02905	4.8
91.05451	4.8
93.05776	2.6
93.07023	6.2
94.06570	8.7
95.04952	2.3
95.08616	2.7
96.08115	5.4
97.02872	3.0
97.06522	4.3
98.97582	2.2
105.07030	3.6
107.04950	1.8
107.07370	1.7
107.08607	2.6
108.08129	32.5
109.02889	1.4
109.06496	1.9
110.09635	8.7
118.06490	2.2
118.22849	1.2
120.04454	1.6
120.08104	13.1
121.06512	1.8
121.10202	1.4
122.06005	5.6
123.69820	1.5
134.05981	3.0
136.03983	1.8
136.07578	14.3
137.05972	2.4
138.09145	38.3
144.08023	2.6
145.10054	2.4
150.09140	18.9
152.07072	4.5
153.01801	1.8
162.09105	3.6
163.03896	2.5
164.07082	1.9
165.09071	1.8
180.10191	30.3
213.10338	1.8
227.11815	2.5
235.08675	5.5
236.09454	3.2
237.10370	2.3
241.09621	2.0
247.08577	2.0
248.09450	3.4
249.10278	20.9
250.10988	3.1
251.11800	5.4
252.08696	1.6
255.11290	5.8
259.09583	4.5
261.10187	8.3
262.11002	3.1
263.09143	2.1
263.11780	13.3
265.09628	4.6
267.11319	2.0
269.09000	2.0
275.08295	2.1
276.08972	1.6
277.09793	14.6
278.10425	3.9
279.11304	10.1
283.10797	3.0
285.10080	2.7
289.09689	11.6
290.10504	2.4
291.11285	5.6
292.12164	2.4
293.08972	2.5
295.10907	1.8
300.11420	1.7
301.12433	2.3
305.09210	4.4
307.10812	4.2
309.12299	6.4
310.13205	4.6
311.10568	2.0
311.14191	2.0
312.15076	2.3
313.12915	3.0
314.12875	2.6
314.16278	2.1
317.09308	3.2
319.10663	2.2
323.10272	7.5
324.11276	2.4
325.12155	3.0
326.12845	4.2
328.10950	3.0
328.14597	3.7
329.11969	2.0
330.12396	2.2
335.10266	2.4
337.11880	2.6
338.12872	8.8
339.13745	5.0
340.10968	3.4
340.14493	16.1
341.11819	4.7
342.12338	7.6
342.16049	2.8
343.13181	2.6
344.14215	2.2
351.09995	1.9
352.14578	5.3
353.11414	2.5
353.15457	3.3
354.12311	6.1
354.16214	4.2
355.13055	5.1
355.16959	2.0
356.10211	5.4
356.13864	4.6
356.17651	3.1
357.11111	5.0
358.11780	3.6
358.15735	2.6
364.14493	2.0
366.12396	9.2
366.16037	2.4
367.13153	5.7
368.10297	2.1
368.14093	14.4
368.18015	2.7
369.11624	3.4
370.11801	8.8
370.15692	4.9
371.12714	3.9
372.17178	4.5
374.14923	2.3
380.14063	6.8
381.14771	6.0
382.15741	7.2
383.16412	3.1
384.09241	3.3
384.13315	8.0
384.17166	4.8
386.14642	7.5
386.19250	7.9
394.11502	3.2
395.12698	3.3
396.13467	3.2
397.10596	2.2
398.11084	3.8
399.11893	2.6
400.16531	5.6
402.14462	3.7
408.13611	2.3
410.15143	2.5
411.15652	1.9
412.12335	13.4
413.13538	3.2
414.14493	6.2
415.11246	2.7
417.13220	2.7
424.16751	3.0
426.18607	3.3
428.16003	8.3
430.13898	5.7
438.18289	2.6
440.11655	10.2
441.16452	2.1
442.17603	2.1
444.15372	2.6
446.17114	18.2
454.17749	3.9
458.12891	54.2
472.14709	2.8
478.16058	27.0
482.17325	3.6
486.16608	4.1
488.18393	2.6
490.15677	54.6
500.18198	14.9
501.18942	8.9
502.20346	8.3
515.21088	1.8
530.18951	2.0
532.21094	3.3
533.21545	1.8
545.21692	1.8
561.21173	3.4
563.22980	10.3
565.20660	4.2
579.22278	2.7
581.24103	6.2
589.21021	14.2
597.23254	15.0
598.23651	2.0
607.21893	79.6
608.21252	2.1
615.24377	5.4
621.23138	3.1
625.22992	100.0
626.22986	2.2
639.24567	31.4
657.25397	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87585	5.1
70.19263	1.4
71.09049	1.4
71.74095	1.2
82.94733	1.2
102.28536	1.3
112.78487	1.3
153.28229	1.3
157.07610	1.4
280.21002	1.3
403.19354	3.2
404.20093	1.6
413.17783	2.8
427.19113	4.4
428.20279	1.7
433.24075	1.9
441.19202	2.7
448.14777	1.8
449.15189	2.2
455.19595	2.6
457.24176	2.1
463.16833	3.8
469.20001	2.7
473.19046	2.0
477.18439	4.5
478.19104	2.8
483.22272	3.0
491.20297	3.0
492.20685	4.0
493.17743	6.1
501.23093	2.0
503.24390	2.9
504.86319	1.7
505.18027	2.3
506.18970	4.0
510.18689	2.1
511.20978	1.7
519.19543	11.6
520.16669	2.0
523.19135	3.4
533.17078	3.9
537.20447	3.5
547.19104	2.3
548.19855	2.0
551.21991	5.2
563.21649	2.2
579.21564	38.4
607.21204	17.3
639.23712	100.0
640.23523	1.9
657.24829	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90310	2.7
53.03932	3.4
55.01865	7.6
55.05508	25.9
56.96561	5.8
57.03431	7.2
61.02910	12.9
61.07478	2.7
65.03931	3.7
67.05508	48.4
69.03410	12.3
69.07069	18.3
69.81561	2.9
71.04991	7.4
71.53606	4.0
71.53959	4.8
73.02901	5.6
73.06528	2.9
79.05500	43.8
81.03431	15.8
81.07063	55.6
83.04961	7.1
83.08633	17.6
85.02905	21.7
85.06542	6.6
91.03959	10.0
91.05492	56.2
91.06036	6.8
93.07047	30.6
93.78658	3.0
95.04968	12.4
95.08596	30.9
97.02864	10.1
97.06502	11.8
97.10185	8.0
99.04417	3.9
102.53619	3.0
105.07045	42.6
107.04957	6.6
107.08593	18.4
109.02908	4.1
109.06503	7.2
109.10165	15.3
111.04430	4.2
111.08062	5.9
115.05423	7.3
117.07017	34.1
119.08583	26.3
121.06529	6.2
121.10123	14.0
125.09646	3.1
127.03912	3.2
128.06209	10.3
129.07004	36.9
131.00186	4.0
131.08585	51.6
133.06491	5.0
133.10086	14.7
133.21222	3.6
135.08055	4.5
135.11676	10.8
137.09595	3.5
141.06990	25.5
143.08548	35.0
145.06470	6.0
145.10130	30.3
147.08009	4.9
147.11682	8.2
149.09616	6.8
155.08560	39.7
157.06566	3.7
157.10107	26.4
159.08075	5.0
159.11668	14.7
161.09605	6.6
161.13217	4.2
163.03853	6.6
163.11176	6.9
165.07040	3.5
167.08568	8.4
169.10153	17.2
170.10944	3.0
171.11644	16.1
173.09602	5.5
175.11195	7.2
177.12648	3.9
179.08531	7.4
181.10106	17.2
183.11681	9.1
185.09660	3.8
185.13197	7.5
195.11754	15.3
197.13239	9.2
201.12682	3.5
207.11765	6.4
209.13286	4.3
211.14914	6.2
213.12720	6.0
213.16368	4.0
219.11708	3.2
221.13275	9.4
221.15250	3.4
223.14816	16.7
225.12909	4.2
225.16298	3.6
229.14278	6.1
235.14815	8.8
239.14323	7.1
241.15851	5.0
245.15317	4.5
247.16855	4.9
249.16402	4.8
253.15904	6.1
263.14160	3.3
263.59143	3.4
271.16992	4.0
323.23654	6.2
333.22150	22.3
341.24600	6.9
351.23175	57.7
369.24292	38.5
373.27332	3.9
383.25665	8.6
387.25159	9.3
401.26920	52.7
443.27866	22.9
461.28998	9.1
475.30643	100.0
476.30759	4.2
493.32047	15.7
649.05176	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	655.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22079	0.2
55.05503	0.2
64.38350	0.2
67.05482	0.3
69.42428	0.8
69.42861	0.7
74.15630	0.2
79.05505	0.3
83.04999	0.4
91.05473	0.2
91.29017	0.2
93.07080	0.3
96.87352	0.2
109.10233	0.2
117.07010	0.2
119.08608	0.3
128.93922	0.2
154.72450	0.2
168.56833	0.2
176.96069	0.2
281.47217	0.2
291.19772	0.2
377.17834	0.7
390.18799	0.3
391.19290	1.0
392.19946	0.7
393.20920	0.5
403.19620	0.3
404.20563	0.5
405.16357	1.3
405.21283	0.7
406.17407	0.4
406.21994	0.6
407.17685	0.3
407.22430	4.2
408.23303	0.4
417.21280	0.3
418.17834	0.7
419.18219	2.7
419.23642	0.4
420.18570	1.2
420.24182	0.3
421.20337	0.7
432.19543	0.4
433.20645	5.2
434.15869	0.3
434.21048	4.6
435.21872	7.5
436.22665	0.6
445.20132	0.3
446.21347	0.5
447.17902	1.3
447.22256	1.6
448.18857	0.9
448.23358	0.8
449.19196	1.6
451.20981	0.3
461.19199	0.8
461.23740	1.2
462.20352	4.3
463.21130	4.1
464.22394	0.4
465.23279	0.4
474.20584	0.2
475.21234	1.7
476.22238	0.8
477.23184	1.4
478.24020	0.4
479.19849	1.0
480.26044	0.2
489.22867	1.1
490.23831	0.3
491.24866	0.3
493.22339	0.7
493.26880	0.3
494.23410	0.6
495.23825	1.0
505.21649	0.4
506.23318	0.3
507.20477	0.7
507.24127	0.9
508.24619	1.7
509.25662	1.7
521.25781	10.9
522.25983	0.5
534.25989	0.3
535.26556	0.7
547.27496	0.4
549.24988	17.0
550.25128	0.4
553.24841	0.9
563.26715	3.3
564.27753	0.9
567.26575	0.3
577.24860	0.3
581.27753	3.3
595.29333	10.8
596.29462	0.4
607.29083	0.5
609.27118	11.2
623.29022	1.3
627.32178	0.4
655.31274	100.0
656.31744	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	655.2768
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05509	0.8
67.05499	0.6
69.03422	0.3
69.73648	1.8
79.05506	0.6
81.07058	0.6
83.04991	1.4
91.05488	0.5
93.07031	0.7
95.04972	0.3
95.08601	0.3
101.06037	0.4
107.08624	0.4
111.04438	0.7
119.08583	0.4
144.50987	0.3
178.30496	0.3
191.62650	0.4
219.22220	0.3
239.11867	0.7
376.17004	0.6
377.17865	0.9
378.18115	0.4
379.19296	0.4
388.12061	0.3
390.18811	0.4
391.19537	2.0
392.19952	1.1
393.20673	0.9
396.13037	0.4
404.15875	0.8
404.20715	0.5
405.16495	2.7
405.21057	1.1
406.17526	0.6
406.22211	0.5
407.18607	0.3
407.22568	3.4
408.23145	0.5
417.17041	0.4
418.18082	1.2
419.18436	5.5
419.23843	0.4
420.19385	1.5
421.20456	1.9
431.18954	0.9
432.19553	0.7
433.20416	9.0
433.25546	0.5
434.21136	5.4
435.21887	6.4
437.19803	0.4
438.15005	0.4
446.21432	0.6
447.17886	1.3
447.22406	1.2
448.18561	0.7
449.19550	1.5
461.19943	1.4
462.19974	2.6
463.21539	3.1
464.21841	0.5
465.18878	2.0
475.21255	1.0
477.19278	0.6
479.20471	0.7
481.22089	0.4
489.22937	0.8
490.19629	0.7
491.20850	1.7
493.22272	1.2
505.22272	0.9
507.20050	0.8
508.21216	0.6
509.22015	0.5
517.22424	0.7
520.24896	1.3
521.25751	8.3
523.26910	0.4
535.23492	0.7
548.23907	0.5
549.25116	12.8
551.22766	0.5
552.23682	0.6
565.24231	1.7
577.24481	8.8
579.22375	0.5
580.26984	1.7
581.28040	1.5
595.25592	4.7
609.27179	2.5
623.24628	0.4
637.26605	5.3
655.27643	100.0
656.28107	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01870	4.2
55.05519	9.4
56.64986	1.6
56.96563	2.3
57.03432	7.0
57.07064	4.5
59.04984	2.3
61.02915	5.5
65.03945	1.6
67.05504	12.0
68.05034	2.2
69.03432	20.3
69.07087	7.5
70.05397	1.5
70.06580	12.2
71.04986	7.1
71.52475	1.5
73.02907	5.0
74.69751	1.4
79.05495	12.2
81.03419	15.8
81.07059	31.9
83.04984	14.7
83.08621	7.5
84.08123	3.2
85.02907	45.7
85.06541	4.6
86.06042	2.5
86.09697	4.2
87.00850	14.4
87.04462	2.1
88.07617	5.8
91.03960	2.0
91.05466	15.7
93.07051	18.9
95.04971	37.1
95.08622	15.6
97.02897	20.4
97.06548	12.6
98.97621	3.3
99.04474	12.1
99.08096	2.8
104.07106	21.6
105.01867	14.8
105.06401	2.6
105.07037	30.2
107.08594	37.2
109.02879	14.0
109.06518	53.5
109.10162	26.5
111.08083	3.8
115.07577	3.5
115.74651	1.4
116.98668	1.8
117.07021	3.6
119.08593	24.5
121.06480	4.5
121.10153	25.3
123.08073	11.7
123.11692	8.6
125.05947	1.9
125.09619	4.4
127.03927	27.8
127.07559	2.2
130.04996	1.6
131.04904	2.8
131.08560	20.9
131.50061	1.4
133.06505	1.8
133.10135	88.6
135.08072	11.4
135.11693	18.6
137.05957	3.0
137.09618	3.1
139.11189	15.6
143.08559	5.0
144.09351	2.0
145.04956	12.2
145.10121	13.7
147.11687	24.1
149.05965	1.5
149.09633	3.7
149.13260	22.4
151.07518	2.2
151.11203	5.5
153.09106	22.3
157.10103	2.2
158.10910	9.0
159.02910	5.3
159.11665	1.8
161.09560	1.8
163.07529	1.8
163.11159	3.8
163.14807	6.3
165.12767	8.7
167.14305	3.0
173.13269	87.2
174.13690	1.6
175.14830	30.0
177.05443	4.6
191.14314	100.0
192.79642	2.1
193.15907	3.2
205.05383	1.5
209.15366	97.4
213.03889	2.0
216.12306	1.7
220.33627	1.7
223.06573	3.6
225.24551	1.9
227.12888	2.4
227.16434	51.9
231.04959	8.8
247.06625	1.6
249.06097	3.3
280.61319	1.9
308.55664	1.8
332.61740	1.6
352.24731	3.9
353.19342	3.1
367.10400	2.4
370.25827	7.4
388.26849	5.6
393.06036	2.3
406.28024	14.3
421.05396	6.4
421.18689	1.9
427.12817	7.1
428.13080	4.5
439.19241	1.9
457.20782	4.8
463.06339	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	654.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
51.02377	0.8
53.03932	2.8
55.01869	1.8
57.03425	1.6
61.02905	2.1
62.27308	0.6
65.03925	1.3
67.05491	1.3
69.03436	7.4
69.07063	0.7
70.06578	1.6
71.04987	2.0
73.02913	1.3
79.05470	1.4
81.03423	3.7
81.07040	2.0
81.16898	0.7
83.04980	1.4
84.08112	0.9
85.02914	14.7
86.09708	1.2
87.04443	2.1
91.03970	0.8
91.05486	9.0
93.07050	11.2
94.04192	1.2
95.04976	4.3
95.08604	0.9
97.02924	6.2
97.06514	0.7
99.04477	1.1
103.05470	8.3
105.04550	0.7
105.07030	2.7
107.04919	0.9
107.08556	1.1
109.02904	2.3
109.06516	1.7
109.10079	0.8
111.04460	1.8
115.05462	3.2
119.04961	2.9
119.08628	0.9
120.05769	0.8
121.06510	46.0
121.10096	1.0
122.03635	2.9
123.08108	1.2
127.03922	3.7
130.04143	1.0
131.04945	2.0
133.06471	1.1
135.04443	0.9
137.05988	50.9
138.09113	1.0
142.42470	0.6
143.04904	5.0
145.02924	1.2
145.05013	1.6
145.06497	2.3
146.03661	1.9
147.04420	3.4
149.05986	2.7
150.06891	0.9
151.03902	3.0
153.01747	0.7
158.03636	2.3
159.04486	1.2
161.05994	7.3
161.13297	0.7
162.06750	3.5
163.03954	2.2
163.07567	0.9
164.07111	1.2
172.05208	1.4
173.06012	6.0
175.03880	2.9
175.07585	3.8
177.05518	3.8
177.06894	1.1
178.07863	0.8
179.14273	1.5
183.87756	0.7
184.07448	0.7
186.03145	5.1
187.07607	1.3
189.05510	1.5
189.07060	2.1
191.06984	1.3
191.08554	0.8
201.05472	42.9
202.07809	1.0
203.07027	2.3
205.06509	7.2
206.07312	2.5
207.08119	1.5
213.05515	4.2
215.07083	1.3
217.06563	3.2
218.07210	1.8
219.04683	1.0
219.06552	2.7
219.08171	2.7
221.06082	1.5
221.09506	1.0
222.06831	3.3
223.07355	0.9
227.07097	1.6
230.08063	0.7
231.06529	2.2
233.06013	10.5
234.06799	10.4
235.07520	4.5
236.08266	1.0
237.09048	6.9
239.07167	1.0
245.05998	2.7
246.06870	1.3
247.07608	4.6
248.08327	1.7
249.05476	1.3
249.09135	7.2
250.06247	9.1
251.07054	3.2
253.08788	1.1
259.07425	1.4
259.09955	1.2
261.05594	3.1
261.09070	1.0
261.56149	0.7
262.06262	13.1
263.07028	4.5
264.07883	4.4
265.08606	18.2
266.09525	1.5
267.06442	1.3
273.05576	3.7
274.06064	1.2
275.07028	2.6
276.07974	1.7
277.08655	17.5
278.05786	3.5
279.06522	3.0
279.09912	3.7
281.08142	1.4
282.08792	1.4
283.09631	1.2
287.07126	2.8
290.02652	0.5
290.05750	15.7
291.06320	0.8
291.10306	1.3
292.07285	9.1
293.04944	1.5
293.08112	22.2
294.09070	3.8
295.06451	1.3
295.09686	3.1
297.11292	4.6
301.03430	1.0
302.04202	1.2
304.07242	1.5
305.08090	33.3
306.08771	1.3
307.06168	1.7
307.09616	31.2
308.09924	0.8
309.11304	3.4
310.08350	3.4
311.12686	2.2
313.03409	1.0
319.09778	2.6
322.08286	6.0
325.10727	76.6
329.32846	0.8
337.10709	42.9
338.14130	1.0
355.11786	17.2
356.14972	11.5
382.08575	0.8
403.72171	0.8
435.07208	0.9
462.19141	82.4
463.19510	2.0
474.19315	1.1
481.07700	2.0
492.20184	100.0
493.20654	1.4
565.38879	0.8
624.24152	2.2
654.24530	1.3
655.14081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01866	1.3
55.05518	0.4
57.03424	1.1
59.04978	0.4
61.02900	1.4
63.28996	0.3
65.03943	0.6
67.05502	0.4
69.03098	0.3
69.03430	5.1
70.06578	1.1
71.04994	0.6
71.53951	0.6
73.02908	0.7
75.70573	0.3
77.03899	0.4
79.05483	1.5
81.03421	2.3
81.07072	2.3
83.04986	0.4
84.08129	1.0
85.02907	9.8
86.09680	1.1
87.04442	0.8
91.03937	0.6
91.05479	7.1
93.07046	7.5
94.04195	2.5
95.04976	2.1
95.08569	0.5
97.02888	4.1
97.06522	0.4
98.97569	0.6
99.04436	0.7
103.05466	5.3
105.04482	0.4
105.06974	0.5
107.04937	0.9
107.08572	0.5
109.02866	1.2
109.06516	8.1
111.04429	0.5
115.05442	1.7
117.06982	0.4
119.04989	0.5
119.08556	0.4
121.06506	66.3
122.03644	5.5
122.06813	0.5
127.03910	2.0
129.06921	0.4
131.04936	0.5
133.10104	0.5
135.07999	0.3
136.07591	0.5
137.05978	84.1
138.06306	0.5
138.09143	13.0
141.03319	0.6
143.04933	0.8
144.05714	0.6
145.04967	0.9
146.05952	0.6
149.05980	0.6
153.05392	0.3
159.08055	0.5
160.05193	5.8
161.05965	2.3
164.07047	3.1
167.07040	2.5
169.52364	0.3
172.05144	1.9
173.06013	0.5
175.07545	15.1
177.05490	0.7
179.07118	0.4
186.03052	0.5
187.07536	7.7
188.08195	0.4
191.06970	1.6
193.12169	0.3
201.05397	46.6
203.07007	0.9
215.07146	0.5
216.04260	0.5
218.07785	0.5
219.08073	2.6
220.08876	0.3
222.11024	0.4
225.08856	0.4
230.08148	2.3
231.06512	6.3
233.09731	0.6
234.06706	1.4
235.07561	1.0
236.08365	0.4
237.09193	0.5
245.06085	0.4
247.07539	2.9
248.08229	0.8
249.09085	2.3
251.06964	0.7
251.10632	1.9
253.08618	0.8
261.09155	1.6
262.06171	1.3
263.07031	1.5
264.07718	1.8
265.08664	1.7
266.09418	0.5
266.81903	0.5
268.07321	0.7
277.08585	6.0
278.09161	0.5
279.06512	1.0
279.10132	4.4
281.08252	1.0
283.09665	2.2
293.08215	0.6
294.08795	2.2
295.09525	1.2
296.10422	9.7
297.11096	0.4
305.08069	3.7
306.08780	0.6
309.11200	4.6
311.12741	5.2
322.08185	0.8
325.10428	0.4
337.10687	6.6
338.13867	17.9
341.13892	0.7
350.13748	2.0
354.13391	0.6
355.11758	17.5
371.14542	0.5
423.13388	0.3
451.85727	0.4
474.19135	14.7
492.20172	100.0
493.20374	1.5
517.16754	0.5
617.39801	0.4
636.24457	2.4
637.23694	0.4
654.25519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08970	0.5
51.34682	0.5
55.05512	1.0
57.07056	0.7
58.06599	5.9
61.85991	0.5
67.39390	0.5
69.07063	1.4
72.08167	3.0
73.06575	1.3
78.88863	0.6
81.07059	0.5
83.04974	1.3
86.09711	27.7
100.11260	100.0
101.06008	2.6
103.50957	0.5
109.02796	0.5
128.10732	1.0
136.91768	0.5
138.78979	0.6
139.99034	0.5
146.11807	2.2
154.15846	3.2
168.13841	1.0
172.13373	1.6
186.14949	0.9
200.16434	1.0
214.14519	0.8
225.15797	0.6
228.16002	5.6
256.41571	0.6
285.21704	4.5
313.21295	0.7
313.24756	7.7
327.22717	0.8
341.24350	11.2
409.26852	0.8
454.32904	2.3
472.33847	6.9
498.35120	0.9
540.36664	1.0
625.45380	33.0
653.28925	0.7
653.44739	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	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27013	1.2
51.57844	1.3
67.05503	1.8
69.46621	7.3
79.05476	1.5
88.51469	1.2
91.05497	2.1
93.07040	1.7
107.04978	1.4
197.10841	1.6
208.09908	1.6
210.11592	2.9
211.12405	2.0
212.90250	1.3
223.12343	2.1
225.13918	6.1
226.14494	1.8
235.12244	1.9
237.13898	3.6
238.14760	1.6
239.15431	2.8
249.10278	1.9
249.13945	1.4
275.15524	1.9
277.09918	2.7
326.12714	1.3
337.11795	1.5
353.15457	1.3
366.15973	1.8
396.13321	2.3
401.17511	2.3
402.18561	2.0
412.16855	1.5
429.17288	3.1
430.17950	2.3
431.18152	2.1
443.19125	1.8
444.19504	2.7
445.20087	4.8
446.21054	4.1
447.21686	5.0
454.17511	1.9
457.16248	1.7
459.22360	7.0
463.83667	1.2
471.17773	1.5
475.21188	3.0
487.21545	11.9
501.22787	3.8
503.20267	2.3
515.20685	5.2
519.23688	4.6
529.22217	4.9
531.20105	1.6
533.26013	6.5
535.23187	1.6
547.23157	2.3
561.25031	92.5
562.25189	3.3
589.24463	10.5
621.27142	100.0
622.27716	2.2
653.29352	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	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26389	3.6
69.26813	5.9
76.29292	0.9
98.21577	2.0
125.75330	1.0
197.85382	1.1
219.78600	0.9
233.06824	1.0
234.49760	1.0
293.96609	1.1
375.12241	1.1
390.18686	1.3
391.19333	3.5
392.20157	1.9
405.20670	8.2
406.21469	7.4
407.22632	1.3
419.22870	1.5
420.22888	5.0
421.23929	10.6
433.20251	3.2
434.25186	1.5
435.18018	1.2
436.19095	2.0
445.20401	1.9
447.21786	1.2
449.19501	1.2
450.20569	1.9
451.21310	1.3
460.22974	2.2
465.22870	36.7
473.19766	1.8
475.24985	1.6
479.18277	1.2
479.24438	6.0
480.25500	3.7
487.21393	3.1
488.22192	3.5
501.22855	1.7
503.24414	39.6
504.23276	1.1
505.22208	1.6
507.27832	3.4
535.27100	30.3
551.26678	4.2
561.24963	2.6
579.26099	32.1
580.26398	1.6
588.83533	1.1
594.28394	14.3
621.27051	18.8
653.29706	100.0
654.30499	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	653.2971
Annotation	Haplophytine
Peak:m/z	Relative Intensity
70.82507	2.9
82.31559	1.1
131.25069	1.1
151.27257	0.9
354.71298	1.2
356.99918	1.2
389.17618	1.3
390.18573	1.4
391.19153	1.9
403.19290	2.4
404.19968	3.5
405.20633	10.3
414.22009	1.2
417.21255	2.5
419.22369	7.8
420.23004	4.6
431.22647	2.3
433.23917	5.0
445.20053	1.6
447.26089	1.9
449.19464	6.1
450.20386	2.3
462.20044	1.1
463.21234	5.9
464.22205	4.3
465.23071	1.7
473.19775	1.4
475.21353	3.3
477.22894	3.2
478.23676	3.7
479.24466	31.4
487.21539	3.4
491.20728	1.4
491.24857	1.3
492.25333	2.1
501.23038	3.5
502.23669	2.0
506.27026	1.3
507.27625	17.4
519.23975	1.8
531.20367	1.3
533.25574	5.4
534.25598	1.3
537.24890	10.2
551.26477	24.9
552.26276	1.3
561.25055	5.6
565.28070	17.8
566.28870	62.2
567.29279	2.4
575.26886	1.9
593.27637	6.8
621.27112	11.4
635.28943	3.0
635.59186	1.1
653.29724	100.0
654.30469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44742	0.3
61.16678	0.3
62.00035	0.2
70.65194	0.8
71.51795	0.3
84.08144	0.3
85.02875	0.3
86.09728	0.3
100.00822	0.3
105.07046	0.4
108.41823	0.3
124.20230	0.3
135.77686	0.3
183.27913	0.3
185.04283	0.6
203.05276	1.5
243.23816	0.3
251.12593	0.4
259.07928	1.6
325.16223	1.9
347.09491	1.3
359.00711	0.7
365.10519	2.2
377.01822	5.1
394.98282	0.3
395.02643	1.6
421.13208	1.0
487.21533	23.8
547.07526	0.5
649.11670	5.2
649.26788	100.0
650.12433	0.5
650.27075	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.1
56.05036	0.7
57.07066	0.1
58.06627	0.6
59.07396	0.2
60.08167	6.1
62.93198	0.1
67.05516	0.5
69.38297	0.6
69.38708	0.3
70.06590	0.1
71.07379	3.4
71.08630	0.1
81.07047	0.3
83.08630	0.1
85.38213	0.1
86.09711	30.5
93.07007	0.1
94.90731	0.1
98.98472	2.9
104.10747	2.8
109.10200	0.2
123.07274	0.1
125.00011	20.5
169.84607	0.1
184.07349	100.0
185.07661	0.3
223.79778	0.1
284.28009	0.1
496.33710	0.2
512.55176	0.1
650.43915	9.2
651.43469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.05515	21.2
57.03428	9.3
57.07076	5.9
62.39906	2.7
65.03946	3.9
66.03510	2.8
67.05510	100.0
67.96259	2.9
69.03432	25.4
69.07060	14.8
69.76326	3.3
71.04979	6.4
71.53431	4.1
71.53804	4.2
77.44350	3.8
79.05499	29.5
81.03420	30.5
81.07060	53.6
83.04993	19.6
83.08600	11.8
85.02926	3.5
86.09710	4.8
91.05492	28.7
93.07041	29.2
95.04951	8.2
95.08618	34.8
97.02895	10.7
97.10146	8.4
99.62968	3.1
105.07028	25.3
107.04948	5.4
107.08607	20.9
109.06557	3.5
109.10162	59.8
111.04436	5.9
111.08111	4.4
117.06979	10.3
119.08606	17.8
121.10143	13.7
123.11699	5.6
125.00015	3.1
125.09641	7.3
127.03931	6.1
129.05493	6.1
129.06949	4.6
131.08583	19.4
133.06461	4.0
133.10114	13.2
135.08023	4.4
135.11681	9.5
137.09679	4.4
143.08611	8.0
145.10077	10.6
147.08041	4.1
147.11650	9.4
149.13263	5.5
155.08501	5.1
155.10646	6.2
157.10181	7.7
159.11687	9.8
161.09657	3.6
161.13191	7.1
169.10106	4.5
171.11743	7.8
173.11772	8.9
173.13206	6.9
183.11705	5.0
184.07385	16.1
185.07716	5.7
213.12790	5.4
227.12715	7.3
229.14363	32.3
261.22174	5.9
273.22256	4.1
297.58682	3.2
301.21637	5.2
335.25745	10.4
337.27643	3.7
351.23502	7.6
369.24313	9.2
371.17120	4.0
387.25150	7.3
403.56729	3.8
461.29056	6.4
479.29749	5.2
489.35730	8.5
597.38031	5.6
611.47888	3.5
615.38892	11.2
633.40070	36.7
651.42419	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	645.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
55.05515	2.6
56.96569	4.2
57.03437	2.0
61.02915	1.5
66.11367	1.5
67.05495	5.2
69.03429	3.2
69.07059	2.9
70.43866	5.2
71.04988	2.3
77.03075	1.4
79.05497	6.0
81.03418	3.0
81.07056	4.3
83.04990	1.8
83.08571	1.7
85.02907	6.4
85.06575	2.4
87.23661	1.4
89.03934	2.4
91.03997	1.4
91.05495	4.5
93.07049	2.9
94.06573	3.3
95.04981	3.3
95.08588	3.7
97.02911	3.8
97.06526	5.7
98.97584	3.9
105.07029	4.5
106.06570	5.2
107.07345	5.6
107.08574	2.4
108.08114	13.6
109.10148	3.0
111.04471	2.1
116.98676	2.4
120.04482	2.2
120.08096	9.7
122.06043	11.1
122.09673	39.7
122.10504	2.8
131.00201	2.1
133.10098	1.7
134.06024	5.1
136.07602	12.5
138.05501	2.4
145.02864	1.9
146.05995	16.1
146.09601	1.8
148.07561	16.6
149.01173	1.7
150.05534	6.2
150.09172	6.2
152.07080	6.8
154.05028	3.6
162.05484	9.5
162.09111	3.4
163.03856	2.8
163.11186	2.3
164.07086	10.6
164.10715	23.4
166.08617	15.3
172.03983	9.7
174.05540	5.3
176.07100	4.6
190.05014	7.1
192.06572	3.7
192.10208	2.6
203.11783	2.3
204.06528	7.8
209.10828	1.8
210.11522	6.4
211.12312	3.5
213.13947	2.1
215.07182	2.8
217.13495	7.7
218.15419	1.8
222.11429	3.1
223.12314	3.2
225.10315	3.2
226.10902	2.0
227.11848	3.6
235.12323	2.7
237.10229	6.6
237.13857	2.4
238.11028	5.0
239.11772	6.0
244.18462	2.0
245.13017	1.9
248.09492	5.7
249.10300	10.0
250.11052	6.1
251.11850	10.2
253.13448	5.5
255.11308	2.6
255.14977	2.6
259.09671	3.8
262.10959	2.6
263.11838	23.9
264.09055	2.6
264.12622	6.1
265.09811	8.6
265.13266	9.0
266.10571	5.5
267.08859	2.4
267.11304	6.9
269.12875	7.8
271.10815	3.2
271.14450	6.0
275.11642	2.1
277.09738	7.1
277.13025	1.6
278.10550	6.9
279.11282	46.5
280.12067	4.7
281.12875	10.5
282.10138	2.5
282.13559	2.6
283.11047	2.6
283.14340	4.6
284.11642	3.6
285.09827	2.9
285.12579	3.0
287.05713	3.2
291.11288	13.8
293.12814	15.4
295.10846	5.3
295.14279	1.7
296.11548	6.4
297.12387	26.1
297.15683	2.1
299.13937	2.2
307.10880	3.6
309.12335	89.1
310.12906	4.2
311.13760	8.3
319.10605	13.4
321.12354	7.3
323.13837	2.3
325.11877	12.2
327.13495	5.2
330.15881	2.5
331.15887	1.9
337.11819	78.6
338.12421	3.7
339.13351	19.6
357.14575	4.2
369.14398	17.5
370.15350	3.7
371.16061	5.8
373.14008	2.3
374.14969	5.4
384.13541	1.9
397.22406	2.3
398.14914	2.3
418.21371	11.3
426.14191	10.5
428.19443	2.5
430.21429	3.0
434.17010	5.4
442.17786	2.2
446.20764	100.0
447.21494	3.3
458.17227	3.9
460.18625	6.6
462.16592	3.1
472.18015	2.6
476.22238	2.0
478.23422	28.7
486.16757	7.2
488.21863	30.9
488.82404	1.9
494.18585	3.1
501.17169	1.9
513.17511	2.8
520.24316	12.5
551.25897	3.5
569.27600	3.0
571.25311	2.4
577.24072	2.2
585.26263	2.2
595.25525	66.9
601.28870	9.1
613.26575	61.7
614.26898	2.1
627.27631	7.8
645.28979	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	645.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.6
67.05509	0.8
69.03437	0.7
69.47174	3.7
70.06596	1.3
81.03432	0.8
81.07072	1.1
84.04498	0.9
84.08118	0.7
84.96041	2.1
85.02911	1.5
86.09672	1.4
91.05495	0.9
95.08614	0.9
97.02905	1.3
98.97590	32.4
102.85076	0.5
104.50052	0.6
105.07063	0.6
107.08617	1.4
109.10168	1.0
110.97566	3.8
112.99142	3.2
114.09107	0.5
116.98627	9.6
119.08621	0.7
123.11703	0.8
124.99111	4.3
128.98630	2.4
131.00146	2.7
133.10106	1.0
134.99721	1.1
140.98680	0.9
141.02237	1.3
143.00159	6.2
145.04991	0.6
146.99687	1.1
151.11197	0.7
152.98563	0.8
156.98151	0.9
158.99667	4.4
159.03279	1.1
161.01253	4.8
170.99702	3.9
173.01285	1.0
177.00774	2.7
182.08153	0.8
182.99644	4.2
183.03311	1.6
189.00740	5.4
191.02245	0.9
201.00717	6.8
201.04445	1.7
207.01775	0.9
213.00777	1.8
213.07892	1.2
215.05870	0.7
219.01787	12.3
223.06363	1.1
231.01865	2.6
233.06786	0.7
237.02808	4.5
239.09619	2.4
241.07552	1.5
247.10231	0.9
249.02829	10.8
251.08641	0.6
265.11151	4.8
267.03802	4.1
283.09052	0.9
283.12173	4.3
285.17068	1.4
286.17328	1.6
291.03888	21.5
301.13370	1.9
305.05396	4.6
307.12201	4.8
309.04959	1.5
321.13928	0.9
325.13193	4.9
333.05084	3.2
343.14386	1.2
347.11615	4.4
351.06262	0.8
365.12433	1.3
367.14322	1.1
381.12134	0.9
427.16476	4.7
437.06577	1.5
439.16711	3.5
445.17560	4.8
469.17331	3.3
487.18683	1.4
559.20697	17.6
577.21857	1.0
601.22040	19.1
613.21692	0.9
627.21179	0.8
645.21552	100.0
646.22247	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01870	1.0
56.96560	2.6
65.03925	2.4
67.05481	2.8
70.77518	1.5
70.77863	2.2
73.02911	0.9
79.05481	2.9
81.03412	1.5
81.07038	1.4
81.40936	0.9
82.28519	1.0
83.04964	2.7
85.02899	3.5
86.06048	1.6
91.05482	4.8
93.07044	1.9
94.06558	4.1
96.04472	2.1
97.06519	3.3
98.97569	2.2
102.21784	1.0
105.07019	2.1
106.06535	4.4
107.07344	8.3
108.04482	1.2
108.08109	3.7
110.06004	1.9
110.09675	1.2
111.04454	1.2
116.10748	1.9
116.42580	1.1
118.06551	1.0
119.08577	1.1
120.08069	3.3
122.06056	6.6
122.09667	65.5
123.09964	1.3
124.03946	2.0
127.03946	1.1
131.00166	1.5
134.06010	16.7
136.07585	12.0
136.11249	1.2
138.04468	1.5
138.05495	20.8
145.02844	1.3
146.06012	1.7
146.09647	1.6
148.07524	2.5
149.01190	1.4
149.08333	1.2
150.05487	1.6
150.09154	1.9
152.07089	1.3
154.04955	5.7
160.04019	1.2
162.05508	58.7
163.03879	2.5
164.07068	9.8
164.10718	33.2
166.08618	8.6
172.03941	1.5
176.07042	1.2
178.08565	1.1
188.09361	1.0
189.13878	1.2
190.05023	1.5
204.06555	2.0
206.08147	1.2
209.10698	1.8
210.11356	1.5
211.08600	1.8
211.12317	2.0
213.10110	1.2
215.06973	2.0
217.13368	13.3
218.08173	1.0
218.13763	1.3
221.10574	2.4
222.11436	3.1
223.08669	6.4
223.12273	3.0
224.09297	1.4
224.12994	1.5
225.10222	19.5
225.13884	2.6
226.10924	1.8
227.11748	3.0
229.13225	1.2
235.08704	4.0
235.12279	2.3
236.09442	2.4
237.10202	13.1
237.13805	3.5
238.10976	5.5
239.08052	2.3
239.11784	11.1
240.12730	1.3
241.13345	1.4
248.09438	8.2
249.10204	12.9
250.10979	12.4
251.08125	8.1
251.11792	30.7
252.08908	1.7
252.12567	6.9
253.09789	3.7
253.13269	5.8
254.10345	2.0
255.11360	2.4
257.13031	1.8
259.09641	4.1
261.10214	2.1
262.10947	2.8
263.11801	39.9
264.08997	2.6
264.12463	8.4
265.09732	10.5
265.13324	23.9
266.10400	5.7
266.13998	3.0
267.11267	5.1
267.14868	3.4
269.10358	2.0
269.12854	4.4
276.09189	1.3
277.09747	3.9
277.13300	1.2
278.10449	7.8
279.11288	19.6
280.11877	4.6
281.12784	16.0
283.08368	1.3
283.10840	13.5
284.11447	1.3
285.12262	3.5
287.13983	6.8
288.45578	1.0
291.11240	11.0
292.11972	2.9
293.05603	2.3
293.09500	2.1
293.12747	12.5
294.13596	1.5
295.10736	5.0
295.14081	1.8
296.11533	17.8
297.12277	17.3
298.13010	4.7
298.20105	2.3
299.13989	1.8
299.20584	2.4
306.09793	1.4
307.10724	5.1
309.12326	64.3
310.13126	4.6
311.13919	30.4
313.11862	2.9
313.15363	1.3
319.10800	5.3
321.12238	4.3
323.10358	1.7
323.13925	1.7
325.11871	9.4
325.15222	1.5
326.12717	1.4
327.13345	5.2
331.14948	1.2
336.14676	1.2
337.11792	24.8
338.12399	4.5
339.13391	11.0
341.14926	6.7
351.13351	3.7
353.14923	4.1
355.12845	2.7
356.13846	2.2
357.14459	12.9
359.16217	1.3
367.12924	2.2
368.13358	3.0
369.14444	100.0
370.15460	5.1
371.16034	38.0
372.16266	4.6
393.91290	1.0
398.14917	1.3
411.15601	2.2
412.16183	4.3
414.18011	2.7
428.19333	1.6
432.19516	4.7
434.17160	3.6
442.17767	1.5
444.15408	2.3
446.20657	2.8
450.10257	1.1
450.16541	2.7
456.19049	1.5
458.16904	1.3
460.18591	5.9
462.16568	30.7
466.19693	4.5
474.20352	2.1
477.21756	4.0
478.22888	9.0
482.19153	2.8
486.16498	7.5
487.18591	1.5
488.22070	1.7
492.21478	14.3
494.19208	74.2
495.19464	1.3
501.16959	4.3
504.17572	6.2
506.22403	1.3
518.19220	45.1
524.20160	2.3
536.20331	41.9
547.16852	1.1
547.25311	1.2
551.26434	3.7
577.24182	1.4
583.28918	3.8
585.26331	2.7
595.25598	13.6
613.26544	43.9
614.26855	1.9
627.27789	13.7
645.29150	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	645.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42648	0.4
56.96576	5.7
61.24989	0.4
67.05486	0.9
69.03426	1.1
69.07069	0.7
69.46542	3.7
70.06599	1.1
71.95304	0.5
73.02926	0.5
79.05495	1.1
81.07056	0.9
83.05000	0.8
83.08659	0.5
84.96035	1.8
85.02900	1.4
86.09721	1.0
89.90321	0.5
91.05497	1.1
95.04979	0.6
97.02882	0.8
98.97594	29.8
107.08612	0.9
109.06493	0.5
109.10162	0.9
110.97578	3.7
112.99168	2.1
113.25962	0.5
116.98637	9.5
119.08600	0.7
124.99125	2.0
128.98639	2.0
131.00212	1.9
131.08501	0.7
133.10168	0.7
134.99673	2.1
136.07544	0.6
140.00223	0.7
140.98576	1.2
141.02190	0.9
143.00189	5.3
146.99699	0.7
149.01256	0.9
152.98633	0.9
156.56427	0.5
156.98116	1.5
158.99660	5.0
159.03294	0.7
161.01227	3.2
164.06992	0.5
166.01804	0.6
170.99654	4.9
173.01265	1.1
174.99167	1.0
177.00769	2.6
182.08115	0.8
182.99675	3.9
183.03291	0.9
185.01321	0.7
189.00764	4.9
191.02286	0.6
193.12271	1.0
197.04878	0.7
201.00705	6.8
201.04407	1.2
207.01706	1.2
213.00729	1.0
215.05876	0.7
219.01796	9.4
221.08510	0.6
223.06436	1.1
231.01778	3.5
237.02840	4.3
239.09624	2.8
241.07556	1.5
243.01840	0.6
249.02867	11.0
257.10684	0.8
265.11096	5.3
267.03976	3.1
272.04599	0.6
283.12207	4.1
285.17038	1.8
286.17419	1.6
289.11240	0.8
289.14581	0.6
291.03894	19.3
301.13351	2.0
303.04031	0.6
305.05444	4.3
307.12076	3.5
309.05124	1.9
319.12335	1.5
325.13248	3.3
332.06613	0.6
332.11423	0.6
332.61621	1.1
333.04861	3.6
337.13147	0.6
343.14575	0.8
347.11749	4.0
349.13156	0.7
351.05905	1.0
365.12698	1.1
367.14444	0.6
409.15448	0.9
417.11191	0.7
419.05826	0.7
427.16409	3.6
437.06439	0.9
439.16559	2.0
445.17450	5.1
469.17560	2.5
487.18768	1.1
541.19897	0.6
559.20660	16.5
601.22205	18.2
627.21222	0.5
645.21570	100.0
646.21716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.3
53.03941	0.7
55.01870	1.2
55.05512	3.5
57.03439	4.9
59.05004	0.3
59.91998	0.3
61.02927	5.2
66.81174	0.3
67.05508	5.5
69.03433	2.1
69.07072	1.8
69.71468	1.9
70.06599	0.4
71.05003	1.8
73.02921	2.2
79.05495	5.6
81.03423	22.6
81.06596	0.4
81.07063	7.2
81.40931	0.3
83.04985	4.7
83.08624	8.7
85.02910	14.6
85.06564	0.5
86.09686	0.8
87.04483	0.5
91.03956	4.7
91.05490	8.0
93.07053	4.0
95.04374	0.5
95.04968	7.9
95.08607	2.4
97.02902	4.2
97.06532	1.0
97.10173	1.0
98.97614	0.4
99.04444	0.7
99.08082	0.5
105.07039	6.0
107.04964	2.1
107.08598	2.0
109.06506	1.5
109.10148	0.8
111.04446	1.1
111.08083	4.3
113.06017	0.9
115.03925	0.5
117.06978	0.3
119.04934	0.6
119.08585	5.9
121.06455	0.3
121.10150	3.2
123.08061	0.7
125.09665	0.4
127.03911	1.6
129.07034	3.0
131.08582	3.8
133.06490	0.9
133.10159	4.2
142.07770	0.5
145.04953	2.0
145.10167	0.3
147.08070	1.1
147.11694	6.8
149.09598	1.9
157.10141	5.4
163.06017	3.1
163.11160	0.4
165.12852	1.5
169.18483	0.4
175.11214	6.2
184.07335	0.3
193.12253	20.2
211.13315	16.4
211.14931	0.2
219.10294	0.4
249.14874	0.3
267.15973	6.9
285.16977	100.0
286.17294	1.3
346.68121	0.3
361.02402	0.7
379.03104	0.4
383.08151	0.9
411.20331	0.8
429.21292	1.9
447.22412	3.2
501.03958	0.3
662.09277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01870	0.6
55.05519	2.6
57.03191	0.3
57.03444	2.8
60.04502	0.3
61.02647	0.4
61.02931	4.6
67.05183	0.3
67.05514	4.3
69.03432	2.1
69.07083	1.3
69.63268	1.5
70.06587	0.5
71.04636	0.2
71.04993	0.9
72.08147	0.3
73.02921	1.7
77.03951	0.3
77.34701	0.3
79.05075	0.4
79.05500	5.0
81.03424	22.3
81.07065	5.4
83.04989	3.7
83.08628	9.1
84.08141	0.3
85.02912	11.2
85.06573	0.2
86.09701	0.5
91.03405	0.4
91.03961	4.9
91.05488	6.4
93.07050	3.4
95.04372	0.5
95.04973	9.3
95.08613	2.1
97.02301	0.4
97.02900	4.7
97.06535	1.2
97.10181	1.3
98.21522	0.5
99.04430	0.4
99.08107	0.3
102.97150	0.3
105.07041	4.7
107.04977	1.7
107.08601	1.6
109.02900	0.5
109.06521	1.3
109.10149	0.7
109.43797	0.2
109.55438	0.3
111.04443	0.7
111.08099	4.2
113.06001	0.7
115.03905	0.3
115.05409	0.4
117.07018	0.5
118.98934	0.2
119.04923	0.3
119.07797	0.4
119.08598	4.9
121.06551	0.5
121.10158	2.6
123.08092	0.6
123.11742	0.4
125.09590	0.3
127.03960	2.4
129.07027	2.8
129.94070	0.2
131.08578	2.9
133.06493	1.0
133.10144	3.2
137.05939	0.7
137.09595	0.2
142.07816	0.6
145.04955	2.7
145.10138	0.5
147.08054	1.0
147.11700	5.6
149.09650	2.1
157.10126	5.1
163.06030	4.4
163.11145	0.3
165.12775	1.1
175.11211	6.6
184.07336	0.6
193.12259	27.8
210.08797	0.3
211.13304	23.3
229.14314	1.0
257.53784	0.3
267.15936	14.5
283.71503	0.3
285.16983	100.0
286.17334	1.0
303.17984	1.2
309.17084	0.5
315.05020	1.5
316.05338	1.7
411.20151	0.5
429.21201	2.6
447.22339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
58.99877	1.5
67.05507	7.6
69.07066	2.7
71.53971	1.1
77.00904	3.1
79.05504	5.0
81.03403	2.0
81.07061	4.9
83.04989	1.4
83.08625	1.2
85.02909	1.1
91.05483	3.6
93.07059	4.5
95.01954	2.9
95.04977	1.2
95.08615	4.5
95.40298	0.9
97.01488	0.9
105.00396	1.4
105.07060	6.3
107.04999	1.2
107.08621	1.9
109.06456	1.0
109.10169	2.7
112.56466	0.8
113.00905	1.5
115.02382	0.9
117.07026	1.8
119.08605	3.1
121.06532	0.8
121.10159	1.8
125.09673	0.9
131.01936	4.8
131.08591	1.7
133.10159	2.3
135.11736	1.5
141.04010	1.7
145.10153	1.3
147.11684	1.9
155.05516	1.2
156.02710	1.8
157.03491	1.8
159.11720	1.0
167.05640	1.5
169.03500	4.6
169.07225	1.0
171.05090	1.4
173.06668	3.3
174.03763	0.9
175.14825	0.8
180.37915	0.9
182.04247	3.8
183.08604	1.7
185.06615	2.9
186.07396	2.1
187.04639	1.5
187.08220	2.6
191.07690	1.3
195.05098	3.5
196.05910	1.8
197.06635	1.7
199.08200	1.6
201.09740	6.1
203.07523	0.9
204.08614	0.9
205.07120	2.6
205.09116	1.0
206.07841	1.6
207.05040	4.2
207.08719	1.1
209.06625	1.8
211.08197	3.0
212.05435	1.5
213.09669	5.1
215.11348	2.4
219.10829	2.5
221.06651	1.8
223.08177	16.8
223.11862	1.6
224.08957	11.1
225.09720	6.0
227.11310	2.2
229.09299	3.2
231.10730	4.0
237.09807	0.9
237.13266	1.1
239.11354	2.9
241.09229	58.2
242.10011	25.7
243.10846	9.6
243.13191	0.9
243.14412	1.7
245.12459	1.5
247.10445	1.8
256.08014	3.2
257.12427	1.1
259.10257	9.4
259.20581	1.5
260.11050	6.4
263.11337	2.5
264.10645	6.8
265.11508	2.4
266.12616	1.5
269.12592	1.7
274.09097	2.5
275.20120	1.0
277.12787	1.1
281.12433	1.5
282.13199	2.3
283.13919	1.9
291.18225	2.6
295.13986	2.1
297.17038	1.5
313.16534	1.1
315.18073	20.8
333.19122	63.8
334.19284	1.9
349.18762	1.3
350.18723	1.0
351.20197	100.0
352.20425	1.7
353.20364	1.5
356.20734	4.5
367.25220	1.0
369.21384	3.4
374.21762	21.0
375.22235	1.2
545.38434	1.3
625.39185	5.2
643.40594	95.3
644.41034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
64.39439	0.4
65.28905	0.4
67.05471	0.6
69.03394	0.4
69.07061	0.6
69.79108	2.2
76.81456	0.4
79.05461	0.6
81.03384	0.6
81.07025	1.2
83.04964	0.5
83.08616	0.5
91.05454	0.5
93.07025	0.6
95.08563	0.8
98.21447	0.5
105.07027	0.9
107.08559	0.5
112.58971	0.4
119.08565	0.6
154.65024	0.4
396.12170	0.8
397.13162	1.5
398.13696	0.6
409.13123	0.5
410.13779	2.8
411.14594	4.9
412.15298	3.7
413.15979	2.6
423.14688	1.2
424.10941	1.1
424.16324	2.1
425.16336	11.2
426.17059	8.1
427.17673	1.7
428.18488	1.5
437.11526	0.6
437.16492	0.7
438.12289	3.1
439.13620	14.8
440.19070	4.5
441.19351	37.8
442.19586	1.7
451.13455	0.9
452.14133	3.2
453.15393	17.3
454.16043	4.6
457.15161	0.7
458.15570	0.7
463.14328	0.6
465.15378	0.8
466.12311	0.7
467.17151	25.6
468.17972	15.0
469.18881	11.7
471.16653	0.8
472.17746	0.6
480.17194	0.8
481.14706	13.5
482.15253	3.2
483.16687	0.6
484.17319	0.7
485.18408	0.7
486.18942	0.6
494.16980	0.5
495.16785	2.8
495.21619	0.6
496.17249	11.0
497.18149	1.9
498.19269	0.8
499.19778	1.3
508.19894	0.5
509.18365	3.1
512.20422	0.9
514.22424	3.1
522.17493	0.6
523.19531	2.2
524.20752	0.5
525.17902	0.7
527.23743	2.4
537.19940	0.7
542.21375	0.8
555.22449	31.4
556.22449	1.2
568.19452	0.8
583.21930	100.0
584.22046	3.6
586.20044	0.5
587.24872	1.4
611.21545	1.4
614.23700	0.5
615.24524	14.4
643.23993	78.9
644.24146	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	642.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.74400	1.3
55.01879	2.0
55.05515	10.0
57.03431	3.9
57.05116	1.6
57.07079	22.1
64.83556	1.5
67.05507	33.4
69.07075	13.7
69.56008	9.1
71.04987	2.1
71.08639	20.3
79.05489	16.7
81.07059	34.8
83.04967	5.9
83.08608	11.9
85.06557	1.7
85.10192	8.8
91.05515	9.9
93.07052	17.2
95.04977	5.6
95.08611	23.3
97.06534	3.5
97.10185	4.4
98.20842	2.2
99.08102	2.7
105.07037	4.7
107.08567	7.9
109.10168	10.5
111.08054	2.1
117.07023	3.5
119.08554	3.3
121.10125	4.5
123.11713	4.0
131.08568	5.8
133.10115	5.6
135.11700	4.4
147.11711	2.5
149.13213	5.3
151.11147	4.1
159.11696	3.4
163.11090	3.1
182.80200	1.5
195.13768	4.0
227.12663	2.1
229.14334	1.6
239.23854	2.4
241.19614	1.8
251.16351	2.2
258.77722	1.7
269.17453	12.8
277.21591	5.1
313.27377	31.0
325.21750	1.8
351.25323	11.8
467.37338	3.7
507.40485	100.0
589.48163	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	642.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01869	1.3
55.05518	2.7
57.03437	2.4
57.07078	0.3
59.04997	0.4
60.04483	0.3
61.02933	3.3
67.05503	4.2
69.03415	1.3
69.07075	1.6
70.06586	1.1
71.04986	1.4
71.54003	0.3
73.02927	1.5
74.36422	0.3
77.03894	0.3
79.05499	5.8
81.03425	2.5
81.07057	6.1
82.03761	0.4
83.01343	0.4
83.04980	1.4
83.08622	3.1
84.08156	0.5
85.02904	3.8
85.06515	0.3
86.09691	1.1
87.04471	0.5
91.03957	2.5
91.05476	2.4
93.06492	0.6
93.07050	9.8
95.04978	2.1
95.08614	10.8
97.02895	3.0
97.06537	2.0
97.10170	0.5
99.04446	1.8
99.08102	0.3
103.05484	0.3
105.07034	2.9
107.04977	3.3
107.08603	8.4
109.02870	0.5
109.06520	1.4
109.10155	1.1
111.04439	0.8
111.08118	0.7
115.03966	0.4
115.08679	0.4
117.07027	2.5
119.08592	4.1
121.06529	2.4
121.10152	4.0
123.08043	0.4
124.99954	0.5
125.06009	1.4
127.03961	0.9
129.05559	0.3
130.07834	0.3
131.08568	1.0
133.10114	1.0
135.08090	0.8
135.11699	18.1
137.06021	0.4
139.07530	0.7
139.11176	0.3
145.04967	0.8
145.10127	10.9
147.11537	0.4
153.05487	0.3
153.12769	0.7
163.05988	1.4
163.11189	28.4
173.09575	0.6
181.12236	6.4
184.07353	1.4
191.10661	0.4
193.12260	0.6
209.11690	1.7
227.12794	38.3
228.13170	0.3
244.23958	0.3
259.09851	0.6
283.15411	100.0
284.15692	0.7
285.16791	0.5
286.17175	0.7
301.16425	2.0
348.27606	0.3
427.19620	0.6
444.33380	0.4
445.20743	2.3
497.11209	0.4
624.22845	0.3
639.96082	0.3
642.24567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35584	0.2
53.03940	0.5
55.01877	1.0
55.05515	2.1
57.03441	1.6
61.02929	2.5
67.05497	2.2
69.03432	0.7
69.07062	1.1
70.06585	0.5
71.04994	0.7
71.52615	0.4
72.08146	0.3
73.02940	1.5
79.05499	5.5
81.03434	2.2
81.07062	4.3
83.01355	0.3
83.04994	1.2
83.08625	2.8
84.08111	0.3
85.02904	4.2
85.06541	0.4
86.09691	1.0
91.03967	1.9
91.05486	1.6
93.07051	7.7
95.04959	1.9
95.07989	0.4
95.08608	7.9
95.87943	0.3
97.02888	2.9
97.06551	1.4
99.04470	1.6
105.07063	1.4
107.04973	2.7
107.08604	6.2
109.02893	0.4
109.06537	0.4
109.10172	1.1
110.07233	0.3
111.04457	0.6
111.08076	0.5
115.03896	0.3
117.07031	1.8
119.08593	3.4
121.06504	1.6
121.10147	4.2
123.04488	0.3
123.08040	0.4
123.11708	0.3
125.05981	0.9
127.03912	0.8
131.08559	0.5
131.31917	0.3
133.10133	0.8
135.08086	0.5
135.11700	15.3
139.07516	0.6
145.04956	0.7
145.10138	8.0
153.12735	0.8
163.03859	0.4
163.06003	1.5
163.11192	23.7
173.09656	0.6
181.12244	6.3
184.07350	1.1
186.68590	0.3
191.10611	0.6
193.12294	0.5
209.11662	1.6
227.12794	36.3
252.09299	0.3
259.09735	0.7
283.15408	100.0
284.15894	0.5
285.16995	0.5
286.17383	0.4
301.16534	1.8
315.98581	0.3
348.27155	0.3
361.73288	0.3
427.19525	0.7
445.20746	2.5
497.11288	0.3
505.97510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05502	0.6
67.05495	1.5
69.07063	0.7
70.46070	0.4
71.08614	0.6
71.91570	0.4
79.05492	1.4
79.28320	0.4
81.03407	0.5
81.07072	2.3
83.08622	0.7
90.10324	0.5
91.05483	1.3
93.07040	1.6
95.08591	1.3
98.20663	0.8
105.07036	1.3
107.08593	0.8
109.10146	0.9
110.35672	0.4
117.06962	0.7
119.08570	1.4
121.10180	0.4
125.09682	0.6
131.08618	1.0
132.99577	0.4
133.10147	0.4
173.13297	0.4
179.14380	0.6
256.41730	0.5
275.20010	0.6
277.21609	0.6
289.21674	0.6
335.25772	0.8
353.11612	0.4
367.60547	0.5
379.19092	0.6
391.19336	1.5
392.20120	1.0
393.20792	1.5
401.76553	0.5
405.16513	2.0
405.21591	0.9
406.18088	1.2
407.17819	0.7
407.22748	3.6
419.18503	3.0
420.19449	1.5
421.20218	3.7
423.21869	1.9
433.20166	3.6
434.21411	3.7
435.21997	6.3
436.22690	1.1
447.21875	1.8
449.19522	7.6
449.24689	0.5
450.20822	0.7
451.21164	0.5
463.21127	2.8
464.22165	1.9
467.24774	0.9
475.21210	0.5
477.23193	1.0
481.22424	1.4
493.21622	2.3
494.23166	2.5
495.23938	2.5
507.24341	1.0
509.25693	0.6
521.25806	9.1
523.27185	0.9
535.24005	0.8
539.22980	1.1
543.36987	1.2
549.24969	1.2
553.24847	0.4
563.26294	0.7
567.26447	0.6
581.27661	20.7
582.28131	0.8
618.68115	0.5
641.29718	100.0
642.29626	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
54.82110	3.1
55.05515	23.2
57.03455	12.5
57.07079	49.4
65.03930	4.9
67.05508	63.8
69.03407	3.1
69.07072	31.5
71.04982	3.2
71.08247	3.7
71.08634	36.0
71.13164	3.7
79.05077	3.0
79.05495	36.9
81.03406	5.6
81.07059	70.9
83.04987	7.7
83.08621	23.5
85.06559	4.0
85.10187	20.6
89.06033	3.3
91.05486	34.5
93.07041	44.9
95.04961	8.2
95.07987	2.7
95.08614	50.2
97.06536	10.8
97.10175	9.6
99.08147	3.4
103.46669	2.3
105.07030	27.3
107.08592	28.6
108.80913	2.4
108.98151	2.3
109.06518	5.5
109.10147	19.0
117.06976	14.3
117.54556	2.6
119.08591	20.8
121.06570	4.6
121.10151	14.4
123.11694	7.6
125.09666	2.8
129.07002	6.8
131.08571	18.3
131.70247	2.5
133.10173	16.8
133.57274	2.2
135.08040	4.9
135.11708	12.0
139.11160	2.6
142.65439	2.4
143.08522	4.1
145.10132	10.4
147.11700	11.0
149.09656	4.2
149.13283	7.8
151.11166	4.6
157.10094	4.1
159.11774	11.6
161.13292	3.2
163.11206	5.3
169.10172	2.9
171.11653	6.1
173.13280	3.9
177.12808	3.9
217.15982	3.9
229.19481	3.4
239.23688	4.5
247.20702	2.5
255.15974	15.0
257.18942	11.2
267.15952	3.2
269.17520	24.7
275.20117	31.7
291.19629	4.0
309.20599	4.2
313.27380	88.2
314.27887	2.4
331.22543	3.1
349.23801	24.2
357.11838	2.6
493.38992	19.2
500.54196	2.3
507.40521	100.0
508.53683	2.7
547.43903	11.2
587.47015	16.9
605.47400	6.8
641.24933	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	639.4328
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
51.36583	0.2
55.05518	1.6
56.05032	0.2
57.05814	0.2
57.07071	0.9
58.06604	6.2
60.68785	0.2
64.35565	0.2
67.05531	0.3
69.03458	0.2
69.07059	0.5
70.06582	0.6
70.47123	0.6
70.47459	0.2
72.08160	11.8
73.06573	1.6
79.05507	0.2
81.07069	0.2
83.04983	1.7
84.08138	0.7
85.08946	0.3
86.02099	0.2
86.09711	21.2
94.17192	0.2
95.08585	0.2
98.06062	0.5
98.09698	0.4
100.11263	100.0
101.06023	2.6
101.11604	0.3
107.08479	0.2
126.12826	0.3
127.08630	0.2
128.10736	0.5
138.12880	0.2
140.14359	3.8
143.08183	0.3
146.11768	2.9
153.16141	0.2
154.12259	1.9
154.15929	0.7
170.21062	0.2
172.13336	3.0
182.11795	0.8
200.12816	0.4
200.16507	1.4
210.15021	0.5
211.14503	0.8
214.14398	0.8
228.15984	7.1
228.18233	0.4
245.18677	0.4
249.19664	0.4
268.19196	0.3
285.21744	5.1
287.23264	0.2
299.23300	7.5
313.21344	0.9
327.22794	13.4
331.21851	0.2
339.26523	0.3
359.79132	0.2
367.26089	0.3
395.25391	0.9
412.31644	0.5
427.28223	0.3
440.31305	3.3
458.32245	7.1
484.34000	0.8
498.35590	0.4
512.33246	0.6
515.01465	0.2
516.77826	0.2
519.37268	0.2
526.34631	1.3
540.36261	0.4
611.43805	36.9
612.44257	0.6
639.43335	15.3
640.43756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01872	1.7
55.05512	2.7
56.96565	1.3
57.03435	4.5
57.07079	1.7
59.04992	1.2
60.04512	0.9
61.02922	3.0
65.03960	0.8
67.05520	3.9
69.03094	1.3
69.03437	18.2
69.07066	2.5
69.30261	6.2
69.30672	1.7
70.06595	29.3
71.04997	2.3
71.06900	2.3
72.08150	3.7
73.02918	3.1
75.60831	0.8
79.05489	6.1
81.03423	28.7
81.07057	6.1
83.04993	5.5
83.08617	3.7
84.04495	4.1
84.08136	0.9
85.02913	22.0
85.06542	2.6
86.09706	2.4
87.00829	8.2
87.04454	4.3
91.03966	1.2
91.05493	7.2
93.07051	9.7
95.04972	16.3
95.08620	10.7
97.02298	1.4
97.02898	20.5
97.06564	4.3
98.06039	1.6
98.97595	3.2
99.04441	4.5
101.07190	1.6
102.05524	1.7
105.01878	10.3
105.07038	13.7
105.07695	1.3
107.04965	1.7
107.08603	14.3
109.02886	6.6
109.06545	4.1
109.10164	3.1
110.07166	1.1
111.04448	1.7
111.08103	2.2
113.06003	3.7
115.03933	7.3
115.05322	1.0
115.08685	2.7
116.98621	1.4
117.07035	2.4
119.04979	0.8
119.08588	11.3
121.06526	2.4
121.10154	15.5
123.04464	0.9
123.08077	3.6
123.11702	3.4
125.06023	1.2
125.09648	3.6
126.05560	1.1
127.03927	13.3
129.05484	1.0
129.10277	1.5
131.08585	16.0
133.04976	2.2
133.06499	1.7
133.10097	4.5
135.07999	0.8
135.11697	3.5
136.07558	2.0
137.06035	0.9
139.03914	1.6
139.07530	1.1
139.11188	1.7
143.00238	1.1
143.08578	1.3
144.09250	0.8
145.04984	7.7
145.10139	4.2
147.03128	1.7
147.04402	3.3
147.07712	1.7
147.11697	15.6
149.01198	1.4
149.09619	13.3
149.13274	1.1
151.03935	1.3
151.07539	7.8
153.01849	1.1
155.08179	3.1
156.03647	1.7
156.09351	1.7
158.99707	1.2
159.02933	2.6
159.11717	6.0
161.13258	6.8
163.03920	3.5
163.11185	3.8
165.12755	18.8
167.06578	0.9
167.10683	2.4
169.08595	4.4
171.10373	1.5
171.11685	7.1
177.05469	2.1
177.12723	4.3
179.14265	1.1
180.07265	2.0
181.05016	1.0
181.12271	1.0
183.07652	0.8
189.03943	1.2
189.12769	13.6
193.12228	1.1
195.13809	4.7
199.10818	1.8
207.13814	100.0
208.14236	1.1
213.03979	1.2
215.05556	1.4
218.79446	0.9
219.01814	1.6
223.06120	1.3
225.14862	43.7
226.11862	2.7
227.10229	1.2
231.04941	5.3
237.02791	1.2
239.08656	4.0
241.07162	2.7
243.15938	25.2
249.06041	2.5
259.08646	1.0
261.09955	1.6
283.08673	0.9
305.69843	0.9
311.06461	1.3
317.06573	5.1
321.05255	1.1
324.11496	3.1
327.07159	3.5
333.11987	3.6
342.12582	9.7
342.62698	2.4
345.08139	5.1
363.09244	1.5
437.18124	1.2
453.20282	1.1
455.19162	1.5
599.26764	4.7
600.26862	2.8
622.30743	1.1
640.23505	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01872	5.5
55.05515	16.2
57.03435	8.9
65.03950	2.1
67.05510	25.0
69.03429	14.2
69.07074	7.5
69.86388	3.9
71.01366	0.8
71.04988	6.9
73.02917	1.1
78.66235	1.0
79.05024	1.1
79.05122	0.6
79.05494	26.9
81.03423	100.0
81.07059	30.7
83.04989	19.1
83.08621	19.4
85.02912	24.5
85.03448	1.2
85.06544	2.9
86.09734	0.8
87.04498	1.0
91.05483	32.8
93.07049	19.1
94.38615	1.0
95.04971	27.8
95.08604	10.9
97.02898	14.9
97.06542	5.1
97.10174	7.0
98.20869	1.9
99.04456	5.0
101.27586	0.9
103.05494	1.1
105.04574	1.0
105.07035	22.4
105.07693	1.7
107.04964	9.1
107.08593	11.8
109.02885	17.1
109.06522	5.3
109.10143	4.7
109.64188	0.8
111.04445	12.3
111.08083	10.5
111.81226	0.8
113.06008	2.6
115.05510	1.9
117.07029	4.3
119.04958	1.4
119.08580	18.0
121.06551	3.6
121.10146	11.2
123.04428	2.4
123.08115	2.4
123.11732	3.2
125.06001	1.2
125.09628	4.3
127.03950	7.5
128.06256	1.4
129.05486	2.4
129.07019	12.3
131.04912	1.6
131.08566	13.0
133.06502	4.5
133.10127	11.7
135.08116	2.8
135.11703	2.6
137.05992	1.9
137.09676	1.7
139.92725	0.8
142.07784	2.1
143.08569	2.6
144.09245	0.9
145.02922	0.9
145.06516	1.6
145.10097	5.3
147.04472	2.2
147.08060	3.6
147.11697	17.7
149.05992	2.5
149.09612	7.1
153.09172	1.2
153.12749	3.3
155.08528	1.4
157.06499	1.0
157.10115	14.3
163.03914	1.0
163.11165	5.3
165.12776	5.1
171.11786	1.0
173.04486	2.4
173.09732	1.7
175.11198	14.5
177.05475	1.2
181.12299	3.6
183.06490	1.2
187.11287	1.3
189.11339	1.9
191.10698	3.4
193.12250	43.7
199.11340	1.0
209.11617	1.7
209.43037	0.9
211.13289	62.9
213.12759	1.1
217.12329	1.2
227.12741	6.3
229.14264	1.1
235.13261	1.2
249.14915	2.2
259.09384	1.3
259.13458	1.3
265.14575	1.5
267.15918	26.8
273.14905	2.8
277.14294	1.0
283.15442	1.6
285.16962	15.7
289.14691	1.1
291.16040	1.1
301.14233	4.7
313.16525	1.0
319.15475	2.5
337.16638	2.7
355.18051	5.2
367.22885	2.6
375.18091	2.6
385.23877	4.0
393.19260	3.4
403.25034	2.2
411.20206	6.6
429.21402	4.4
441.25925	1.1
449.29306	1.1
459.27377	13.0
475.24939	0.9
477.28473	16.1
495.29602	15.9
501.28217	1.3
511.29147	1.5
519.29675	1.4
543.29413	1.3
561.31140	1.2
567.28827	1.2
573.30542	2.0
585.30603	2.5
588.45813	0.9
603.31201	4.2
621.32684	16.2
639.33771	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71698	0.7
51.17276	0.7
53.03948	6.9
55.01883	4.9
55.05515	19.0
57.03441	8.6
57.07057	1.4
59.04999	0.8
65.03925	2.1
67.05509	23.4
69.03429	14.7
69.07066	7.6
69.35934	1.5
69.36336	5.9
71.04988	6.3
73.02943	1.1
79.05496	26.2
81.03422	100.0
81.07059	27.4
83.04981	19.0
83.08623	24.4
83.09123	1.3
84.22614	0.8
85.02909	22.0
85.06528	1.8
85.70465	0.9
90.70323	0.9
91.05484	30.3
93.07053	17.1
95.04973	29.7
95.08611	9.4
96.63234	0.8
97.02898	13.6
97.06528	5.6
97.10190	8.4
98.20782	1.2
99.04444	3.6
103.05489	1.3
105.04518	1.6
105.07035	23.2
107.04948	7.7
107.08601	9.8
109.02885	17.9
109.06522	6.9
109.10159	4.6
111.04454	11.8
111.08086	9.2
113.06029	2.1
115.05477	2.1
116.06187	0.9
117.07055	5.4
119.04967	1.4
119.08593	21.4
121.06497	5.1
121.10152	10.9
123.04446	3.5
123.08080	2.1
123.11725	2.5
125.06036	0.9
125.09572	4.6
127.03958	7.2
128.06181	0.9
129.05495	1.9
129.07001	10.5
131.04962	1.0
131.08577	10.4
133.06508	4.0
133.10133	8.8
135.04408	0.9
135.08049	2.1
135.11699	1.7
137.06029	1.5
137.09622	1.6
142.07805	3.0
143.08546	1.8
145.06494	1.9
145.10094	4.1
147.04398	1.6
147.08055	4.4
147.11685	19.0
149.06030	1.3
149.09644	6.7
153.09076	1.1
153.12766	2.9
157.06520	0.8
157.10133	13.6
159.11731	0.9
161.05988	0.9
163.11142	5.5
165.12787	4.9
171.10194	0.8
171.11670	1.8
173.04494	2.7
173.09579	2.0
175.11205	13.6
181.12285	3.5
189.11319	1.7
191.10698	3.2
193.12244	47.7
207.13754	0.9
209.11745	1.6
211.13300	59.7
217.12473	0.9
227.12709	6.0
229.14313	1.9
235.13371	1.8
249.14995	1.4
255.13918	1.7
259.13306	1.3
267.09204	2.5
267.15906	24.0
273.14908	3.1
277.14261	1.7
283.15442	2.7
285.10110	3.5
285.16995	15.4
289.14594	1.1
301.14236	5.6
309.17072	1.6
313.16516	1.3
319.15421	2.4
337.16595	2.8
347.66284	0.8
355.17566	5.2
357.15912	2.4
357.24164	0.9
367.22653	3.1
375.18158	2.1
381.74100	0.9
385.23700	4.1
393.19275	4.0
403.24896	1.3
411.20126	6.3
429.21292	5.1
459.27475	15.2
477.28513	18.9
493.28195	0.9
495.29556	20.2
495.36545	1.3
501.28702	0.9
511.28821	1.9
519.29559	1.5
543.29309	1.7
561.30908	2.0
585.30713	4.5
603.31696	4.9
621.32727	18.3
639.33765	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
57.07069	0.7
67.05506	1.1
69.07066	0.8
70.78526	1.1
79.05506	0.7
81.07058	0.6
83.04968	1.2
84.90081	0.5
91.05497	1.0
91.32043	0.6
93.07030	1.1
95.08649	0.7
105.07045	0.9
107.08607	0.7
109.10172	0.9
111.04442	1.2
119.08572	1.1
122.27534	0.6
127.03761	0.5
131.08626	0.7
131.37379	0.6
133.10083	0.9
151.11172	0.5
178.84789	0.5
267.11636	0.5
275.20145	0.8
280.60178	0.6
377.17599	0.8
378.18521	0.7
379.19031	0.6
391.19266	1.5
392.20532	0.6
393.20816	0.7
405.17111	2.2
407.22644	3.6
419.18265	3.8
420.19595	1.6
421.20224	2.5
422.21118	0.6
433.20313	8.4
434.21143	4.3
435.22015	5.2
436.22910	0.9
449.19647	4.3
463.21555	1.8
464.22461	1.2
465.22757	1.5
478.20078	0.6
479.20596	1.3
491.20099	1.1
492.21368	3.6
493.22021	5.2
505.22626	1.9
506.23166	0.8
507.24353	0.7
520.24896	1.4
521.25659	7.7
547.23822	0.6
565.24670	2.1
579.26007	18.2
580.26819	1.2
581.27570	1.5
607.25592	2.3
639.28186	100.0
639.40063	7.9
640.28424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.19926	1.1
55.05499	1.5
59.28398	1.0
67.05506	4.7
69.07066	1.3
70.43126	2.2
70.43498	3.9
79.05504	2.5
81.07058	4.4
82.61376	1.1
83.04983	1.2
84.20650	1.0
91.05474	3.4
93.07047	2.7
95.08640	1.9
97.34541	1.0
98.46433	1.2
103.16959	1.3
105.07009	2.3
107.08590	1.2
108.08123	1.3
109.10128	1.4
113.51655	1.1
120.04504	1.5
120.08097	6.2
122.09640	1.3
129.07042	1.9
131.08611	1.9
135.11729	1.1
146.06015	1.6
148.07530	1.5
160.61237	1.2
172.03969	6.6
172.07555	1.6
186.09183	1.5
199.12433	1.3
204.06560	8.0
211.08647	2.2
225.10315	3.3
227.11867	3.9
235.08800	1.2
237.10309	2.3
241.31448	1.2
249.10213	2.5
251.11768	3.2
253.09805	2.8
253.13298	1.9
263.11960	1.9
265.09839	1.2
279.11301	2.7
285.12546	4.0
298.13437	1.4
301.15433	1.2
307.10822	1.7
311.14093	2.0
314.12787	2.0
323.13992	1.4
325.11871	1.8
326.13181	2.3
327.13818	2.1
328.14505	2.7
330.12338	1.3
339.13834	2.2
340.14691	2.7
342.12384	4.3
342.16208	3.4
355.13275	1.5
356.13995	4.3
356.17831	1.8
357.14929	3.4
358.15726	1.9
368.14014	4.4
370.15677	6.5
371.16495	1.8
382.15625	2.4
383.15881	1.8
384.17346	3.1
398.14856	1.8
412.16577	2.9
417.16739	1.4
419.92740	1.3
426.18240	3.1
435.18271	2.1
437.28943	1.2
444.19131	11.9
447.18442	1.8
449.19669	6.0
456.19412	1.3
463.21503	2.7
470.17087	3.6
491.25101	1.4
519.23712	1.3
551.26599	11.3
579.25995	12.2
589.24365	2.3
600.13129	1.4
607.25409	7.4
611.28668	46.1
639.28143	100.0
640.27991	2.4
642.92151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01868	0.5
55.05511	1.5
57.03444	0.4
57.07065	0.3
61.02924	0.2
65.03943	0.2
67.05499	0.8
68.99801	0.2
69.03432	1.6
69.07072	4.0
69.98495	0.6
69.98911	0.3
70.06602	1.1
71.04997	0.5
72.08145	0.2
73.02922	0.6
77.03923	0.2
79.05496	0.7
81.03422	1.7
81.07058	1.6
83.04980	0.3
83.08631	1.2
84.08130	0.3
85.02910	4.4
86.06084	0.3
86.09721	0.2
87.00837	1.7
87.04476	0.2
88.07632	2.9
91.03957	0.2
91.05485	2.5
93.07037	1.3
95.04955	0.2
95.08614	3.1
95.67422	0.2
97.02903	2.0
98.06082	0.2
98.97607	0.3
99.04468	0.8
103.05489	0.3
105.01874	1.9
105.07037	4.8
107.08603	1.8
109.02872	1.8
109.10160	1.4
110.97559	0.2
111.04448	0.2
115.03931	0.4
116.10764	0.2
116.98616	0.2
117.01871	0.3
117.07043	0.7
119.08587	23.1
121.06435	0.2
121.10159	1.7
123.11720	0.2
127.03934	3.1
128.98688	0.2
129.01819	0.3
129.07036	0.2
131.00275	0.2
131.08563	0.8
133.10138	20.7
134.10918	0.2
135.11694	0.9
137.05971	0.3
137.09650	0.5
145.04947	1.4
145.10103	1.3
146.10858	0.2
147.11697	3.6
149.13283	0.2
151.14752	0.2
159.02910	0.7
159.11752	0.2
160.12442	0.9
161.04668	0.2
163.03851	0.2
173.13326	0.9
174.06841	0.2
175.14830	100.0
176.15176	0.4
177.05452	0.2
177.16403	1.8
189.09129	0.3
193.15883	4.5
203.17905	0.2
205.15964	0.2
213.04005	0.3
219.01859	0.3
219.10178	0.9
220.10422	0.3
229.18011	0.2
231.04906	0.8
235.17032	0.2
237.02875	0.3
249.06058	0.3
287.05695	0.2
301.18085	0.2
327.07431	0.6
336.25360	0.4
354.26614	0.9
369.08420	0.3
372.27551	0.9
388.19800	0.2
390.28436	1.7
405.18973	0.4
423.20377	0.2
441.21036	0.4
458.23703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.9
55.01871	11.5
55.05269	2.1
55.05513	25.7
56.96565	1.6
57.03439	9.8
57.07085	2.4
59.04996	1.2
61.02904	1.4
61.34271	1.0
61.78424	1.0
65.03933	3.2
67.05508	34.1
69.03083	1.6
69.03429	19.2
69.07071	8.7
71.01356	1.9
71.04996	8.5
71.23895	2.1
79.05495	35.0
81.03419	100.0
81.07059	27.6
83.01346	6.2
83.04978	28.0
83.08619	20.1
85.02905	21.2
85.06535	1.4
86.09731	1.6
91.03950	1.6
91.05484	33.0
93.07045	32.7
95.04980	23.2
95.08611	14.7
97.02899	20.0
97.06523	8.6
97.10160	11.0
99.04444	7.1
101.02386	1.6
102.07566	1.2
103.05489	2.7
104.10768	1.2
105.04540	1.8
105.07034	22.5
107.04967	15.2
107.08597	21.0
109.02887	21.8
109.06525	5.6
109.10158	8.6
111.04441	17.5
111.08077	8.0
115.05463	2.5
117.07033	8.9
119.04969	1.9
119.08588	17.8
121.02885	1.3
121.06477	6.7
121.10139	13.2
123.04466	3.8
123.08068	5.7
123.11693	1.7
125.05975	2.7
125.09627	6.3
127.03919	16.0
128.06161	1.6
129.05522	2.0
129.07014	8.3
130.07822	1.4
131.04953	2.9
131.08582	12.7
133.06494	4.1
133.10126	7.4
135.04428	2.0
135.08070	2.4
135.11685	12.9
137.09583	1.2
140.91772	1.2
141.07002	1.5
142.07755	1.4
143.08562	3.4
145.06494	4.5
145.10139	13.5
147.04428	2.2
147.08078	4.4
147.11697	9.1
149.05984	3.3
149.09590	6.7
153.09085	1.6
153.12755	9.6
155.08615	2.1
157.10085	8.4
159.08154	1.4
159.11708	1.6
161.06021	3.4
161.09702	2.4
163.11201	19.5
165.12807	2.8
171.08163	2.2
171.11763	2.0
173.04517	4.0
173.09642	4.8
173.11923	1.3
175.11162	9.2
176.92738	1.3
181.12267	7.5
183.06598	1.5
184.07442	1.2
189.11250	3.8
189.12811	1.4
191.10698	8.2
193.12251	28.9
201.12883	1.2
209.11633	5.5
211.13292	39.0
211.15303	2.0
219.13866	1.2
225.12988	1.6
227.12756	19.8
229.14371	2.4
231.13908	1.8
235.13367	1.7
247.13634	1.3
249.14891	3.2
263.18625	1.2
265.14392	4.5
267.09021	1.3
267.15857	10.2
271.13327	1.9
273.14932	2.8
277.14169	1.7
283.06174	1.4
283.15445	11.8
285.09982	1.6
285.17026	3.1
289.14352	2.3
301.14246	2.9
311.15186	1.3
319.15268	1.7
335.14828	2.2
337.16400	3.0
353.16043	4.9
355.17636	5.3
355.22028	1.2
356.14941	1.4
365.21320	2.2
375.17953	2.4
383.22116	6.5
393.19055	2.0
401.23172	3.0
409.18893	2.5
411.20154	4.1
422.26263	1.3
427.19708	2.7
429.21381	2.0
439.25616	1.2
457.25970	10.7
475.26837	26.4
493.28085	20.1
499.27176	1.5
509.17493	1.5
509.25891	2.3
541.27887	1.3
559.29175	3.2
583.29034	2.8
601.30255	3.5
619.31287	16.1
619.40900	2.2
637.32196	85.5
638.31635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12421	1.8
74.86102	0.6
96.02783	0.6
98.21445	0.9
98.71588	0.6
107.75214	0.6
227.66406	0.5
260.16330	0.6
388.17990	0.8
389.18701	0.8
391.19189	1.6
392.19962	0.9
399.16168	0.8
400.16922	1.5
401.17947	1.7
403.19470	1.1
404.20831	1.2
405.20804	4.1
406.21420	4.5
412.17630	0.6
413.17984	1.1
414.18549	2.5
415.19254	5.2
417.20877	1.1
418.17487	0.8
419.23074	1.3
420.23401	3.0
421.23898	8.4
427.19348	1.2
428.20111	2.8
429.20798	10.9
430.21558	2.3
431.18127	0.9
431.23083	1.0
432.23215	0.7
433.19272	0.9
433.24210	1.9
434.24838	1.2
441.21280	1.0
442.21701	0.9
443.22473	7.4
444.23514	3.5
445.20007	4.0
447.17944	1.6
452.21420	0.8
456.19449	0.8
457.23987	2.9
458.24969	5.8
459.21719	6.2
460.22867	4.9
461.19312	6.6
470.21094	1.8
471.22501	1.2
472.22781	6.6
473.19226	1.7
473.24500	1.2
474.20532	0.6
475.21414	2.2
476.21957	5.7
477.26849	0.8
485.23581	12.9
486.19373	1.3
486.24127	2.7
487.21481	2.3
488.22198	4.1
489.23257	0.8
491.24405	1.0
499.21594	1.4
500.22122	1.3
503.24472	15.6
513.22784	3.3
514.23755	2.0
517.26147	7.5
529.25751	1.8
535.27136	22.4
545.25525	68.9
546.25940	1.2
563.26404	5.5
573.24976	17.7
578.28497	0.8
605.27637	69.9
606.27948	1.1
637.30243	100.0
638.30664	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29660	0.6
55.05509	0.8
69.56129	4.8
83.05000	0.9
102.01905	0.6
127.57233	0.8
146.53171	0.7
170.13760	0.9
175.33003	0.7
264.05771	0.8
363.56683	0.7
377.17999	1.0
385.14981	0.7
390.19000	0.8
391.19412	1.7
392.20227	1.1
393.20831	1.8
399.16232	1.3
400.17145	2.7
401.17758	3.6
402.18021	0.9
403.19318	1.2
407.22385	4.2
413.17770	2.5
414.18399	4.0
415.14493	0.7
415.19626	8.0
416.20163	1.1
421.20245	1.8
425.17606	1.2
428.20129	2.9
429.21399	6.9
430.21664	1.7
431.18665	1.5
432.19717	0.9
435.21896	2.0
441.16846	1.8
442.17963	1.7
443.18491	3.7
443.22952	2.8
444.18619	4.3
445.20184	3.5
446.21289	0.8
455.18878	1.2
456.19321	1.4
457.20596	6.0
458.21130	4.2
460.18463	0.9
461.19211	1.2
471.22372	5.6
472.23260	3.5
473.19638	4.1
474.20721	1.2
485.19937	2.6
486.20676	6.2
487.21429	2.5
488.22070	1.3
489.22928	0.9
490.20401	2.2
499.21402	10.9
500.21967	2.7
503.24478	3.0
513.18738	1.2
514.19781	1.1
517.22198	3.3
527.20880	3.1
528.21783	1.2
531.24084	12.5
543.23669	1.7
545.21564	1.2
559.23450	79.5
560.23602	0.9
587.22858	15.1
619.25531	100.0
620.25970	1.2
637.26599	14.8
638.26654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79855	0.1
58.12824	0.1
62.89621	0.2
67.05479	0.5
69.07053	0.3
69.34658	0.1
70.04285	0.4
70.04698	0.3
79.05507	0.3
81.07043	0.5
83.04964	0.2
83.08598	0.2
83.31097	0.1
91.05444	0.3
93.06999	0.2
95.08600	0.3
98.98465	2.2
105.07030	0.2
118.06569	0.9
119.08581	0.2
125.00009	7.4
130.93324	0.1
132.08063	0.4
133.08862	0.2
144.08084	8.8
145.08881	0.4
146.09633	0.4
158.09657	3.6
159.10435	1.9
160.11192	0.7
172.11205	3.0
173.12042	0.3
176.14355	10.6
184.07336	0.5
186.12747	0.3
187.13493	0.2
202.15913	93.3
203.16241	0.5
220.16969	9.4
300.13599	100.0
301.14056	0.7
374.17441	0.2
618.38953	1.4
636.40234	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	635.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01860	0.9
57.03439	2.1
61.02934	0.5
62.29531	0.3
63.64274	0.3
66.04722	0.4
69.03432	8.5
69.44128	0.2
69.44441	2.3
69.46845	0.3
70.06570	0.8
71.01350	0.4
72.08140	0.4
73.02918	0.5
79.05481	1.5
81.03416	0.9
81.07043	0.8
83.04974	0.7
85.02910	7.1
86.09687	0.8
87.04465	4.4
91.05477	3.6
93.07028	0.4
94.04183	3.2
95.04944	0.6
95.08667	0.3
97.02896	6.4
99.04445	1.0
103.05476	1.4
104.06289	0.5
105.03368	0.4
105.04534	0.3
105.07022	6.0
107.04973	1.4
109.02835	0.6
109.06517	2.2
115.03935	5.1
115.05453	3.2
117.07017	1.3
118.04134	0.4
119.04954	1.2
119.08589	1.8
121.06534	0.7
122.03660	6.8
127.03915	0.8
128.06236	1.6
129.07036	1.8
131.04936	1.5
131.08627	0.5
132.05716	1.9
133.04974	3.8
133.06497	4.2
133.10083	0.3
135.04425	0.4
137.05980	100.0
138.06287	0.7
141.06960	0.7
143.04880	0.5
143.06009	0.6
144.05705	0.6
145.04982	1.0
145.06494	1.3
146.03604	0.6
147.04427	1.3
147.08029	2.4
149.05981	1.4
151.07576	0.7
155.04887	0.8
155.06047	0.5
156.05696	0.8
159.08032	2.3
159.37308	0.3
160.05225	1.5
161.05986	15.0
163.07535	1.6
165.07021	0.4
167.07040	0.9
168.05721	0.4
171.08051	1.2
172.05212	0.9
173.05948	0.4
175.07553	27.0
178.07748	0.3
179.07053	1.5
179.08562	0.3
184.05235	1.1
185.05943	0.4
187.07562	9.3
189.06970	0.7
189.09010	0.5
190.07817	2.5
191.08553	7.3
199.07552	8.3
202.07758	2.2
203.08565	4.5
205.06656	0.4
205.08469	0.5
207.08038	0.7
207.13951	0.6
208.08769	0.9
217.08612	1.1
218.07271	1.7
219.08054	10.2
219.10143	0.6
220.08829	2.3
221.06026	0.5
221.09631	0.5
225.14784	0.4
229.07657	0.3
231.08073	6.5
232.08759	1.4
233.09555	1.0
235.07495	0.7
235.11182	0.7
236.08311	1.9
237.09154	0.8
246.06787	0.6
247.07556	5.4
248.08305	2.9
249.09123	0.9
251.10681	13.2
253.08737	0.7
259.07529	3.5
260.08243	1.6
261.09073	1.5
263.10651	3.4
264.07886	1.1
265.08566	0.8
275.51544	0.3
276.07791	1.7
277.08578	1.9
278.09467	0.4
279.10172	11.6
280.10886	1.2
281.08182	1.3
291.10132	8.6
292.10947	3.1
293.08350	0.8
295.09857	0.5
295.13345	1.2
296.10538	1.9
308.10410	1.0
311.12781	34.8
312.13071	0.7
323.12762	14.1
324.13049	0.3
325.14212	0.6
341.13791	2.0
428.77054	0.3
635.24738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.05492	0.5
57.07076	0.1
58.82436	0.1
67.05503	1.1
69.03429	0.2
69.88445	0.7
79.05486	0.6
81.03413	0.3
81.07066	0.6
84.31210	0.1
87.55898	0.1
90.73372	0.1
91.05460	0.6
93.07026	0.5
95.04955	0.3
95.08599	0.4
98.20756	0.1
98.98461	2.3
102.99940	0.1
105.07074	0.3
107.08586	0.4
109.10147	0.4
111.04431	0.1
117.07035	0.1
118.06540	1.3
119.08559	0.3
121.10145	0.2
124.53632	0.1
125.00011	7.0
131.08578	0.3
132.08058	0.4
133.08824	0.2
133.10077	0.1
134.09619	0.2
135.11650	0.2
139.10104	0.1
143.07373	0.2
143.08516	0.2
143.24400	0.1
144.08089	8.5
145.08900	0.3
145.10092	0.2
146.09622	0.6
158.09637	3.2
159.10452	1.5
160.11241	0.5
162.09116	0.3
172.11197	2.5
173.11972	0.5
174.12791	0.1
176.14354	10.4
184.07350	0.4
186.12732	0.3
202.15915	88.9
203.16335	0.6
220.16977	9.4
300.13599	100.0
301.13947	0.6
342.49536	0.2
546.28058	0.2
616.37579	1.3
634.38776	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	633.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
56.96569	13.7
57.11814	0.8
59.99580	0.8
67.05517	4.1
69.03443	1.3
69.07065	2.1
71.55042	1.6
71.95261	1.6
79.05517	2.9
81.03435	3.4
81.07054	5.5
83.04984	1.6
83.08634	1.0
84.96055	1.7
90.72663	0.9
91.05489	3.2
93.07024	6.2
95.04974	2.4
95.08616	4.8
97.06544	1.6
98.97607	2.0
102.92610	2.0
105.07043	4.0
107.08614	3.5
109.02927	1.3
109.06549	1.9
109.10165	2.3
110.97577	1.9
116.92132	0.8
118.92130	4.1
119.08602	4.7
121.10175	3.9
123.08083	1.3
123.11667	1.1
128.98621	2.5
131.08597	2.2
133.10133	2.6
135.08101	1.5
135.11667	1.1
136.93123	45.0
143.00221	1.1
143.08641	2.1
145.10141	2.7
146.99712	1.0
147.08078	1.2
149.09639	1.4
149.94386	0.9
151.07594	2.9
154.94179	83.6
155.08681	1.0
157.10185	1.3
157.47119	0.9
159.08160	1.0
159.11729	1.3
161.01195	1.4
161.09691	1.0
163.11221	2.0
167.10699	2.3
169.10217	1.4
171.11758	1.3
172.95248	91.5
173.01244	1.2
177.24597	0.9
177.95786	7.2
178.94279	1.5
181.12273	2.8
182.11044	1.1
182.99673	2.1
184.07370	1.0
185.13324	1.0
187.14775	1.0
189.12738	1.1
190.96306	27.9
192.95848	2.7
195.96873	10.5
196.95274	4.4
201.00859	1.5
203.14441	1.4
207.13985	1.3
210.96808	16.5
211.84204	0.9
212.94730	1.3
212.98453	2.0
213.97990	3.1
214.96356	2.4
221.13432	1.1
221.15465	2.7
227.83066	0.9
228.97849	27.2
233.15434	1.7
233.98482	3.2
244.95415	1.4
246.98883	5.0
251.99532	2.7
256.97562	1.4
262.96408	2.5
280.97290	6.2
298.98520	23.4
315.16476	1.4
316.99509	19.7
317.17886	60.7
322.00143	3.3
333.17529	2.8
335.18936	19.5
335.25717	2.2
358.20609	7.7
373.02100	2.7
391.21719	1.6
397.14539	6.3
453.17157	67.8
457.10049	1.0
471.18265	100.0
489.19418	7.7
494.19742	23.4
495.63104	1.1
541.18890	2.5
615.21521	1.6
615.40411	2.3
618.01666	1.2
633.23553	77.9
633.39343	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	633.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
56.96569	22.7
56.96851	1.2
67.05516	1.0
69.07090	0.6
69.25630	1.6
69.26060	2.5
71.95264	1.3
74.97636	0.4
77.52950	0.5
79.05502	1.9
81.03403	0.8
81.07065	1.1
83.08614	0.7
84.96035	18.6
85.02914	0.6
86.09701	0.7
91.05508	1.2
93.07059	2.1
95.04973	0.8
95.08611	0.7
95.47749	0.4
97.49735	0.5
97.96835	0.7
98.97590	16.3
102.97071	1.0
104.10767	0.7
105.07011	1.1
107.08633	1.1
109.06539	0.5
109.10134	0.9
110.97554	5.3
112.98430	0.6
112.99111	2.8
113.51909	0.5
116.98630	7.4
119.08607	1.0
121.10119	0.7
124.99130	7.4
124.99981	0.9
126.97063	1.1
128.98627	5.7
131.00175	3.4
131.08591	0.8
133.10191	0.7
134.99669	1.4
136.99156	1.2
139.00635	0.7
140.98605	4.3
143.00172	15.6
144.98105	8.4
145.01779	0.7
145.10126	0.6
146.99641	2.8
149.01248	3.6
151.07594	0.7
154.93239	1.0
155.00143	4.3
155.64267	0.5
157.01779	1.8
157.10129	0.6
158.99635	2.7
161.01241	9.4
162.99150	4.8
164.98537	0.5
166.01712	1.1
167.02258	1.0
172.94229	0.6
173.01173	2.7
175.02835	0.9
177.00734	0.8
179.02269	0.6
180.94798	4.3
182.99660	9.0
184.02875	1.1
185.01222	1.4
186.00835	0.6
190.95399	0.9
191.00815	0.6
191.02357	1.9
198.95837	4.6
201.00716	10.0
203.02332	1.2
206.96448	0.6
210.95766	0.7
219.01772	1.8
221.97525	0.9
222.95911	1.6
224.02371	0.8
224.97450	1.8
228.97008	1.5
230.80098	0.7
240.96910	5.1
242.98529	2.1
246.95889	4.0
246.98102	1.3
254.98572	0.8
258.98099	1.6
263.09509	1.1
264.10431	0.7
264.96912	12.7
264.99625	0.8
281.10699	1.0
282.97974	23.3
287.98553	1.2
296.99625	1.0
300.99023	12.4
305.99643	2.2
315.16299	14.1
324.00552	1.1
331.16040	0.6
333.17389	21.0
351.18329	2.9
356.18912	3.8
357.01862	2.8
358.16751	0.7
358.66519	0.7
375.02713	2.6
389.20151	1.3
397.09082	0.9
415.84396	0.5
447.64862	0.5
489.15540	0.5
563.13708	1.0
597.20001	0.8
615.21466	100.0
616.21698	1.6
633.22443	28.4
633.41473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87203	0.4
55.01878	0.5
55.05510	0.7
56.96560	0.7
57.03445	0.4
67.05495	0.6
69.03431	0.9
69.07056	0.5
70.06585	0.9
70.88721	1.1
71.04984	1.3
73.02944	0.5
79.05495	0.9
81.03407	0.7
81.07053	1.9
83.04970	0.5
85.02900	1.1
86.09739	0.5
90.59985	0.4
90.73227	0.4
91.05480	0.4
93.07035	1.3
95.04971	0.6
95.08586	0.7
97.02856	0.5
97.06535	1.8
97.41451	0.4
98.97586	1.3
104.89033	0.4
105.07001	0.6
107.08595	0.7
109.06506	0.5
109.10165	1.1
115.35742	0.4
116.98704	0.5
119.08595	0.5
121.10133	0.6
123.11701	0.4
131.08614	0.5
133.10141	0.7
135.08073	0.5
159.11719	0.5
163.03946	1.1
165.09250	0.6
177.05463	0.5
182.79428	0.4
184.07434	0.5
189.05447	0.5
206.16722	0.4
215.07059	0.6
229.13054	0.4
259.09756	1.2
313.11569	0.4
335.24243	1.9
353.25720	0.7
365.26318	1.0
377.26025	0.4
383.27634	5.6
390.17294	1.7
395.17438	0.4
411.27448	0.6
411.43927	0.4
433.33063	0.5
463.18631	0.5
497.30115	0.6
527.31506	3.5
539.31976	1.4
545.32959	8.4
569.32898	1.9
587.33984	27.1
588.34747	0.5
613.23145	0.6
613.31836	2.4
631.33057	100.0
632.33362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
67.05511	0.7
69.03444	0.5
69.07082	1.1
69.62350	2.0
81.03434	0.7
81.07067	1.5
83.04982	0.4
83.08627	0.5
84.08141	0.7
85.02903	1.2
86.09715	0.6
87.04471	1.3
91.05519	0.6
93.07049	0.7
95.08606	0.9
97.02911	0.5
97.06536	1.4
98.21583	0.7
103.81033	0.4
105.01843	0.6
105.07054	0.5
107.08605	0.4
109.02944	0.5
109.10149	0.5
117.07160	0.4
119.01941	0.4
119.08626	0.6
121.06552	0.4
121.10220	0.5
121.43763	0.4
122.60303	0.4
125.09689	0.6
126.72681	0.4
127.03933	0.6
131.08569	0.5
133.10158	0.8
143.08447	0.4
163.03955	1.5
169.10164	0.4
173.02473	0.5
173.92644	0.4
184.07381	0.8
188.23828	0.3
215.07025	0.4
243.14482	0.4
259.09686	0.8
277.10776	0.4
317.23392	0.7
335.24301	2.3
359.15839	0.6
365.26395	1.1
383.27637	5.5
411.27347	0.5
425.28760	1.1
497.30157	0.8
527.31354	4.6
539.31799	0.7
545.32898	8.0
569.33069	2.7
587.34082	26.5
588.34296	0.6
613.31525	2.9
631.33099	100.0
632.33197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02328	0.6
53.03899	1.2
53.19569	0.6
55.01801	1.9
55.02036	0.7
55.44324	0.5
56.96509	0.7
57.03389	0.8
63.96127	0.5
66.78994	0.5
68.99741	1.1
69.03354	6.5
69.06998	0.7
71.04927	1.0
71.53983	0.7
73.02863	1.5
79.05418	1.7
81.03335	5.3
81.06974	1.7
83.85545	0.5
85.02911	11.4
85.03376	0.9
87.00746	4.9
87.01312	1.2
91.05398	2.0
94.04115	2.4
95.04897	0.8
97.02879	3.4
97.06468	1.1
99.04366	2.5
103.05383	1.9
105.01855	2.8
105.07038	7.9
107.04913	1.0
107.08533	0.7
109.02895	6.0
109.06457	1.7
110.58669	0.5
111.97714	0.5
115.05473	2.9
122.03651	3.6
127.03937	9.8
127.63453	0.6
128.06139	1.3
131.04869	1.3
133.06487	5.5
133.10027	0.7
135.04442	0.6
137.05983	46.7
141.06963	0.9
143.05978	0.8
143.81578	0.7
145.04866	2.6
146.03624	3.7
147.02766	0.7
149.05983	1.5
159.02872	3.4
161.05989	50.7
163.07484	0.7
171.07935	1.5
175.07462	1.9
176.68546	0.6
184.05145	2.3
185.05904	0.8
187.07547	1.1
189.06937	1.3
191.08513	2.0
192.09236	1.4
199.07553	10.7
202.07788	9.2
203.06737	1.1
203.08565	19.6
204.09351	1.3
205.06384	1.9
211.13057	1.9
215.08583	0.9
219.08054	5.6
220.08852	6.2
230.07242	2.0
231.05154	1.7
231.08055	33.8
232.08853	5.9
233.05972	0.8
233.09731	0.7
235.11087	1.6
237.09094	0.8
243.08003	0.9
245.09605	1.7
247.07507	4.3
248.08354	17.8
249.09006	1.6
255.14232	1.3
258.06689	2.3
259.07556	26.2
260.08353	14.8
261.09036	2.2
262.09885	2.1
263.07623	0.9
263.10696	16.6
265.08575	2.0
267.09094	1.1
273.09006	1.6
274.09845	1.0
275.07080	2.9
276.07813	12.9
277.08527	4.1
289.08691	1.0
290.09363	1.2
291.10159	89.9
292.10822	3.9
293.08026	4.0
295.13257	1.9
303.10226	0.8
307.09787	1.1
308.10431	4.8
321.11224	1.7
323.12790	100.0
324.13007	1.3
333.11227	2.3
335.12799	1.7
347.12878	1.2
357.18631	1.8
365.13913	2.3
389.13959	0.8
394.62476	0.6
399.19662	5.4
443.18872	0.9
545.32892	1.2
587.34027	5.6
631.33270	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	629.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78729	0.3
53.03929	0.3
60.09644	0.3
60.33959	0.3
67.05499	0.8
69.03435	0.7
69.07037	0.3
69.71119	1.9
70.06593	0.4
72.08160	0.3
79.05497	0.5
81.07056	1.2
83.04997	0.3
85.02923	0.3
91.05485	0.5
93.07052	0.5
95.08595	0.4
105.07032	0.6
107.08617	1.1
109.06513	0.6
109.10173	1.0
119.01941	0.5
119.08569	0.3
121.10131	0.5
127.00067	0.7
127.03639	0.3
133.10107	0.7
139.03691	0.4
143.01929	0.7
149.02174	0.5
155.03145	0.8
161.03062	0.3
167.03157	0.6
173.13268	0.4
185.02904	0.7
185.04337	0.5
203.03984	0.7
209.04243	0.4
215.05511	0.4
225.09846	1.1
227.05377	0.7
231.13734	0.4
245.06491	0.6
249.14674	1.6
271.04263	0.3
273.13452	0.4
275.06192	0.6
287.05722	0.9
291.14462	0.8
299.07385	0.5
301.04318	0.3
309.15579	0.8
317.08667	1.5
335.09567	0.9
341.08456	1.0
343.05231	0.3
359.09540	3.0
375.08847	0.5
377.10571	3.0
385.07413	1.1
393.18854	0.7
403.08374	2.4
411.19171	0.7
421.09586	4.5
423.19186	0.6
449.11487	0.4
453.20325	1.1
471.20468	0.4
525.22797	0.6
543.23950	5.0
567.24194	0.5
585.25244	17.2
611.22437	0.6
629.24188	100.0
630.24414	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.50865	0.6
55.05510	1.4
57.07082	5.6
58.06588	1.6
62.73230	0.6
63.47879	0.8
65.03950	0.7
67.05513	1.3
69.03441	0.8
70.06596	17.6
71.04988	0.8
71.08614	1.9
71.53792	0.7
76.38218	0.7
79.05494	1.6
81.03428	0.8
81.07046	1.1
83.04993	0.7
85.02904	2.9
85.10186	1.4
88.07629	18.8
88.32989	0.7
93.07072	1.1
95.32561	0.7
97.02921	1.1
97.06522	0.8
102.09178	13.8
105.03353	0.8
105.07042	0.9
111.04481	0.6
119.08567	1.1
133.10143	0.8
135.59846	0.6
144.08127	0.8
149.02350	32.2
160.11192	3.8
160.89662	0.7
175.03941	1.0
177.05373	0.7
193.04976	42.4
211.93362	0.7
219.06512	1.1
228.23236	41.9
237.07588	11.2
269.04471	0.8
297.03973	2.9
313.06866	3.0
341.06549	8.5
343.08237	0.8
359.07706	6.1
385.09167	18.4
386.09830	0.8
429.11804	25.6
612.32190	1.0
630.32758	100.0
631.33289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.22
Annotation	Sorocenol G
Peak:m/z	Relative Intensity
56.96566	3.6
67.05488	2.0
67.09756	0.9
69.03422	1.5
69.07069	1.9
69.98351	1.6
69.98748	1.8
79.05449	1.1
81.07079	2.3
81.39082	0.8
84.08143	1.3
84.96050	1.2
85.02893	1.7
88.85924	0.8
91.05502	1.9
93.07069	0.9
95.08600	4.5
97.02877	0.9
98.97589	36.0
105.07028	2.2
106.09566	0.8
107.08596	2.0
109.10138	4.6
110.97585	1.9
112.99155	2.8
113.69553	0.8
116.98616	9.2
119.08597	10.1
124.99139	7.4
125.09632	1.3
128.98569	1.2
131.00169	1.7
132.44469	0.9
133.10144	9.1
134.99632	1.3
135.11714	2.0
137.09650	1.3
138.97043	1.6
140.00212	1.1
140.84666	0.8
140.98619	3.1
143.00166	8.4
145.10211	0.9
147.11742	2.0
152.98671	0.9
156.98111	3.1
158.99631	6.3
161.01227	4.2
166.01810	0.9
167.07088	0.8
170.99661	7.6
173.01276	2.1
175.14853	11.3
175.16290	1.4
177.00734	3.6
182.99702	9.9
185.01237	1.0
186.30396	0.8
189.00745	6.6
191.02222	1.2
201.00729	13.9
203.02313	1.2
213.00742	1.2
219.01767	12.0
231.01732	5.1
237.02914	0.9
242.03314	0.8
249.02870	19.5
267.03925	5.0
270.96500	0.9
272.04498	1.1
291.03873	27.7
291.12732	0.9
303.03784	1.2
305.05447	10.5
309.05011	3.2
315.03909	1.5
317.01880	3.4
333.04935	11.8
335.03085	1.9
345.08411	1.0
359.02863	8.8
377.03870	8.8
393.07343	1.6
411.16928	1.1
435.05338	1.2
437.06799	44.3
455.07355	2.2
459.25720	0.8
543.21313	3.0
585.22974	10.2
616.11591	1.1
629.22070	100.0
630.22559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96490	11.2
70.04616	0.8
70.32343	0.2
71.95180	2.0
72.95969	0.8
72.96371	0.3
74.97523	0.7
79.05460	0.2
81.66436	0.2
84.95939	1.6
97.96808	1.4
97.99123	0.2
98.97591	0.9
105.00079	0.5
110.97575	6.1
112.99090	0.4
115.97739	0.8
116.91463	0.2
116.98547	0.5
123.01124	0.5
124.99066	0.4
127.00649	0.2
128.98622	6.3
131.00073	0.2
133.09950	0.2
133.98761	0.3
137.02628	0.6
139.00621	0.2
143.00168	1.2
143.01068	0.3
143.03728	0.4
146.99660	2.9
151.00621	0.3
151.04251	0.2
152.00096	0.8
153.02097	0.3
155.03732	0.4
161.01215	1.2
161.04854	0.4
163.61478	0.2
165.00597	0.2
165.02124	0.3
167.03775	0.3
169.01619	0.3
170.01222	0.3
171.03294	1.1
175.02701	0.6
176.03537	0.2
177.05762	0.2
179.03760	0.2
183.03239	0.3
183.06932	0.2
185.04900	1.0
189.04375	1.0
189.05772	0.2
190.05141	0.2
191.03807	0.2
191.05907	0.3
195.06955	0.3
199.06459	0.4
203.05952	0.9
203.07449	0.2
204.06660	0.2
205.07428	0.5
213.07973	0.3
214.46031	0.2
217.07370	0.4
219.08942	0.3
221.05000	0.3
223.06422	0.3
225.07855	0.4
226.08817	0.3
227.09500	0.8
235.06494	0.4
236.07217	0.2
239.09329	0.3
241.11061	1.3
243.08986	0.4
245.08412	0.4
245.10645	0.6
249.07809	0.3
252.10385	0.5
255.12697	0.2
259.12109	0.8
263.09552	2.9
264.10345	0.4
265.11130	0.6
277.11081	0.9
281.10675	0.4
283.12323	0.3
285.11624	0.6
289.11038	0.6
291.12753	0.3
295.12390	0.2
303.12634	2.1
313.14673	0.9
315.16312	47.4
316.16690	0.4
317.14130	0.4
321.13696	0.4
326.14044	0.2
331.15869	1.8
333.17380	100.0
334.17773	1.0
348.25183	0.2
349.16782	0.3
351.18439	16.0
354.17633	0.2
356.18988	12.2
357.19238	0.7
369.19366	0.3
374.20059	4.9
375.20633	0.3
591.37396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2817
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.56577	0.4
55.05535	0.4
65.78451	0.4
67.05509	0.7
69.53117	2.8
73.30138	0.4
79.05537	0.4
89.06340	0.4
90.93855	0.4
91.05488	0.7
91.54348	0.4
105.07084	0.5
122.06051	0.5
130.06586	0.6
131.07356	0.5
131.75995	0.3
136.07573	0.9
146.09657	0.8
148.07573	0.6
160.03926	0.4
172.07582	0.5
174.09122	3.3
186.09221	0.9
187.08665	0.9
187.12320	3.7
188.10735	1.8
196.10065	0.4
197.10759	0.9
198.09265	0.5
199.08635	0.5
200.09401	0.5
210.07590	0.4
210.09375	0.7
210.11275	0.5
211.08772	1.2
211.12376	0.6
212.09427	0.7
213.10379	0.6
215.11763	2.0
223.12294	0.5
224.09502	0.6
225.10225	2.4
226.11203	0.6
227.11745	2.3
235.08725	1.1
237.10411	1.0
239.11795	2.0
240.12552	0.6
241.13335	2.7
243.11304	17.8
249.10278	1.5
251.11830	1.2
252.09004	0.8
253.09842	1.9
263.11813	0.6
265.09814	0.8
267.11288	5.0
269.12946	1.7
277.09744	2.2
281.13068	0.8
284.11438	0.5
285.12231	2.0
290.12976	0.5
291.11383	1.1
293.13046	0.8
295.10800	2.8
299.14273	0.7
300.11313	0.5
301.12469	0.7
301.15549	2.9
302.12851	0.7
306.12570	0.6
309.12411	2.2
311.14047	1.1
312.11588	0.5
313.12683	0.6
314.13101	1.2
315.14005	0.7
316.10907	1.2
316.14676	0.7
317.11606	0.7
318.12476	0.6
319.10867	1.2
320.13922	0.6
325.15518	6.8
327.13431	4.8
328.10883	1.5
328.14548	0.9
329.11948	0.6
330.12457	2.2
330.16089	0.7
331.13498	0.7
332.14038	0.7
334.15445	1.0
339.13858	0.5
340.10876	0.5
341.11560	0.7
342.12320	2.1
342.16150	0.7
343.13266	2.4
344.13956	2.7
345.14877	1.2
346.15588	1.5
348.13397	2.6
351.13510	0.6
353.12225	0.5
354.12244	0.6
356.13928	2.6
357.14853	1.5
358.15411	2.8
359.16177	0.6
360.17288	0.6
362.14984	0.7
370.15762	2.1
371.16385	0.8
372.13095	0.8
372.17184	4.1
374.15073	0.7
381.17117	0.5
382.15701	0.5
384.12897	0.8
384.17230	1.2
386.14932	1.3
386.18814	1.6
393.13376	0.4
398.14935	0.8
400.16550	2.3
403.15967	0.5
405.17047	0.5
406.14700	0.5
407.15002	0.5
412.16559	1.3
414.18518	0.7
416.16263	1.2
417.17392	0.4
418.17761	0.9
419.18488	0.5
420.16537	0.6
421.16772	1.1
422.17679	0.7
423.18512	0.8
428.16504	0.4
430.17703	0.8
431.18826	1.2
432.19519	2.7
433.20486	0.5
434.18912	0.7
435.14301	1.1
436.20047	0.6
437.19882	1.8
438.20816	0.5
444.19455	0.6
445.20273	0.8
446.20712	0.6
447.21848	1.7
449.19995	1.4
450.16965	1.3
450.22034	0.6
451.17401	1.3
451.22400	0.6
460.18756	1.6
461.23532	1.3
462.19449	0.5
462.24374	1.4
463.22156	2.2
464.18210	0.7
465.18866	10.0
465.28781	0.5
466.20074	0.5
469.57684	0.4
472.18726	0.8
475.21674	0.6
476.20438	0.7
477.19281	0.9
478.20230	1.4
479.20563	4.9
480.21716	2.9
481.22296	2.1
489.22897	1.0
490.22092	0.9
491.20639	0.9
492.21564	2.9
493.22952	3.7
494.23077	0.5
504.21213	2.4
507.24127	4.0
508.21249	0.7
517.22272	2.2
520.21130	1.1
521.21478	0.5
527.26569	0.5
535.23444	5.7
537.21448	0.9
540.23584	0.5
541.24036	0.8
549.25037	8.8
553.24426	1.3
563.22681	0.6
567.26068	44.7
577.24390	1.1
584.83344	0.5
595.25543	32.7
599.28290	0.6
609.26801	0.7
627.28143	100.0
628.28436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.0
55.01886	0.9
56.56595	0.9
56.96572	1.0
58.81831	1.0
65.03957	1.1
67.05501	1.9
71.54765	1.1
81.07078	1.3
83.05009	1.7
91.05482	1.5
93.07047	1.8
97.06519	1.0
105.07009	1.6
107.08580	1.3
108.08115	1.1
108.61231	1.0
120.04485	1.1
120.08192	1.0
121.10104	1.1
126.84242	0.9
136.07593	2.0
138.09201	0.9
173.02232	1.1
174.09111	5.6
187.12288	4.6
188.10689	2.5
197.10597	1.1
211.08791	1.3
213.10201	1.3
215.11838	3.6
224.09442	1.6
225.10252	3.8
227.11815	2.9
229.07474	1.6
235.08759	1.4
239.11850	2.1
241.13391	3.0
242.11659	1.1
243.11290	30.8
243.13654	1.8
249.10362	2.0
251.11867	2.1
253.09624	1.6
260.09583	1.2
265.09924	1.5
267.11331	7.0
269.12878	2.6
279.11395	1.2
285.12430	2.7
291.11176	1.5
295.10770	2.3
301.15469	1.2
302.12976	1.5
306.12311	1.1
306.16064	1.2
309.12427	1.1
314.12939	1.8
315.13943	1.3
316.11011	1.3
316.14752	1.4
317.11673	1.4
325.15515	11.1
327.13702	2.9
328.10901	2.3
328.14587	2.0
329.11893	1.5
330.12405	3.8
330.15973	1.4
334.15628	1.0
335.15131	2.5
342.12390	3.1
343.13361	2.5
344.13992	4.5
345.14813	1.5
346.15576	2.4
348.13477	6.8
351.13297	1.4
353.16025	1.5
355.13379	2.1
356.14044	3.3
357.14917	2.3
358.15640	4.3
366.18362	1.4
370.15533	2.1
372.17288	4.1
376.17737	1.8
386.14981	3.2
386.19202	1.3
390.18323	1.3
400.16650	2.9
403.15787	1.4
407.14661	1.3
416.16122	1.3
422.17426	2.1
432.19470	4.6
435.13846	1.9
437.19882	2.9
445.20172	1.5
447.21683	4.3
449.15915	2.0
450.16669	1.8
451.17310	1.5
460.18976	1.7
461.23553	2.8
462.24701	2.1
463.21030	3.4
465.18954	16.8
466.19812	1.2
478.20813	1.3
479.20767	6.1
480.21606	5.4
481.22406	3.3
489.23035	1.6
490.20535	2.2
491.21350	1.3
492.21524	4.0
493.22269	4.0
495.24533	1.3
504.21289	2.1
506.23090	1.4
507.24115	5.7
508.20996	2.4
517.22638	1.9
520.21490	2.3
535.23553	10.4
549.24927	15.2
552.23444	1.6
567.26099	91.3
568.26318	1.6
577.24780	2.8
595.25507	100.0
596.24951	1.3
627.28058	70.3
627.35754	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74561	0.4
52.86707	0.4
55.15339	0.4
56.96555	1.2
57.03421	0.6
67.05499	0.9
69.03429	2.0
69.43530	3.2
70.06595	1.9
73.15824	0.4
79.05502	0.8
84.08139	0.7
84.96027	0.6
85.02914	2.1
86.09708	1.1
87.04441	1.2
91.05497	1.7
95.04972	0.5
95.08616	1.0
97.02885	1.6
98.97590	2.9
101.90772	0.4
105.07050	0.8
107.08604	0.7
110.97570	0.6
115.03964	1.0
116.98636	0.6
119.08601	0.7
121.10166	0.5
123.08080	1.3
127.00053	0.6
127.03771	0.8
128.98668	0.7
129.10330	0.4
133.05013	0.6
133.10187	1.1
135.08093	1.0
135.49220	0.5
143.00163	0.6
143.01917	0.7
145.03555	0.4
147.11769	0.5
149.02116	0.6
149.09668	0.6
155.03122	0.7
157.03456	0.5
158.99643	0.9
161.01215	0.5
161.03020	0.9
167.03198	0.6
185.02960	1.0
189.12767	0.6
191.14299	0.7
203.04036	1.7
207.13802	0.8
215.04031	0.6
219.01849	1.9
237.02818	1.1
243.04865	0.5
246.97803	0.5
247.13208	0.7
267.14493	0.5
271.04333	0.7
275.06207	2.0
287.05530	7.1
288.05856	0.9
289.12827	0.6
299.07468	0.8
301.12845	0.5
303.05118	1.4
307.14096	1.1
317.08472	1.7
325.05762	0.6
331.22241	0.5
341.08173	0.7
349.15112	1.3
359.09442	2.2
361.02435	1.1
377.10669	1.6
379.15863	0.7
385.07397	0.8
391.17517	0.6
403.08557	3.9
409.17856	1.4
421.17908	1.5
451.18787	1.6
481.20798	0.5
523.21582	1.4
541.22449	5.9
565.22339	1.7
583.23669	24.0
627.22626	100.0
628.23236	1.5
649.11298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	12.1
67.05508	1.2
69.03429	1.0
70.06606	3.3
70.64138	1.3
70.64484	1.1
73.13458	0.6
75.93044	0.6
79.05501	0.7
79.08869	0.5
81.03413	1.1
81.07060	1.7
84.08150	1.0
84.96018	3.8
85.02909	1.9
86.09724	1.5
91.05505	0.9
93.07031	0.8
95.05000	0.8
95.08575	0.6
97.02906	1.5
97.96825	1.1
98.97591	41.5
107.08624	0.9
109.02867	1.1
110.97581	6.8
112.99159	2.2
116.98632	11.6
121.10126	1.1
124.99129	1.5
127.03925	0.6
128.98611	6.5
130.32382	0.6
131.00237	1.4
133.10158	1.5
134.99707	2.4
135.08046	0.8
137.06033	2.2
138.06314	0.7
140.00247	1.3
140.98567	1.1
143.00151	3.5
146.99704	1.7
149.13397	0.6
152.98662	1.1
155.00185	1.2
158.99709	3.8
161.01254	1.7
163.03970	1.2
167.00137	0.7
170.99722	3.0
173.01265	0.9
175.07561	0.7
176.08002	1.0
177.00734	4.2
182.99728	1.5
184.07497	1.0
189.00676	4.3
197.04903	1.2
201.00749	3.0
207.03348	0.9
213.00793	0.7
219.01796	11.2
237.02827	12.8
247.10214	2.4
249.02849	1.7
255.04034	0.7
263.09686	1.7
265.11102	7.1
279.09384	0.7
281.10699	1.6
283.12210	8.8
289.11096	9.4
291.03931	1.2
292.10074	0.9
293.10736	1.9
307.12192	26.0
311.11530	1.1
319.12317	2.5
325.13187	6.5
330.13797	1.2
331.12225	0.9
347.11850	1.2
349.13211	3.3
361.13196	1.2
375.14697	1.0
391.14252	3.0
409.15347	35.2
427.16333	6.1
451.16449	24.9
469.17560	2.1
505.17490	1.4
541.19672	32.2
542.19562	0.9
547.18274	0.7
559.20709	0.9
583.21051	35.1
609.29187	1.1
627.20526	100.0
627.29590	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	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32389	0.2
55.01860	0.3
55.05516	0.4
57.03426	0.3
61.02929	4.2
68.99786	0.3
69.03429	1.1
69.62016	0.4
69.62418	0.7
70.06587	0.9
71.04987	0.2
72.08163	0.2
72.72525	0.2
73.02914	1.3
81.03413	0.8
85.02908	4.4
91.03957	2.3
95.04958	0.2
97.02905	2.3
99.04443	0.4
109.02894	0.5
111.00802	0.9
115.03872	0.2
121.02880	0.8
127.03905	0.8
137.02330	2.4
145.04988	0.6
149.02310	0.5
153.01851	2.5
161.06013	0.2
162.02261	0.4
163.03941	0.5
165.01811	1.3
173.06000	0.3
177.05463	0.3
183.02902	0.7
183.04362	0.2
193.04938	0.3
201.05411	1.2
215.03564	0.2
229.05013	4.0
247.06023	0.6
257.04401	2.3
274.04742	0.7
275.05511	0.2
285.03830	1.1
303.04999	100.0
304.05368	0.8
415.44754	0.2
465.10324	10.8
471.21179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01861	0.4
57.03427	0.5
57.41779	0.1
61.02932	0.9
66.43437	0.2
68.99777	0.3
69.03433	2.3
69.62348	0.7
70.06590	0.7
71.04979	0.4
73.02917	0.4
81.03427	1.3
83.70107	0.2
85.02909	6.2
87.04479	0.3
91.03957	0.3
93.07142	0.2
95.04960	0.3
97.02906	2.2
98.97598	0.2
99.04452	0.5
109.02883	1.2
110.07168	0.2
111.00796	0.7
115.05481	0.2
121.02895	0.8
123.04414	0.2
127.03921	1.5
137.02341	2.6
137.03320	0.3
137.05966	0.2
145.04956	1.1
149.02332	0.5
153.01837	2.6
155.04852	0.2
161.05980	0.2
163.03896	0.8
165.01840	1.7
166.02612	0.4
168.45561	0.2
173.06158	0.2
183.02881	0.6
183.04321	0.2
187.04021	0.3
193.04996	0.3
201.05524	1.3
219.02905	0.2
219.06479	0.3
229.04982	3.8
231.73129	0.2
247.06061	0.5
257.04498	2.5
274.04807	0.4
283.11508	0.2
285.03906	1.2
297.78690	0.2
303.05002	100.0
304.05228	0.7
336.33786	0.2
465.10336	9.8
565.80090	0.2
637.67157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01859	0.4
57.03424	0.8
58.33163	0.2
61.02931	2.7
68.99783	0.5
69.03429	2.2
70.06581	0.6
71.04977	0.4
71.53622	0.3
72.08146	0.2
73.02926	0.9
81.03410	1.2
81.07047	0.2
85.02910	10.6
86.09708	0.3
87.04462	0.4
91.03958	2.2
91.05486	0.3
93.03327	0.2
95.08628	0.2
97.02898	4.0
97.06551	0.3
98.97584	0.3
99.04444	0.4
109.02939	0.9
111.00803	0.8
111.04462	0.2
117.07002	0.3
121.02866	0.8
127.03916	2.3
137.02344	2.9
137.05920	0.2
145.04964	2.7
147.04355	0.4
149.02309	0.5
153.01837	3.5
163.03874	0.6
163.06006	1.3
165.01816	1.7
166.02629	0.3
173.06036	0.3
175.14842	0.3
181.05006	0.2
183.02939	0.5
195.02802	0.4
199.10207	0.2
201.05496	1.5
205.05005	0.2
213.05423	0.2
229.04970	3.9
243.26913	0.3
247.06102	0.7
257.04401	2.1
274.04788	0.7
275.05359	0.2
285.03986	1.2
303.04996	100.0
304.05405	1.2
304.08289	0.2
315.04916	0.5
327.05191	0.2
345.06091	1.1
369.06128	0.6
395.59116	0.2
411.07355	0.2
429.08157	0.2
465.10339	3.4
627.25433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01862	3.3
55.05512	14.9
56.96542	2.0
57.03429	5.5
57.07073	7.3
59.05017	2.0
61.02927	2.9
67.05503	17.0
69.03432	15.6
69.07070	100.0
70.06595	2.3
71.04974	3.2
71.08655	2.1
73.02921	3.5
73.06585	2.0
79.05517	10.7
81.03436	10.3
81.06594	3.6
81.07057	63.1
83.04987	4.6
83.08607	9.1
85.02906	23.1
85.06553	9.3
86.09692	2.4
87.00829	11.5
91.05487	6.0
93.07051	17.9
95.04955	4.6
95.08611	43.5
97.02881	11.8
97.06522	9.9
97.10178	3.3
98.97583	2.6
99.04454	6.7
99.08075	6.2
101.06051	2.1
105.01857	6.0
105.07022	12.4
106.44144	1.8
107.08599	18.0
109.02880	7.6
109.06522	3.6
109.10152	26.9
111.08069	6.4
111.11731	30.5
117.61790	1.8
119.08575	8.4
121.06499	2.8
121.10143	16.5
123.11708	42.1
125.09612	3.8
127.03927	16.9
127.11206	10.5
131.08563	2.6
133.10129	5.6
133.17734	2.1
135.11688	12.8
137.09607	2.5
137.13249	12.9
139.11192	25.5
145.10103	3.8
147.11681	6.8
149.13260	6.8
151.11168	3.0
151.14827	8.4
153.12729	15.2
155.08499	2.1
157.12254	13.0
159.03008	2.1
159.11748	5.2
161.13284	5.1
163.11186	3.5
163.14772	2.1
165.12758	7.3
171.06276	1.8
173.13322	3.5
175.14740	1.9
177.05458	3.4
179.14404	3.9
181.67303	1.8
186.25101	1.8
201.16478	2.9
215.07074	1.9
219.21042	1.9
224.64560	1.9
231.05064	3.9
235.30363	2.0
237.18538	6.5
237.22191	3.3
255.19673	2.7
259.09793	3.1
263.23682	3.6
277.25235	2.4
281.24753	3.3
285.16852	2.4
289.25302	13.7
295.26364	27.5
307.26321	79.7
308.26376	2.0
325.27405	91.0
343.28555	23.3
378.26178	2.6
379.20721	2.5
433.29422	2.1
499.60117	2.3
519.29132	3.0
537.30646	3.2
543.31299	4.2
555.31409	8.0
582.31989	2.3
626.30756	9.2
627.29199	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	626.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01862	3.3
55.05512	14.9
56.96542	2.0
57.03429	5.5
57.07073	7.3
59.05017	2.0
61.02927	2.9
67.05503	17.0
69.03432	15.6
69.07070	100.0
70.06595	2.3
71.04974	3.2
71.08655	2.1
73.02921	3.5
73.06585	2.0
79.05517	10.7
81.03436	10.3
81.06594	3.6
81.07057	63.1
83.04987	4.6
83.08607	9.1
85.02906	23.1
85.06553	9.3
86.09692	2.4
87.00829	11.5
91.05487	6.0
93.07051	17.9
95.04955	4.6
95.08611	43.5
97.02881	11.8
97.06522	9.9
97.10178	3.3
98.97583	2.6
99.04454	6.7
99.08075	6.2
101.06051	2.1
105.01857	6.0
105.07022	12.4
106.44144	1.8
107.08599	18.0
109.02880	7.6
109.06522	3.6
109.10152	26.9
111.08069	6.4
111.11731	30.5
117.61790	1.8
119.08575	8.4
121.06499	2.8
121.10143	16.5
123.11708	42.1
125.09612	3.8
127.03927	16.9
127.11206	10.5
131.08563	2.6
133.10129	5.6
133.17734	2.1
135.11688	12.8
137.09607	2.5
137.13249	12.9
139.11192	25.5
145.10103	3.8
147.11681	6.8
149.13260	6.8
151.11168	3.0
151.14827	8.4
153.12729	15.2
155.08499	2.1
157.12254	13.0
159.03008	2.1
159.11748	5.2
161.13284	5.1
163.11186	3.5
163.14772	2.1
165.12758	7.3
171.06276	1.8
173.13322	3.5
175.14740	1.9
177.05458	3.4
179.14404	3.9
181.67303	1.8
186.25101	1.8
201.16478	2.9
215.07074	1.9
219.21042	1.9
224.64560	1.9
231.05064	3.9
235.30363	2.0
237.18538	6.5
237.22191	3.3
255.19673	2.7
259.09793	3.1
263.23682	3.6
277.25235	2.4
281.24753	3.3
285.16852	2.4
289.25302	13.7
295.26364	27.5
307.26321	79.7
308.26376	2.0
325.27405	91.0
343.28555	23.3
378.26178	2.6
379.20721	2.5
433.29422	2.1
499.60117	2.3
519.29132	3.0
537.30646	3.2
543.31299	4.2
555.31409	8.0
582.31989	2.3
626.30756	9.2
627.29199	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.5
55.01878	22.6
55.05510	25.0
57.03439	6.6
57.07066	4.4
60.28590	2.1
67.05511	55.5
67.57471	2.1
69.03448	2.3
69.07073	62.7
71.04967	2.7
74.19817	2.2
79.05070	3.6
79.05502	42.4
81.03431	9.4
81.07061	54.3
83.04988	8.9
83.08627	13.6
85.06567	3.4
91.05489	52.9
91.06029	4.2
93.07051	39.3
93.07636	2.3
95.01331	4.3
95.04961	10.7
95.08614	34.0
97.06542	33.4
97.10182	7.4
99.08105	2.5
105.07037	56.9
105.07695	4.3
107.04986	10.2
107.08603	24.5
109.06516	3.7
109.10188	15.0
111.08090	5.0
115.05502	3.4
117.07031	24.6
119.08585	40.0
121.06525	4.9
121.10149	13.3
123.08073	5.1
123.11716	3.9
125.09689	4.8
128.06262	5.2
129.07037	10.2
129.73352	2.5
131.08569	30.0
133.06516	2.8
133.10135	29.4
133.10977	2.6
135.08087	6.7
135.11685	11.6
137.09660	4.1
141.07030	4.3
141.97383	2.4
142.07823	3.3
143.08583	19.6
145.06493	3.1
145.10130	28.1
147.08061	4.0
147.11710	22.4
149.09683	7.4
149.13261	5.3
151.11256	3.5
155.08557	12.8
157.10130	22.1
159.11711	27.3
160.89926	2.3
161.13281	15.2
163.11266	4.8
167.08694	3.3
169.10085	13.4
171.10289	4.4
171.11661	20.1
173.09750	2.5
173.13260	12.1
175.14844	3.3
177.12830	5.3
179.14381	8.9
181.10237	9.1
183.11670	12.9
185.13264	16.4
187.14919	6.2
193.10187	3.3
195.11816	8.0
197.13275	11.6
199.14871	7.5
201.16466	3.3
206.19788	2.3
209.13321	4.9
213.16422	2.9
215.18016	4.7
217.19521	2.3
221.13239	2.9
223.14986	5.7
225.16489	3.2
229.54294	2.7
231.17619	2.8
233.13193	2.3
235.14941	2.9
237.16475	3.5
239.17992	3.1
241.19633	13.4
255.17525	2.2
257.19086	7.2
259.20523	14.7
273.18671	3.2
275.20123	36.8
293.21188	4.1
315.23404	4.9
325.25385	2.8
331.22937	2.7
333.24258	17.8
341.25235	2.4
349.23810	25.1
389.12918	2.7
405.55231	2.3
435.32864	9.1
437.34146	15.4
453.34003	3.0
501.36203	3.1
505.40610	2.6
509.36255	5.2
511.37988	13.6
513.35962	7.4
515.39252	4.5
527.37347	28.1
529.39221	7.3
533.40106	9.6
551.41174	6.9
555.37268	5.1
556.37469	2.9
607.43597	59.3
625.44794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1767
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03948	0.2
55.01865	0.2
55.05507	0.6
57.03441	1.8
59.05002	0.3
61.02930	2.1
65.03928	0.2
67.05502	0.3
69.03424	0.7
70.06570	0.3
71.04997	9.3
73.02920	0.9
75.04478	0.6
79.05480	0.4
81.03413	0.6
81.07054	0.4
83.04970	0.7
84.08140	0.2
85.02909	13.7
86.09713	0.2
87.04456	0.5
91.03952	1.2
91.05434	0.3
92.02623	0.6
93.03436	0.8
93.07038	0.2
95.04989	0.3
95.08637	0.2
97.02908	1.6
97.06513	0.4
99.04453	0.4
100.11253	0.2
105.07052	0.3
107.04928	0.3
109.02897	0.2
109.10153	0.3
111.04442	0.4
115.05429	0.2
121.02879	0.6
126.03164	0.2
127.03934	0.6
129.05486	3.9
137.02310	0.2
137.05992	0.4
139.03896	0.8
145.04971	0.6
147.06540	1.2
151.03882	0.8
153.01826	4.9
163.11249	0.3
165.01839	0.5
184.07307	0.3
195.94907	0.2
201.05475	0.5
210.14935	0.3
217.05054	0.4
218.05655	0.2
227.12769	0.2
228.04124	0.8
229.04959	1.9
231.02867	0.2
245.04543	0.5
246.05243	1.0
257.04465	2.2
259.09598	0.2
260.03189	0.4
261.07516	0.4
273.03964	1.0
274.04758	3.5
283.15399	0.4
284.03207	0.4
285.03928	3.8
287.01645	0.2
288.06287	0.2
302.04236	10.5
303.04694	0.2
317.06564	100.0
318.06818	1.1
329.06519	0.2
377.68393	0.2
444.00546	0.2
479.05896	0.2
479.11923	0.4
618.82214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01867	1.8
55.05513	4.4
56.05044	3.3
57.03423	1.2
57.07065	0.9
60.04519	1.4
67.05505	18.0
68.05033	0.8
69.03438	4.4
69.07079	3.5
69.33070	0.9
69.33479	4.7
70.06579	2.8
71.04999	4.1
72.08168	1.1
72.29820	0.7
77.37093	0.6
79.05071	1.3
79.05497	16.7
80.05017	2.7
81.03425	4.2
81.05792	2.3
81.07057	18.9
82.06589	4.9
82.07358	0.7
83.05002	0.9
83.08626	3.3
84.08116	1.0
85.02898	3.3
85.06544	3.7
85.06982	0.7
86.09707	1.6
87.04483	3.3
91.05480	6.0
93.07046	25.3
94.06569	18.6
95.04974	2.8
95.08608	30.9
96.08138	3.2
97.02890	1.8
97.06535	8.0
97.10139	1.0
99.08109	0.9
103.05477	0.9
105.01883	0.7
105.07026	13.1
107.07343	2.4
107.08585	2.9
108.08155	1.0
109.02852	0.9
109.10158	4.9
110.09697	9.6
111.08081	14.5
112.63054	0.7
113.09631	1.0
117.06963	0.8
119.08577	1.5
120.08121	1.4
121.10154	4.1
122.09672	36.3
123.08071	33.9
123.11710	3.5
127.11185	0.7
128.10718	29.6
128.11682	1.6
130.12300	0.8
131.08560	1.3
133.10138	1.4
135.11676	2.9
137.05942	1.2
138.09131	1.3
140.10704	100.0
141.09105	17.3
141.10930	0.8
142.12314	1.1
145.10112	1.4
147.11694	1.4
148.07498	0.8
149.09592	1.0
149.13254	2.1
158.11771	7.7
159.11743	1.1
173.13280	0.7
203.17789	0.8
205.19481	2.7
223.20561	1.2
250.21733	1.5
259.09622	0.8
268.22742	5.1
273.26837	0.7
286.23706	4.3
304.14285	0.7
305.24765	1.7
312.25369	1.0
360.29031	1.2
378.30002	5.1
390.29999	8.4
396.31299	1.9
408.31104	71.7
409.31378	1.1
426.32147	76.8
427.32538	1.0
444.33267	14.4
624.22351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01862	2.4
55.05516	3.8
56.05036	3.2
56.96561	0.8
57.03436	0.8
57.07071	0.9
60.04514	2.0
62.37680	0.7
67.05509	17.0
68.05025	1.3
69.03440	4.3
69.07069	3.9
70.06577	1.9
70.12652	2.6
70.13017	0.6
71.05003	3.6
72.08163	0.9
77.03929	0.6
77.08593	0.5
79.05502	17.4
79.05968	0.9
80.05020	2.9
81.03417	4.1
81.05791	2.2
81.06592	1.1
81.07061	18.7
82.06581	2.9
83.04983	1.7
83.08617	1.5
84.08134	1.2
85.02898	2.6
85.06532	3.0
86.09692	2.0
87.04461	3.4
91.05491	6.1
93.07050	24.4
94.06573	18.7
95.04963	3.6
95.08614	29.3
96.08125	2.5
97.02885	1.8
97.06540	7.4
98.97587	1.1
103.05483	1.2
105.07035	13.3
106.06601	0.7
107.04990	0.7
107.07357	3.1
107.08571	4.0
109.02885	1.0
109.10157	4.6
110.09682	8.7
111.08086	15.0
119.08572	1.8
121.06519	1.0
121.10133	4.1
122.09676	35.4
123.08075	34.4
123.11702	3.1
125.09662	1.4
127.03873	0.7
127.11243	0.7
128.10722	29.6
130.12315	1.2
133.10165	0.7
135.11674	3.1
137.05992	1.3
137.13191	0.7
140.10710	100.0
141.09109	14.4
141.10210	0.7
141.15530	0.6
145.10155	1.5
147.11714	1.4
149.13254	1.9
151.11182	0.7
158.11786	8.1
163.03870	0.9
163.14841	1.1
169.93298	0.6
191.14253	0.7
205.19562	2.7
223.20633	1.9
241.21823	0.7
250.21826	1.3
259.09824	1.1
268.22922	3.7
286.23752	3.6
294.24268	0.7
305.24768	1.2
312.25351	1.5
360.28906	1.1
372.29028	1.6
378.30017	4.7
390.30008	6.8
396.31082	1.5
405.13251	0.8
408.31107	69.3
409.31390	0.9
415.80078	0.7
426.32159	75.7
427.32263	0.7
444.27402	1.0
444.33267	13.0
466.66113	0.6
498.76129	0.7
598.90887	0.7
624.27979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21557	0.8
50.21817	0.8
53.03940	3.4
55.01868	3.2
55.05511	8.6
57.03446	7.0
57.07080	2.2
59.04997	2.0
61.02925	1.6
62.97945	0.9
67.05507	6.2
68.99789	1.0
69.03434	29.5
69.07059	3.1
70.11956	1.5
71.04996	2.1
73.02900	2.5
79.05487	5.9
81.03059	0.9
81.03432	9.2
81.07072	10.6
83.04986	17.9
83.08612	8.5
85.02911	30.1
85.06539	3.4
87.00831	14.7
87.04468	8.6
91.04002	1.2
91.05485	6.2
93.07058	9.9
95.04968	11.0
95.08619	5.0
97.02896	29.7
97.06542	4.9
97.10141	1.2
97.84469	0.9
98.60437	0.9
99.04444	7.2
103.03965	1.3
105.01872	18.4
105.04522	1.1
105.07030	8.4
107.04969	1.2
107.08600	15.8
109.02876	9.6
109.06527	13.4
109.10162	26.5
111.04450	3.7
111.08087	4.2
115.03934	11.6
115.07568	2.0
117.06995	1.2
119.08575	5.4
121.10140	14.6
123.08069	4.5
123.11726	5.2
125.02341	1.2
125.06011	1.7
125.09633	3.5
126.85048	0.8
127.03922	17.2
129.01854	1.0
129.05461	1.2
129.40660	1.0
131.08569	9.2
133.04950	2.4
133.10136	27.6
133.11110	1.9
135.08025	4.9
135.11734	2.1
139.03912	1.7
139.11217	2.5
143.08537	2.0
145.04979	8.4
145.10138	4.1
147.11708	7.6
149.09644	1.2
149.13277	7.4
150.07553	1.1
151.11198	14.6
153.09119	7.6
158.10933	3.3
159.02875	4.0
161.13303	1.0
163.11168	1.1
163.14832	2.8
165.12773	2.9
167.14320	15.8
169.12294	2.4
173.04144	0.9
173.13280	19.1
175.14941	1.3
177.05479	2.2
181.12224	2.7
189.03970	1.4
191.14319	25.0
198.41444	0.8
205.04961	1.2
209.15376	100.0
213.03896	1.5
223.05992	1.6
227.16452	17.7
231.04852	5.5
241.07175	2.2
249.06184	3.7
301.09360	1.3
327.07086	5.6
341.19644	2.5
345.08118	7.6
363.09232	1.4
439.19772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01867	2.4
55.05516	9.6
57.03441	4.3
57.07075	1.8
59.04997	1.3
61.02917	1.8
62.23906	0.7
67.05243	0.6
67.05507	6.8
68.99790	0.9
69.03436	24.9
69.07059	2.3
69.69963	1.4
69.70378	2.5
71.04981	2.2
73.02900	1.6
75.26023	0.8
79.05494	5.6
81.03418	8.3
81.07068	10.6
83.04991	14.5
83.08618	7.1
85.02911	24.3
85.06533	2.4
85.27163	0.7
87.00834	11.5
87.04478	5.7
91.05470	4.1
93.07047	6.5
95.04971	10.1
95.08614	3.8
97.02300	1.5
97.02899	25.8
97.06515	5.9
97.10148	1.0
99.04460	7.4
105.01870	18.0
105.07043	7.0
107.04955	1.3
107.08601	11.1
109.02883	6.6
109.06522	10.8
109.10161	19.3
111.04444	3.3
111.08079	3.2
113.06040	0.7
115.03934	8.2
115.07567	2.0
117.06989	1.2
119.08569	4.8
121.10144	10.6
123.04429	0.9
123.08030	4.5
123.11719	4.5
125.09628	3.4
127.03922	18.3
127.07534	1.0
129.05469	1.8
131.08588	6.5
133.04970	2.9
133.10138	25.6
135.04401	0.7
135.08101	4.1
135.11711	2.8
139.03941	1.7
139.11165	2.5
140.54797	0.8
143.08611	0.9
145.04974	9.8
145.10126	3.8
147.11691	5.2
149.13255	6.6
150.07611	0.8
151.11194	14.3
153.09137	6.0
158.10890	2.6
159.02881	2.7
161.13237	0.9
163.14809	2.8
165.12775	2.6
167.07143	0.9
167.14330	14.6
169.12283	2.3
173.13278	17.8
175.14925	1.3
177.05400	1.6
179.14285	0.9
181.12227	2.4
181.15923	1.4
189.03955	1.8
191.14308	25.0
205.05008	1.1
209.15375	100.0
213.03922	3.5
215.05565	2.0
223.06027	2.1
227.16417	18.5
231.05026	7.5
233.15237	1.3
241.07068	3.1
249.06094	3.6
301.09335	1.4
309.06287	0.9
327.07068	5.1
341.19583	2.3
345.08163	8.9
363.09164	2.1
421.18610	0.8
439.19772	1.5
457.20364	1.7
533.30762	0.7
584.49054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03938	1.8
55.01862	1.8
57.03428	1.2
61.02909	1.8
68.99801	0.8
69.03083	0.6
69.03438	8.1
69.95406	0.4
69.97849	1.0
69.98238	1.1
70.06591	0.9
71.04985	1.0
73.02914	1.1
76.09739	0.4
79.05484	1.4
79.84222	0.4
81.03423	8.5
81.07055	0.8
84.08170	0.5
85.02911	19.7
85.07937	0.4
87.00840	5.8
91.03917	0.7
91.05474	3.6
92.64632	0.4
93.07043	1.3
94.04179	1.9
95.04981	1.0
97.02900	6.5
97.06593	0.6
98.97598	0.7
99.04438	2.9
103.05475	1.6
105.01868	4.7
105.07035	4.9
107.04962	2.1
107.64605	0.5
109.02879	7.8
109.06554	1.3
111.04457	0.7
115.03933	1.0
115.05463	3.4
117.01905	1.3
117.07028	1.9
119.04932	0.8
119.08602	1.4
121.06494	3.6
122.03667	5.3
127.03926	13.4
128.06207	1.0
129.01848	1.2
129.07011	2.1
131.04918	2.0
131.08525	0.6
132.05684	1.6
133.06494	3.8
137.05983	100.0
138.09181	0.9
141.07033	0.6
143.06053	0.5
145.03908	0.8
145.04968	7.2
145.06465	2.2
146.03613	1.0
147.02913	0.8
147.04424	1.8
147.08037	3.3
149.05984	3.8
151.07520	1.6
155.05020	0.8
159.02914	5.0
159.08122	2.9
160.05174	1.1
161.04640	0.7
161.05988	15.4
162.06744	0.9
163.03952	0.6
163.07565	1.5
167.07086	0.5
171.07980	0.5
172.05237	0.7
173.06059	0.8
175.07556	24.6
177.09177	1.1
179.07047	1.2
187.07550	8.7
189.03986	0.8
189.05487	0.7
190.07785	1.9
191.06990	1.0
191.08560	7.3
193.08575	1.9
199.07594	4.0
201.05418	0.6
202.07788	0.8
203.08546	2.4
205.06523	0.9
205.08401	0.6
207.08107	0.9
208.08900	0.9
217.08569	1.3
218.07292	1.5
219.04921	0.6
219.08060	10.6
219.10135	0.8
220.08864	1.6
221.05984	0.6
221.09520	0.6
223.11145	0.6
229.08640	1.0
231.05014	4.1
231.08011	3.0
232.08823	1.1
233.09764	0.5
234.06783	0.5
235.07500	1.3
236.08350	2.3
237.09209	0.7
241.08441	0.7
241.94008	0.5
243.08063	0.6
247.07561	6.1
248.08328	1.7
249.06129	0.6
249.09055	0.9
251.10680	18.0
252.84789	0.5
253.08664	0.8
259.07639	2.6
260.08286	1.3
261.09012	1.1
263.10754	2.0
264.07855	2.0
265.08707	0.9
266.09296	0.7
267.09976	0.5
268.11237	0.5
274.10538	0.7
276.07953	0.7
277.08597	0.7
278.09442	0.5
279.10178	14.2
280.10815	0.8
281.08154	1.2
283.09845	0.7
283.13272	0.5
289.08533	0.6
291.10202	6.1
292.10745	0.6
295.09692	0.7
296.10437	1.5
303.10187	1.6
308.10315	0.6
309.11182	1.5
311.12784	50.2
317.06296	0.6
321.11282	2.1
323.12796	18.8
325.10812	0.9
329.13950	1.1
333.11252	1.7
335.12860	4.5
337.14288	0.6
341.13992	5.1
345.11240	0.7
347.12912	1.1
353.13910	3.6
359.12766	0.7
365.13922	1.4
373.14288	0.8
377.13968	1.6
383.12189	0.5
387.12253	0.5
389.13013	0.4
401.13657	3.0
419.14996	1.6
437.16013	1.2
462.19257	2.0
505.14935	0.6
520.89038	0.6
523.15863	2.8
541.17072	2.2
559.17975	2.5
560.60492	0.6
589.19629	0.7
624.24384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
53.22294	1.2
55.01860	4.4
55.05515	14.3
57.03429	5.8
61.02937	17.7
65.03938	2.2
67.05505	30.0
69.03426	5.0
69.07071	12.7
69.25525	11.0
71.04987	3.5
73.02906	5.5
79.05070	2.2
79.05497	29.4
81.03414	7.2
81.06588	2.0
81.07060	29.5
81.86609	1.3
83.04976	7.4
83.08618	10.0
85.02910	16.6
85.06564	3.0
86.09669	2.0
91.03992	7.9
91.05480	31.9
93.07050	25.8
95.04958	5.3
95.08610	19.5
97.02899	9.5
97.06535	6.0
97.10178	2.6
98.98471	1.4
103.05454	2.5
104.10706	1.5
105.06390	2.3
105.07035	25.6
107.04947	4.4
107.08601	12.3
109.02874	2.4
109.06506	4.3
109.10142	9.1
111.04486	1.9
111.08099	3.8
115.05476	5.2
117.07024	24.6
119.08578	17.7
121.06497	2.6
121.10161	7.3
123.08043	2.0
123.11721	2.4
124.99979	2.6
125.09630	2.2
127.03898	4.7
128.06197	6.7
129.06999	22.3
130.07707	1.7
131.08563	31.2
133.06491	5.2
133.10146	11.9
135.08058	4.1
135.11685	4.6
137.05943	1.4
137.09605	1.4
141.06990	11.2
142.07750	1.9
143.08549	22.1
145.06464	4.8
145.10133	11.0
147.08014	4.7
147.11713	4.4
149.09613	4.1
149.13203	2.7
151.07570	1.7
154.07732	2.6
155.08565	18.1
157.10146	11.3
159.08080	4.2
159.11691	10.5
160.11218	5.4
161.09644	3.1
163.11180	1.5
165.06943	3.2
167.08563	8.0
169.10143	12.9
171.08076	2.6
171.11671	8.6
173.09589	2.3
173.11694	1.6
173.13226	2.6
175.11172	3.3
177.12718	2.0
179.08530	4.1
181.10139	8.6
183.11700	8.7
184.07356	5.3
185.09602	2.7
185.13266	4.5
187.11130	2.0
190.60426	1.3
193.10132	5.1
193.12012	1.6
195.11674	8.0
195.32166	1.4
197.13235	5.1
199.11238	1.9
199.14844	2.3
201.12796	2.1
203.14389	1.5
207.11676	3.6
209.13260	5.4
211.14847	3.8
213.12773	1.7
215.14256	5.2
219.11830	1.7
221.13307	5.8
223.14871	3.7
225.12715	4.1
231.13763	1.8
233.13283	2.0
235.14842	4.4
239.14230	2.2
243.13766	1.4
251.14284	1.6
253.15985	2.0
257.15506	1.8
258.08984	4.8
259.17035	2.0
271.16882	4.3
285.18454	2.3
323.23758	4.5
333.22156	11.5
341.24768	4.1
351.23212	29.1
369.24246	22.4
387.25250	16.1
415.28235	2.1
425.26822	5.5
433.29242	1.9
443.27960	100.0
444.27902	1.7
461.29013	66.8
477.03760	1.5
485.29245	2.3
489.05429	1.5
502.54300	1.5
503.30283	1.7
605.33014	2.6
623.33514	7.9
624.32465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62704	1.2
53.03939	6.2
55.01870	7.9
55.05515	13.7
57.03201	1.4
57.03442	21.2
59.04994	2.4
60.03780	1.3
60.04536	1.3
61.02930	16.3
65.03939	2.4
66.03625	1.4
66.38454	1.4
67.05508	29.7
69.03430	18.2
69.07082	7.7
69.07412	1.3
70.06577	4.8
71.01338	1.8
71.05000	16.5
73.02920	7.9
73.03269	1.3
79.05495	36.1
81.03424	100.0
81.07061	29.2
83.04980	13.1
83.08623	16.6
84.08118	2.1
85.02445	2.2
85.02912	25.8
85.06554	3.4
86.09690	4.7
87.04471	3.9
91.03962	8.6
91.05490	38.4
93.07053	25.6
95.04370	2.8
95.04967	41.9
95.08613	13.7
97.02898	23.6
97.06529	10.6
97.10189	3.5
99.04481	7.5
99.08077	2.2
101.02379	3.5
103.03952	16.9
105.07030	26.5
107.04970	13.7
107.08599	11.8
109.02876	12.5
109.06522	9.6
109.10148	3.3
111.04422	4.7
111.08101	11.1
111.08745	1.7
113.06030	2.1
115.03956	2.4
115.05489	2.3
117.05505	2.6
117.07012	4.0
119.04948	3.3
119.08592	20.2
120.08148	1.9
121.06491	9.0
121.09336	2.1
121.10149	19.3
123.04420	9.5
123.08076	5.2
123.11700	2.0
125.05940	1.4
125.09636	2.3
127.03936	15.1
129.05484	4.1
129.07002	15.9
131.04959	2.2
131.08577	17.5
133.06467	5.1
133.10124	18.7
135.08049	1.5
135.11687	3.8
137.05971	4.7
137.09627	2.9
140.10655	1.5
141.05527	1.5
141.06998	1.7
142.07834	1.8
145.05003	3.0
145.06442	3.3
145.10153	5.9
147.04401	5.7
147.08061	5.6
147.11697	18.2
149.06027	2.1
149.09618	17.5
151.11214	1.7
153.09125	1.4
157.10127	18.6
159.06587	2.6
159.11731	2.2
161.05931	2.2
161.09624	2.0
163.11188	6.0
165.12762	4.2
171.06580	1.7
173.09547	2.0
175.07578	1.3
175.11185	19.9
177.12766	1.4
179.14365	2.7
180.07129	1.6
183.06555	7.0
188.79230	1.4
189.05438	1.5
189.12747	3.3
191.10590	2.1
193.12245	45.9
197.15363	5.5
198.16795	1.4
201.07605	6.7
204.06601	2.5
207.13745	2.0
211.13307	17.7
213.12646	1.6
217.12193	1.7
223.13214	1.9
225.14856	11.6
231.13823	2.2
235.13297	22.8
241.14317	4.6
247.13173	2.1
249.14859	36.0
253.14415	2.2
259.13336	13.9
267.15921	76.0
273.14835	8.4
277.14365	6.2
280.10822	1.4
283.13312	4.5
285.16953	7.5
289.14529	2.2
291.15839	2.3
295.15494	2.5
299.18506	26.5
301.14413	17.4
309.16983	78.5
310.17596	1.8
319.15378	5.5
321.16962	2.1
324.11377	1.9
333.22720	1.4
337.16541	2.5
339.18134	1.9
351.18033	12.4
363.18008	8.6
375.18079	22.9
393.19083	20.6
411.20245	19.7
429.21036	2.8
461.23669	4.1
521.22955	1.8
623.28802	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34932	0.5
67.05511	0.6
70.33917	1.3
114.16119	0.5
119.08712	0.6
377.17590	0.9
377.60580	0.5
390.18625	0.5
391.19131	1.1
396.24075	0.5
401.17871	0.5
403.19443	1.5
404.20276	1.0
405.20914	2.0
407.22333	0.9
415.19394	0.9
416.20221	0.8
417.20840	1.9
419.22711	2.9
420.23242	0.7
429.21097	0.9
430.17795	1.2
431.18463	1.7
431.23029	1.4
432.19153	1.0
433.20264	5.1
434.20963	0.9
443.18570	1.1
444.19501	1.6
445.19968	3.1
446.21045	2.5
447.22003	3.3
448.22626	0.7
449.23260	0.8
458.20886	5.9
459.21814	4.3
460.23099	3.3
463.21497	1.5
471.22290	0.8
473.23608	1.1
475.21500	1.1
476.21863	1.1
477.22931	1.6
505.23242	0.8
510.57263	0.6
518.23389	3.4
521.21814	0.9
530.23395	0.7
533.25446	6.8
535.27563	1.4
545.25397	2.8
546.26233	1.1
563.26556	5.0
573.25378	1.3
577.28754	0.8
605.27484	10.4
623.28656	100.0
624.29266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.6
69.60526	2.6
69.60935	1.2
79.05483	0.6
81.07067	0.7
88.93530	0.6
105.07005	0.6
144.60446	0.6
267.97656	0.7
275.20294	0.9
284.75256	0.6
350.11429	0.6
389.18442	1.0
399.16287	0.7
403.19821	1.1
404.20776	0.8
405.20923	3.0
406.21872	0.8
413.17459	0.8
414.18710	1.0
415.19183	3.3
418.17325	1.0
419.22818	1.0
420.23163	1.4
421.23920	1.6
427.19342	1.5
428.19720	1.0
429.20963	4.7
430.21848	2.7
433.19571	3.4
434.25003	0.8
442.21652	1.2
443.22501	1.5
444.23322	2.7
445.20395	2.0
446.21411	0.9
447.17471	3.7
448.22409	2.7
456.19473	1.1
457.24585	3.7
459.21967	4.2
460.23233	3.1
461.19595	12.5
471.18097	0.8
472.22955	1.6
473.19785	1.1
475.21402	2.0
476.22058	15.6
477.22168	1.1
485.23688	11.8
486.20230	4.2
487.25494	1.2
488.22256	2.1
489.22958	2.6
491.20453	4.8
500.22485	1.7
503.24741	11.3
513.22943	1.6
515.24481	10.0
521.25562	9.1
531.23944	16.7
531.31470	1.1
535.23608	1.3
536.24091	1.7
545.25775	3.1
549.25055	16.4
559.23395	8.0
563.26208	3.2
564.23956	1.4
591.26074	37.8
623.28662	100.0
624.28613	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90916	0.3
60.00681	0.3
70.79008	0.3
70.79345	0.6
98.34750	0.3
100.03942	0.2
127.24482	0.3
178.68466	0.3
204.14241	0.3
238.14598	0.3
273.59793	0.4
292.64017	0.3
296.51410	0.3
335.07526	0.3
363.16428	0.3
374.16101	0.3
376.17200	0.4
377.17761	1.0
378.18503	0.9
389.17938	0.8
390.18713	0.6
391.19238	2.1
392.19907	1.5
393.20483	1.4
400.16797	0.4
401.18179	0.5
403.19534	0.8
404.20819	0.3
405.20804	2.7
406.21579	2.3
407.22311	7.8
407.27490	0.6
413.17770	0.9
414.18515	0.8
415.19254	1.6
417.21341	0.6
419.17850	0.5
419.22324	1.0
420.23141	1.1
421.23901	7.0
422.24692	2.0
427.19385	0.5
428.20056	1.0
429.20966	3.7
430.21323	0.9
431.18317	0.6
433.20020	1.1
433.24307	1.2
442.21771	0.6
443.22693	2.7
444.23196	1.1
445.20541	1.4
446.20959	0.6
447.17856	1.1
447.22668	0.4
449.23230	0.7
456.19434	0.4
457.24854	1.4
458.24966	1.9
459.22159	2.3
460.22662	1.2
461.19162	3.1
462.20651	1.1
463.21484	1.0
470.21487	0.5
471.22061	0.8
472.22668	2.4
473.23566	1.0
474.20404	0.4
475.21170	4.9
476.21490	3.0
477.22495	2.0
484.18909	0.6
485.23517	4.7
486.20596	1.8
487.21432	1.1
488.22110	0.9
489.22983	2.2
491.24820	0.5
499.21341	4.0
500.22040	0.8
503.24579	6.9
504.22775	0.6
505.22314	0.9
507.23953	0.8
508.28342	0.8
513.22955	1.7
514.23792	0.5
515.24341	0.9
517.25800	1.6
518.23370	0.4
521.25983	0.6
529.26263	0.7
531.24194	0.8
535.27246	4.8
545.25482	22.4
546.25330	0.5
549.25024	0.3
563.26508	1.0
564.27423	1.4
573.24988	7.0
577.28125	1.2
591.25970	1.9
605.19324	0.3
605.27570	14.8
623.28638	100.0
624.28937	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53831	0.5
62.94858	0.5
70.79101	1.2
70.79465	0.8
116.49202	0.6
189.00021	0.5
316.33856	0.5
377.17822	1.1
378.18677	1.0
388.17838	0.7
389.18033	0.5
390.18683	0.7
391.19156	2.4
392.19888	2.2
393.20743	1.7
399.16077	1.2
400.16852	1.0
401.17950	1.3
402.19702	0.7
403.19528	0.7
404.20633	1.1
405.20993	3.2
406.21613	3.5
407.22314	11.3
413.17712	1.4
414.18503	2.5
415.19165	3.3
419.22244	1.4
420.23093	2.0
421.23962	9.4
422.24493	2.2
427.19324	1.6
428.19824	2.3
429.20862	11.3
430.22037	1.7
433.19986	1.2
441.21313	0.8
442.21338	1.2
443.22577	6.7
444.23459	4.1
445.20215	1.2
447.17599	1.0
455.18878	1.5
456.19574	1.2
457.23773	3.7
458.25003	5.4
459.21774	6.9
460.22681	2.2
461.18939	6.3
462.20499	1.9
463.21118	1.1
470.21146	1.6
471.21817	1.8
472.22830	6.8
473.23453	2.4
474.19775	1.0
475.21201	6.2
476.21426	3.5
477.22147	2.8
478.24033	0.6
485.23508	14.4
486.20337	2.2
486.24268	2.9
487.20850	1.1
488.22122	1.9
489.22708	3.1
490.24106	0.8
499.21420	4.4
500.22070	2.0
502.23431	1.5
503.24551	7.0
504.24841	1.1
507.24246	0.6
508.28284	1.0
513.22870	3.4
514.23724	1.6
515.24683	0.8
517.26312	9.1
521.25171	0.7
527.24213	0.7
529.26013	1.7
531.24091	1.0
535.27032	5.9
545.25494	83.1
546.25708	1.7
563.26294	0.9
564.27289	1.9
573.15948	1.1
573.24933	21.7
577.28625	0.9
591.25970	1.8
605.27594	86.7
606.27643	1.5
623.28638	100.0
624.28778	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01870	0.8
55.05277	0.4
55.05516	6.2
56.05029	0.7
56.96548	0.4
57.03430	0.8
59.05012	0.4
61.02923	0.3
62.06079	1.2
64.53694	0.4
67.05508	2.1
69.03432	2.9
69.07066	1.9
70.06583	1.3
70.88082	0.9
71.04998	1.7
71.08286	0.5
71.08633	4.7
72.08150	1.8
79.05489	1.8
81.03426	4.3
81.07057	3.7
82.06583	0.5
82.78383	0.4
83.04986	9.4
83.08599	0.5
84.04516	0.5
84.07687	0.5
84.08144	5.1
85.02910	2.2
85.06523	0.6
85.08456	0.5
86.06071	11.3
86.09710	0.7
86.39262	0.3
88.92197	0.3
91.05473	1.2
93.07024	1.4
95.04962	0.5
95.08597	1.9
96.08133	3.7
97.02903	2.0
97.06521	1.5
98.06052	0.9
98.09105	0.6
98.09698	7.1
98.97576	0.4
99.04438	0.7
99.08099	2.9
100.07627	0.5
100.11262	0.4
101.05396	0.6
101.06024	6.6
104.07110	0.7
105.07024	1.1
107.08591	1.2
108.08134	2.0
109.02885	2.2
109.06527	0.4
109.10140	1.5
110.06042	0.4
110.09666	0.4
111.04446	9.0
111.08164	0.5
112.07620	0.6
113.08381	0.4
114.09184	0.7
116.10738	21.3
117.07043	0.5
119.08559	1.1
120.08078	0.4
121.06502	0.7
121.10155	0.7
122.09663	1.2
123.11665	0.4
124.07551	0.7
125.05935	0.3
125.09680	0.5
126.09156	1.0
127.03905	1.9
127.07531	0.5
129.05487	3.1
130.08702	0.4
133.10130	1.0
134.09624	0.5
135.11629	0.4
136.07590	0.4
136.11224	0.5
137.05890	0.4
137.09674	0.6
140.10675	0.7
142.08638	3.1
142.12267	0.7
143.08484	0.4
143.10686	6.1
145.04996	0.8
147.06480	0.9
147.11591	0.5
149.09566	0.4
150.12823	0.4
152.07112	0.4
154.08597	1.1
154.12193	0.4
154.15916	2.9
155.07037	1.8
163.03902	0.8
163.07558	0.4
164.10768	2.0
164.14392	0.6
165.12801	0.5
166.15929	2.2
168.17484	0.7
172.09622	0.5
173.02266	0.4
173.08153	0.7
178.15932	1.5
180.13930	0.4
180.93646	0.3
182.15404	1.4
184.07449	0.4
190.12285	1.0
196.16983	8.2
198.14958	0.4
206.11749	1.2
208.13310	2.1
214.18027	100.0
215.18361	0.8
224.12814	0.6
226.14374	9.4
229.10721	0.5
244.15451	1.1
259.09619	0.8
273.09833	0.6
303.23233	0.6
321.24161	0.7
324.21722	2.3
338.27078	0.6
352.17596	3.9
355.15417	0.5
356.15515	0.3
370.18588	2.5
373.30743	0.8
374.30713	1.4
381.14951	0.5
388.19644	15.0
450.24933	6.3
468.25742	2.1
486.27042	13.7
486.34253	0.6
506.25983	0.8
524.27063	8.8
526.98901	0.4
586.31555	0.4
590.22253	0.4
604.33246	2.4
622.24457	0.6
622.34314	10.6
623.34521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86952	0.3
53.03939	0.7
55.01868	0.9
55.05283	0.4
55.05516	2.5
57.03452	0.6
57.07069	0.6
59.69128	0.3
61.02928	0.6
65.03951	0.6
67.05509	6.4
68.05038	1.6
68.64360	0.3
69.03435	3.0
69.07069	2.6
70.06598	37.2
71.05002	2.0
71.06924	0.6
71.53154	0.4
72.08157	4.4
79.05492	2.7
81.03437	1.6
81.07060	8.5
83.04992	1.0
83.08631	1.1
84.04515	0.4
84.08151	0.5
85.02908	3.9
85.06543	0.9
86.02437	1.8
86.06081	3.7
86.09719	1.0
87.00829	2.6
87.04459	0.4
87.05610	0.3
88.07637	100.0
90.87628	0.3
91.05482	1.6
93.07060	4.2
95.04971	0.8
95.08611	6.3
96.04504	0.4
97.02908	1.3
97.06532	0.9
98.06097	0.4
98.97589	0.4
99.04475	0.7
105.01874	0.8
105.07035	1.3
107.08607	3.2
108.49646	0.3
109.02882	1.8
109.10168	4.1
110.07050	0.3
110.10529	0.6
111.08109	0.6
114.04734	0.5
114.05537	10.0
117.07030	0.4
119.08607	1.7
120.08140	1.8
121.10151	3.0
123.08092	0.3
123.11733	1.8
125.09637	0.3
127.03940	2.5
131.08549	1.0
131.10577	0.3
133.10130	1.8
135.08080	0.4
135.11713	2.7
136.12032	0.6
137.05962	0.4
137.09615	1.3
137.13292	0.4
139.11250	0.4
139.70461	0.4
145.04958	1.0
145.10153	1.1
147.11664	0.8
149.09612	0.4
149.13281	1.5
151.14761	0.4
156.10226	2.8
159.02983	0.6
159.11690	0.9
161.13307	0.5
163.03983	0.4
163.11203	0.6
165.14151	0.3
166.08673	0.3
170.11758	1.3
173.13324	0.5
184.13396	1.4
191.14351	0.5
191.17972	1.2
193.15988	0.6
194.16342	0.4
196.13339	0.5
198.14902	3.0
200.12827	1.3
205.19621	0.4
211.17046	0.8
212.16649	1.4
213.91476	0.3
214.14442	0.4
215.18002	1.2
219.14951	0.7
224.16394	0.7
226.18144	0.5
229.15475	3.6
233.19089	1.0
238.18027	0.6
251.20081	0.4
266.21173	0.5
280.22693	0.4
320.25882	14.8
338.26913	34.3
339.27319	0.7
356.27969	33.4
374.29044	51.1
375.29288	0.8
430.20007	0.4
442.31543	0.4
460.32947	0.4
604.33197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.3
55.01875	7.7
55.05515	23.6
55.90626	1.2
57.03444	8.3
61.02928	1.5
64.13618	0.9
65.03943	3.8
65.24411	0.9
67.05511	30.2
69.03093	1.1
69.03427	13.3
69.07078	9.5
69.54877	1.0
71.01351	1.3
71.05002	6.3
71.54195	1.0
73.02907	2.1
76.90717	0.9
79.05500	34.9
81.03424	100.0
81.06590	1.8
81.07064	36.7
83.04990	15.4
83.08625	21.0
85.02915	21.5
85.06557	2.4
85.89403	0.8
86.09682	1.1
87.04466	1.3
91.05490	42.4
93.07051	25.1
93.70642	0.8
94.16816	1.0
95.01375	1.0
95.04975	31.2
95.08620	17.1
97.02891	15.4
97.06545	5.4
97.10172	9.5
98.97584	1.3
99.04460	4.5
99.08098	1.4
101.02444	1.4
103.03967	1.5
103.05494	1.3
105.04522	1.5
105.07037	27.8
107.04975	12.8
107.08605	12.9
109.02891	22.5
109.06518	6.9
109.10142	8.0
111.04458	10.2
111.08092	9.2
113.06031	1.8
115.05468	2.7
117.07027	10.3
119.04980	2.8
119.08591	20.5
119.09382	1.7
121.02925	1.3
121.06531	8.2
121.10134	11.7
123.04459	5.3
123.08041	5.2
123.11736	2.8
125.02364	3.4
125.06075	1.0
125.09641	6.7
127.03939	8.1
127.07539	1.0
128.06250	2.2
129.06996	14.8
131.04976	4.5
131.08577	15.9
133.06511	7.4
133.10143	12.3
135.04439	1.5
135.08075	4.0
135.11714	3.8
137.02393	1.7
137.06033	2.2
137.09669	2.9
141.06985	2.0
142.07829	3.6
143.08597	3.9
145.06500	7.2
145.10132	6.5
147.04388	5.2
147.08081	6.0
147.11700	16.4
149.05991	2.7
149.09633	5.9
151.07533	1.3
151.11137	1.5
153.09164	1.6
153.12799	2.0
153.21854	1.0
155.08598	5.3
157.06544	3.6
157.10139	14.8
157.11334	1.4
159.04564	1.4
159.08086	2.3
159.11710	2.7
161.06029	4.4
161.09610	1.5
161.13188	1.3
163.03975	4.3
163.11226	7.0
165.07004	1.0
165.12767	5.5
169.10143	3.3
171.04466	1.0
171.08070	3.4
171.11658	2.2
173.04500	7.0
173.06039	3.3
173.09622	2.7
173.13255	1.0
175.07664	1.2
175.11209	12.7
177.12849	1.4
178.07689	1.0
179.08588	1.0
181.10280	0.9
181.12285	3.3
183.08025	1.4
183.11719	1.5
185.06029	1.7
185.09679	1.1
185.13329	1.3
187.07605	1.5
187.11285	2.0
189.05504	2.1
189.09279	1.3
189.11263	3.3
189.12799	1.9
191.10718	3.5
193.10464	1.7
193.12262	32.5
195.08217	1.3
195.11710	1.6
197.09682	1.6
197.67993	1.0
199.11195	1.7
203.10872	1.2
205.12184	1.3
207.13812	1.4
211.13301	38.4
213.05424	1.0
213.12889	1.3
214.18034	1.1
217.12448	1.2
223.11398	1.3
223.13329	2.3
227.12630	4.6
229.14371	2.0
231.13812	1.5
233.15416	2.1
235.11195	1.2
235.13342	3.5
237.12683	1.4
243.13904	2.1
247.13458	1.5
249.14915	3.0
255.13881	2.5
259.13361	2.7
261.14828	1.4
267.09076	1.2
267.15942	13.9
269.12488	2.0
271.13141	1.7
271.16928	0.9
273.14795	9.2
283.13089	2.0
283.15787	1.3
285.10233	1.1
285.17090	11.9
289.14600	1.4
291.16174	1.9
301.14316	10.6
303.15860	1.6
319.15405	5.8
319.26477	1.3
337.16479	4.1
341.17444	1.3
355.17740	2.1
357.24429	1.2
367.22803	3.3
375.17947	4.7
385.23819	5.7
393.18869	4.9
394.07428	1.3
403.24911	3.0
409.23590	1.4
411.20520	1.7
429.19327	1.5
441.26596	2.6
459.27670	8.5
475.25943	1.0
477.28543	9.0
489.11996	3.3
493.26303	1.9
495.29706	7.0
501.28427	1.7
511.27164	1.6
529.27655	1.3
539.30005	1.3
543.29639	2.2
547.28723	1.4
567.29449	3.4
573.30798	3.4
585.30627	12.9
603.31793	14.8
621.32770	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.05511	8.8
56.84690	0.9
57.03421	1.7
57.07082	2.2
59.04994	1.9
61.02896	2.0
65.17300	1.0
66.90209	1.0
67.05183	1.5
67.05508	15.6
69.03436	8.9
69.07069	12.1
70.06599	14.0
71.04987	3.7
71.53750	1.2
72.08157	5.1
79.05490	4.7
81.03417	4.2
81.07051	17.7
83.04995	8.5
83.08612	7.9
85.02918	11.1
85.06533	4.4
86.06063	1.3
86.09705	2.4
87.00828	5.0
87.28069	1.0
88.03473	1.0
88.07639	19.3
91.05481	4.4
93.07043	11.0
95.04980	2.5
95.08608	32.7
97.02888	5.9
97.06533	2.6
97.10191	1.4
98.97681	0.9
99.04482	2.1
99.08092	3.7
100.05769	1.0
105.01885	5.0
105.07029	7.5
107.08588	23.7
109.02872	4.5
109.06528	6.8
109.10159	93.2
111.08067	2.5
113.09669	1.7
117.72304	1.0
119.08585	41.5
120.08094	2.5
121.06573	1.2
121.10138	13.4
123.08076	12.1
123.11673	8.3
125.09690	1.4
127.03915	6.3
133.10130	26.4
134.10533	1.8
135.11696	100.0
137.06015	2.5
137.09621	16.4
137.67924	1.2
139.11153	2.6
145.02884	1.1
145.04980	2.7
147.11711	1.9
149.13287	6.1
151.11203	7.7
151.14824	11.2
153.12723	3.2
159.02933	1.3
163.03986	2.0
165.16364	2.1
166.72452	1.0
175.14830	45.1
191.14294	1.9
193.15883	68.5
200.93401	1.1
211.16936	83.5
211.85977	1.4
213.05560	1.7
214.38437	1.0
219.14883	1.1
229.15479	3.6
311.12759	1.2
320.25769	1.7
336.25278	2.6
337.25687	4.4
337.29932	1.0
337.62289	1.2
338.26962	2.4
354.26138	1.2
355.15350	3.1
355.26819	4.2
356.27972	3.4
372.26740	1.2
373.27863	2.8
374.29037	4.9
429.19043	2.4
621.27399	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.73684	0.6
53.41490	0.6
53.52216	1.0
55.46395	0.7
68.85711	0.6
70.01853	1.5
70.02254	1.2
111.68551	0.7
156.24356	0.7
221.18654	0.7
348.89511	0.7
387.16177	1.1
388.16812	2.0
389.17758	3.0
390.18329	1.7
401.17917	1.2
402.18774	1.1
403.19336	3.2
404.20026	2.9
405.20645	1.2
415.19443	1.0
417.16290	1.1
417.20856	2.7
418.21774	1.2
419.22552	3.9
431.17825	3.7
432.19235	1.2
433.19788	1.2
445.20709	4.4
446.20926	3.0
447.21884	7.6
459.18448	4.0
461.19989	3.0
473.19339	1.7
474.20465	7.8
475.21353	13.4
476.21332	0.8
487.21503	3.5
501.22620	2.8
505.26086	1.7
529.22797	0.9
533.25513	8.7
561.25012	34.1
562.26404	0.9
589.24530	1.2
621.27148	100.0
622.27814	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05528	0.3
57.07062	0.2
57.58141	0.2
60.89336	0.2
63.41143	0.2
71.54939	0.4
73.36032	0.2
81.07088	0.3
93.07059	0.3
100.68867	0.2
103.62630	0.2
111.04432	0.3
117.07027	0.3
121.06461	0.3
149.97177	0.2
221.10875	0.4
223.12326	0.2
235.12224	0.3
241.28880	0.2
243.72112	0.3
305.41003	0.2
309.03415	0.2
313.11978	0.3
338.16400	0.3
374.15375	0.4
375.16290	0.9
376.17673	0.4
387.16336	0.8
388.16901	0.9
389.17697	2.9
390.18512	1.0
391.19229	0.8
401.17810	1.0
402.14227	0.4
402.19116	1.2
403.19510	4.2
404.20193	1.7
405.20853	2.4
415.19409	0.9
416.16135	0.8
416.20554	0.6
417.17111	3.3
417.21100	2.6
418.17599	0.6
418.21988	0.7
419.22504	7.8
420.22980	0.6
425.17618	0.3
429.17242	0.8
430.18002	0.9
431.18192	7.1
431.23386	0.8
432.19217	2.8
433.20175	1.8
443.18747	0.7
444.19931	0.5
445.20160	6.4
446.21008	6.3
446.26578	0.4
447.21869	9.9
448.22986	0.4
459.17484	0.9
459.22018	2.2
460.18762	0.7
460.23819	0.4
461.19580	1.7
463.21289	0.4
471.18552	0.3
473.19366	0.9
473.23911	1.0
474.20508	4.8
475.21347	8.0
478.23679	0.4
486.20239	0.3
487.21405	3.2
488.22125	0.9
490.23770	0.4
491.19635	1.3
491.25986	0.3
501.23148	2.1
505.26169	0.8
506.23630	0.3
517.22400	0.5
518.22974	0.6
519.20483	0.7
529.22546	0.5
533.25586	16.7
546.22009	0.3
561.25024	22.6
562.25165	0.4
565.28705	0.4
589.24738	0.8
593.27667	3.7
621.27118	100.0
622.27338	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
55.37134	0.6
63.53253	0.7
67.05505	0.8
69.38555	0.7
71.55001	0.8
81.07066	1.0
95.04976	0.6
95.08604	0.7
109.06493	0.7
121.00371	0.7
221.10786	0.7
223.12431	0.7
226.83940	0.7
229.91451	0.7
233.10733	0.8
291.19385	1.1
347.70398	0.6
375.16147	1.0
387.16330	1.0
388.16855	1.3
389.17856	3.4
390.18872	1.0
401.17776	1.8
402.18701	1.4
403.15656	0.7
403.19479	7.2
404.20166	3.4
405.20764	1.6
415.19693	0.9
416.16214	1.8
417.16922	3.5
417.21814	5.1
418.17026	1.0
418.21753	2.0
419.22394	10.0
429.16638	1.0
430.17889	1.4
431.18121	8.3
431.23611	1.3
432.19699	2.5
433.20517	1.6
443.18689	1.1
444.19626	1.0
445.20215	8.5
446.21204	5.3
447.22006	9.6
457.20160	1.0
458.20819	0.9
459.17245	1.7
459.22092	3.4
461.20016	1.3
473.19308	0.9
474.20462	9.2
475.21326	15.5
487.21078	3.6
488.22324	2.0
491.20270	0.7
501.23181	4.2
502.23755	1.0
505.26450	1.3
518.23004	0.8
533.25488	11.8
561.25000	76.6
562.25867	1.0
589.24548	2.1
593.27704	3.6
621.27124	100.0
622.27325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.99011	0.3
63.76863	0.3
70.78677	0.5
70.79012	0.8
70.88953	0.3
71.32664	0.3
77.23491	0.3
122.41686	0.3
209.10669	0.5
253.18750	0.4
374.15643	0.5
375.16248	1.0
376.17169	0.4
387.15921	0.5
388.17255	1.1
389.17761	2.5
390.18634	1.2
391.19321	1.1
401.17917	1.1
402.18448	1.0
403.19458	3.9
404.20129	1.9
405.20929	1.9
408.23819	0.3
415.19724	0.7
416.16504	1.5
417.17145	4.0
417.21210	2.3
418.17413	0.5
418.22253	0.8
419.17575	0.6
419.22440	6.9
429.16791	0.5
429.21588	0.6
430.17996	1.4
430.22751	0.5
431.18100	7.0
431.23694	0.7
432.19095	3.0
433.20120	2.4
444.19827	0.5
445.20135	5.0
446.21143	6.2
447.21805	8.8
459.17328	0.7
459.22040	1.7
460.18491	0.6
460.23254	0.5
461.19223	1.8
463.21783	0.6
473.19135	1.2
473.24509	0.6
474.20541	6.1
475.05496	0.4
475.21243	6.8
477.23251	0.4
487.21567	3.0
488.22116	0.5
491.20801	1.2
501.23251	1.8
503.20596	0.5
505.26547	1.7
518.23663	0.8
519.19934	0.6
529.22473	0.5
533.25507	15.9
546.22675	0.9
561.25006	22.8
562.25513	0.7
589.24146	0.8
593.27576	3.8
621.27118	100.0
622.27185	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	619.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66027	0.6
53.03944	1.8
55.01870	0.8
55.55098	0.5
56.56187	0.5
61.02926	1.1
65.03915	0.6
68.99793	1.0
69.03441	5.5
69.48130	4.1
70.06583	1.1
71.04979	1.0
72.08145	0.6
73.58629	0.5
78.04722	2.5
79.05489	4.9
81.03426	3.3
84.28408	0.5
85.02910	9.5
86.09725	3.2
86.24628	0.5
87.00852	3.1
87.01268	0.6
91.04005	0.7
91.05510	2.8
95.04961	1.5
97.02936	2.6
98.97588	0.7
99.04453	2.0
99.12055	0.5
103.05486	2.2
104.06261	0.7
105.01876	2.2
105.04518	0.6
105.07046	5.6
106.04167	2.2
107.04970	10.8
109.02264	0.6
109.02887	4.1
115.05468	3.4
117.07027	1.9
118.04190	0.8
119.05022	0.8
119.08590	2.1
121.06499	1.7
123.04456	4.8
124.05209	3.0
125.06045	0.8
127.03922	7.0
128.06203	1.7
129.01814	0.7
129.07014	7.4
131.04932	4.6
132.05730	2.4
133.06503	4.8
137.06033	1.0
141.07013	1.0
144.05672	1.5
145.04962	1.5
145.06366	1.1
147.04422	0.7
147.08046	2.7
149.05994	1.1
151.03960	1.3
152.04668	0.9
153.05515	2.7
155.04930	1.6
155.07060	0.8
156.05702	1.5
157.06551	1.1
159.02884	2.2
159.08057	6.2
160.05217	2.2
161.05998	8.5
163.07553	0.6
165.06937	0.5
167.07051	100.0
169.06580	0.8
171.08076	0.9
172.05206	1.8
175.07559	25.7
176.04678	0.8
177.05496	1.8
178.07729	1.0
179.07040	1.4
179.08568	0.6
181.06444	0.7
184.05214	1.3
185.06078	0.6
187.07555	20.9
189.07051	1.4
189.09137	1.8
190.07756	1.2
191.07043	12.1
191.08583	1.1
192.53734	0.6
193.08548	1.5
199.07570	8.9
202.07851	2.2
203.08609	2.9
205.06668	0.8
205.10191	0.7
206.07262	2.4
207.08058	1.6
209.08081	3.3
215.08612	3.2
217.06557	1.2
217.08551	1.5
218.07324	3.3
219.08070	1.5
220.08981	1.1
221.09625	3.9
223.07597	0.6
229.06538	0.7
231.05138	0.8
231.08078	2.4
232.08868	1.8
233.09673	3.6
234.06776	2.0
235.07603	2.2
243.08101	0.8
245.05907	1.2
246.06789	1.6
247.07521	2.0
248.08414	1.3
249.09142	6.8
250.09912	1.0
251.07150	1.8
257.06049	0.7
259.07593	1.2
260.08319	2.0
261.09149	5.6
262.06360	0.6
263.07062	3.3
263.10498	0.6
265.08823	1.0
265.12335	0.7
266.09399	1.3
273.08981	0.9
274.06259	1.5
275.06961	1.5
276.07849	0.8
277.08640	4.6
278.09570	2.7
279.06470	0.7
279.10327	0.8
281.11755	7.0
288.07898	0.6
289.08582	5.8
290.09448	2.0
291.06674	1.2
291.10104	1.5
292.07410	0.7
292.10712	0.7
293.08582	0.6
293.11731	2.4
294.08884	1.8
295.09631	1.3
303.09943	0.9
305.07889	0.9
306.08914	2.4
307.09662	2.0
309.11215	8.8
310.12122	0.7
311.09079	0.8
321.11240	11.3
322.12039	2.2
323.09079	1.6
325.14368	1.0
326.11536	2.7
333.11237	0.8
337.10855	0.6
338.11478	1.5
339.12003	0.6
341.13861	39.7
351.12347	1.8
353.13858	30.5
365.13904	1.0
371.14841	2.0
383.14862	0.9
395.14871	1.1
431.15173	1.1
553.16101	0.6
571.62500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03615	0.3
50.17777	0.4
50.62718	0.4
54.43474	0.4
55.05504	0.9
56.05027	1.2
56.96298	0.7
56.96566	9.3
58.06585	1.1
60.08160	6.5
60.87843	0.4
66.02259	0.4
67.05498	1.3
69.07044	0.4
71.07375	5.1
71.23885	0.5
71.95260	0.8
72.08145	1.0
72.96014	0.6
79.05477	0.6
80.33390	0.5
81.07043	1.1
82.25380	0.4
84.96043	3.8
86.09708	21.2
88.91933	0.4
93.07021	0.8
95.08591	1.2
98.97581	3.9
102.77580	0.4
102.92614	1.1
104.10745	100.0
105.07058	0.9
107.08568	0.8
110.97612	1.4
112.99170	0.6
116.98634	1.3
118.92101	1.2
119.08585	0.7
121.10207	0.4
124.99120	0.9
124.99997	2.0
128.98611	1.2
131.00153	1.1
136.93109	4.7
140.98645	0.9
143.00136	2.3
144.98082	1.1
146.99663	0.5
149.01288	0.5
154.94186	4.8
155.00145	0.8
158.99715	0.5
161.01253	1.7
162.94719	2.3
162.99156	1.0
167.06612	0.4
172.95290	3.9
173.01231	0.7
180.95769	9.7
181.02591	0.5
182.99658	1.0
183.99965	0.5
184.07356	1.1
190.96402	1.9
195.96968	0.5
198.96829	19.8
201.00703	1.1
202.00992	0.6
203.97362	0.6
210.96881	1.5
216.97847	9.3
221.98457	2.5
228.97917	3.2
236.98291	0.7
239.09729	0.4
239.97275	0.4
239.99527	0.9
240.09999	2.9
240.96999	0.7
242.98312	0.4
246.95851	0.6
247.30299	0.4
254.99409	1.3
258.04233	0.6
264.96945	1.2
265.97006	0.4
273.00525	0.4
282.04074	0.7
282.98001	2.7
283.98151	0.7
290.58633	0.4
296.99652	0.6
299.44043	0.4
300.05234	0.6
300.99072	1.6
314.06528	0.6
317.17963	2.1
318.18207	2.2
319.19440	13.5
335.19092	0.9
336.19321	1.0
337.20499	17.1
337.26932	0.6
360.22073	3.3
375.02704	0.5
375.22040	0.7
439.19296	1.2
443.18927	1.5
455.18790	1.7
472.17801	0.5
473.19888	4.6
496.21500	1.0
499.21350	4.8
502.26031	8.1
502.32770	0.6
507.23785	0.5
558.28650	16.4
618.23126	20.9
618.31128	14.7
619.23169	0.6
632.46582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87724	0.3
55.05519	0.6
57.07080	6.7
58.06596	1.7
59.83177	0.3
65.03920	0.6
67.05486	0.4
69.07048	0.8
70.06593	13.8
70.18521	1.1
70.18864	0.4
71.08627	2.4
72.08128	0.4
74.06064	0.6
81.03436	0.4
81.07056	0.6
83.04990	0.5
85.02891	0.6
85.10152	0.6
88.07630	18.2
92.13298	0.3
95.04978	0.3
102.09181	13.6
103.05447	0.4
105.03456	0.3
107.08536	0.3
119.08560	0.5
121.02841	0.4
121.10101	0.4
131.04918	0.3
136.61575	0.3
147.04413	0.5
149.02344	35.6
153.06906	0.4
175.03899	1.2
193.04965	44.9
212.23845	0.4
219.06459	0.9
221.00844	0.3
225.05554	0.9
256.26358	36.5
269.04416	1.5
289.20999	0.3
297.03885	2.7
313.07074	3.2
341.06546	9.4
359.07632	6.2
385.09180	45.2
596.31543	0.4
614.33221	100.0
615.34125	1.4
621.88721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13960	5.2
51.53893	3.3
51.94424	4.0
55.05502	12.8
55.22335	4.3
55.75057	3.8
57.07068	9.0
59.04994	13.4
62.32167	3.7
65.03932	4.9
67.05519	20.3
69.07048	11.5
69.21226	37.7
79.05483	15.3
81.07056	19.9
83.08636	7.5
85.06559	18.9
89.06025	5.3
91.05488	31.1
93.07036	35.9
95.04959	6.7
95.08618	30.8
96.89056	3.7
97.06511	5.5
102.69458	3.8
105.07028	39.6
107.08607	24.8
109.06523	10.1
109.10152	15.5
111.08080	10.1
117.07042	9.8
119.08592	55.1
121.06503	4.5
121.10173	27.6
123.08066	32.2
123.11742	7.9
125.09599	9.7
131.08546	16.6
133.06523	4.8
133.10150	35.1
135.08014	8.4
135.11684	15.7
137.09660	10.7
142.07756	9.1
143.08549	13.6
144.09268	4.6
145.10135	32.3
147.08049	19.1
147.11707	15.2
149.09633	10.1
151.07568	28.2
151.11197	6.6
155.08557	6.5
156.09312	4.2
157.10143	18.1
159.11716	22.5
161.09622	4.6
163.11203	10.0
165.09128	24.0
168.09326	5.8
169.10063	9.2
171.11682	13.8
173.13229	14.2
175.11229	6.5
175.14839	11.6
181.12209	12.4
182.10962	4.5
183.11673	4.5
185.13307	4.4
187.14845	5.2
189.12785	4.6
195.11653	8.4
197.13293	10.0
203.14291	11.5
207.13754	12.7
209.13211	7.9
221.13402	5.7
221.15405	60.2
222.14072	4.7
223.14815	5.3
223.16957	6.8
233.02194	4.5
235.14769	5.2
489.51434	4.2
491.34628	7.0
565.40375	4.4
569.92786	4.6
583.41528	18.9
588.06793	4.0
597.42499	11.4
615.44055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.483
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.93958	1.5
53.03940	1.7
53.10480	1.4
53.40565	1.4
55.05514	15.4
57.03437	3.7
57.07062	1.6
65.03941	1.8
66.91927	1.4
67.05508	46.8
69.07075	15.2
69.27674	4.3
69.28082	8.6
72.04504	1.4
79.05500	27.9
81.07066	50.8
83.08621	7.6
85.06552	2.1
87.39085	1.7
90.16533	1.5
91.04978	1.9
91.05490	19.9
93.07051	33.5
95.08613	37.7
95.09177	2.6
97.06559	2.1
97.10162	4.7
99.08118	1.9
102.18172	1.7
105.07037	23.3
106.92330	1.4
107.08598	19.0
109.06579	1.7
109.10175	22.3
111.08011	1.5
117.07005	8.3
119.08574	23.0
121.10155	19.5
123.11761	9.0
126.93273	1.6
129.07088	1.9
131.08572	16.5
133.10127	16.7
135.11708	9.1
137.13260	2.5
143.08592	6.3
145.10117	15.1
147.11728	11.3
149.09662	2.0
149.13264	8.2
155.08620	2.1
157.10181	6.1
159.11699	11.3
161.13251	8.7
163.14809	3.2
171.11702	5.2
173.13271	9.1
175.14865	4.6
183.11719	1.8
185.13290	4.4
187.14868	5.0
189.16464	1.7
199.14886	3.7
201.16414	3.6
203.18057	2.6
213.16475	3.1
241.19626	2.1
243.21246	2.0
259.20627	5.4
261.22162	8.8
271.20810	1.7
277.21753	2.0
299.23706	2.0
333.24249	3.8
335.25867	12.8
337.27509	7.4
355.29770	1.7
413.09756	1.6
504.32281	1.8
521.43561	4.7
539.44446	3.1
543.40692	2.6
595.47565	13.2
613.48279	100.0
614.47540	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05508	5.4
56.96586	1.3
57.03431	2.2
57.07087	1.3
59.04974	1.0
61.02929	1.1
63.18847	0.9
67.05511	12.0
69.07066	4.0
71.04997	2.6
71.53758	1.6
72.11176	1.1
74.00661	1.5
76.02192	1.3
79.05495	7.9
80.05017	2.3
81.03438	1.4
81.07061	18.2
83.05009	1.8
83.08619	3.8
84.04507	4.2
85.02911	4.6
91.03955	1.1
91.05489	7.3
93.07052	5.5
95.04970	2.8
95.08621	8.1
97.01160	1.5
97.02891	2.1
97.06541	2.6
97.10180	2.1
98.97584	1.1
99.01425	3.6
100.02222	6.6
105.07061	4.9
106.06548	1.3
107.04984	2.2
107.08585	6.1
108.08108	1.2
109.06532	4.4
109.10157	4.3
111.02641	1.4
111.08050	1.5
112.02177	6.4
113.02935	1.8
114.03757	8.2
115.44926	1.0
116.01685	1.2
116.98572	1.2
117.07072	2.7
119.08612	5.3
121.10172	3.4
126.03703	1.9
129.06673	1.1
131.08586	3.0
133.10146	3.9
135.11682	1.8
140.05307	5.7
143.08632	1.5
145.10123	3.9
147.11717	3.8
149.09627	2.2
152.05287	1.4
153.02029	1.1
154.06828	1.7
163.11165	2.5
165.12778	1.5
168.08449	15.1
173.11813	1.9
173.13249	2.6
185.03896	2.1
191.14368	1.7
202.03940	1.3
216.05736	2.0
229.14336	2.0
230.24806	1.5
231.04381	5.6
236.14668	2.4
241.80357	1.3
255.08060	2.7
264.14194	5.8
267.09238	1.4
270.10364	4.1
271.11069	1.3
275.20038	6.6
285.10144	2.0
293.12646	1.2
296.16800	32.5
297.14462	1.4
301.16495	2.2
307.22693	2.1
333.19016	1.3
349.15921	1.7
364.23276	2.3
365.21347	2.5
382.24121	9.7
398.18661	10.6
399.19650	1.8
467.25812	100.0
489.03778	1.1
539.27808	12.0
614.31250	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	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.01605	0.7
50.44069	0.6
51.44770	0.7
52.17561	0.6
53.03951	2.0
54.21287	0.6
55.01867	1.2
55.05270	1.1
55.05517	16.0
57.03446	4.8
57.07081	3.3
59.16464	0.6
65.03941	2.6
67.05510	48.6
69.03465	0.8
69.07071	15.6
71.04987	2.2
71.08611	0.7
79.05013	0.9
79.05495	25.4
81.07063	54.8
83.04987	1.2
83.08636	8.0
85.06544	1.8
87.76587	0.6
91.05491	20.7
93.07052	36.1
95.04972	2.1
95.08615	41.2
97.06532	2.6
97.10173	5.5
98.21544	1.3
99.08067	1.5
105.04551	0.9
105.07038	25.2
107.08601	21.0
107.09317	1.4
109.06506	1.3
109.10168	22.6
111.08102	1.9
113.09692	1.5
115.05457	0.9
117.07026	9.3
119.08594	22.2
121.10152	18.0
123.08104	0.7
123.11717	8.3
123.97818	0.6
125.09667	1.0
129.07033	3.9
131.08580	17.5
133.10146	20.3
135.11710	14.5
135.12727	0.8
137.09624	1.3
137.13263	3.3
139.11194	0.9
141.06927	0.6
142.07750	0.8
143.08588	6.0
145.10129	16.4
145.93768	0.6
147.11702	15.9
149.09717	0.6
149.13263	8.1
151.14789	1.5
155.08589	1.8
156.32552	0.7
157.10152	5.8
159.11707	12.4
161.09590	0.8
161.13280	9.6
163.14842	5.1
163.51620	0.7
165.16368	0.7
169.10123	1.6
171.11707	6.1
173.11832	0.8
173.13289	11.9
173.14714	1.0
175.14854	5.6
177.16409	2.2
183.11778	1.9
185.13298	4.2
187.14842	5.7
189.16437	2.9
191.18025	1.0
195.11684	1.0
197.13277	1.6
199.14897	4.3
201.16451	3.0
203.17973	1.4
211.14894	1.3
213.16429	2.2
215.17986	2.6
217.19514	1.8
223.14754	1.0
227.18048	1.1
229.19510	1.3
231.21204	1.7
233.12968	0.7
233.19028	1.1
241.19563	2.5
243.21175	1.7
245.19188	0.7
247.20547	1.0
257.19016	0.8
257.22760	1.0
259.20627	6.3
261.22159	10.9
263.23776	1.4
271.20682	1.1
287.23645	1.8
291.23193	0.8
295.22867	1.0
299.23886	1.3
301.25211	0.7
303.23584	0.7
313.25537	1.2
315.23184	1.1
315.26791	1.1
317.24829	1.9
323.25708	1.1
327.26990	1.2
329.28558	0.9
333.24210	5.5
335.25851	14.5
337.27386	8.2
341.28723	1.3
399.32687	0.7
437.33865	0.8
443.35364	0.8
477.35812	1.0
489.35779	1.5
499.38651	0.7
503.36905	1.3
503.43250	0.8
515.37128	1.0
521.43396	3.9
529.38977	1.0
531.40167	1.0
539.44415	2.6
543.40515	1.2
595.47192	11.7
613.48297	100.0
614.49188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69102	1.2
54.27132	1.3
56.96305	2.0
56.96564	29.5
60.44702	1.2
64.38587	1.1
65.85027	1.1
67.05489	2.3
69.80471	4.5
71.95254	3.8
81.07037	2.0
84.96021	4.3
91.05482	2.1
93.07046	2.6
95.04935	1.4
95.08614	2.4
96.37197	1.3
98.21460	2.5
98.97587	76.8
105.07024	3.4
107.08584	2.6
109.06551	1.5
109.10197	1.4
110.97562	6.2
112.99128	35.1
116.97831	1.9
116.98615	26.6
118.07379	1.2
119.08553	2.3
121.10168	2.5
124.99116	2.3
127.36158	1.2
128.98590	6.5
130.99211	2.0
131.00174	39.4
131.08568	1.3
133.10139	2.4
134.99626	8.3
140.00186	6.1
140.98567	2.7
143.00145	10.7
145.10149	1.7
146.99576	2.8
149.01225	27.2
152.98607	1.5
154.01740	5.6
155.00177	1.5
158.01222	2.0
158.99661	40.6
161.01230	8.4
167.02304	2.6
170.99625	4.3
172.02809	4.3
173.01245	6.5
175.02739	2.0
177.00713	35.7
182.99673	1.6
185.01228	4.3
189.00729	3.4
191.02228	7.9
195.01759	2.7
199.02785	8.5
200.02373	6.8
203.02280	7.0
205.04065	1.8
209.01192	3.9
215.02322	3.5
217.03790	6.4
219.01744	7.9
226.03755	1.9
227.02266	1.9
233.03291	2.1
237.02829	4.5
275.04364	17.1
277.15112	1.4
293.05441	46.8
311.06577	6.8
316.07040	10.3
317.17886	100.0
329.40659	1.2
334.08084	3.6
335.18918	31.2
345.45154	1.3
358.20551	13.2
377.20062	11.7
391.21405	2.4
403.21826	2.7
472.37561	1.3
497.24106	5.3
544.14819	1.4
553.26880	72.2
613.39832	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	613.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69168	0.6
51.25490	0.5
53.25712	0.5
55.01861	0.8
55.05502	0.9
56.55417	0.5
56.96560	1.2
57.03427	0.7
64.01402	0.6
67.05489	1.0
69.03432	1.0
69.07056	1.8
69.28522	3.0
69.28949	2.2
70.06597	0.7
70.43373	0.5
71.04974	0.6
72.08146	0.7
79.05489	1.7
81.03419	1.2
81.07053	2.2
83.04967	0.9
85.02922	2.9
86.09703	1.1
89.03947	0.7
91.05491	2.5
92.83583	0.6
93.07034	2.6
95.04967	0.9
95.08599	1.8
97.02917	0.8
97.06543	4.0
98.97617	0.7
105.07025	2.9
105.98403	0.6
107.08595	2.7
109.10146	0.9
111.04464	0.7
117.07033	1.0
119.08595	4.0
121.10166	0.8
123.11718	0.6
127.03896	1.2
131.08630	0.7
133.10126	2.2
135.04510	0.8
135.77780	0.6
136.84032	0.5
137.05995	1.0
145.02847	0.7
147.11731	0.9
163.03935	2.9
167.07059	2.0
173.02330	0.8
173.05974	0.7
175.14854	2.0
181.04912	1.4
184.07274	0.8
185.04277	1.5
189.09065	0.7
205.05029	0.6
207.10428	0.6
209.62622	0.6
215.05281	1.0
215.07130	1.0
216.17548	0.7
227.05312	0.8
233.05501	0.6
233.15184	2.2
245.06308	1.8
259.09686	3.0
271.04364	0.6
289.05322	7.1
305.14209	2.5
317.08310	1.5
335.09576	3.4
347.15295	1.9
359.09488	4.6
365.16440	1.6
377.10654	11.0
421.09189	6.9
437.21661	1.5
479.82574	0.8
509.23419	1.8
527.24792	4.6
551.24371	3.7
569.25616	16.2
595.23486	16.5
595.31372	0.9
613.24530	100.0
614.24817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2658
Annotation	Karajinone B
Peak:m/z	Relative Intensity
53.03939	0.8
56.96564	0.7
57.03425	0.6
57.74004	0.5
67.05501	1.4
69.07059	0.8
70.02705	2.0
70.03049	1.0
71.04993	0.9
72.72755	0.5
76.22342	0.6
79.05485	1.2
81.07049	2.0
83.04976	0.6
85.02911	1.6
91.05483	2.0
91.33188	0.5
92.39913	0.5
93.07062	1.5
95.08600	1.0
97.47118	0.6
105.07037	1.0
107.04988	0.7
107.08627	0.7
108.08199	0.7
109.10133	0.8
117.07018	0.7
119.08616	0.8
129.07025	0.7
131.07394	0.7
131.08589	0.7
133.10158	1.1
136.07588	2.7
138.09164	1.3
145.10141	0.9
145.51761	0.6
156.06892	0.6
158.08420	0.7
163.11232	0.6
169.08795	0.7
169.10133	0.6
174.09146	5.2
182.09721	0.9
183.09209	0.9
184.09918	1.0
186.09186	1.3
187.08643	1.0
187.12311	3.4
188.10776	2.4
197.07103	0.8
197.10811	1.2
198.09152	0.6
199.08691	1.1
201.10307	0.7
203.11946	0.7
211.08665	0.9
213.10277	1.1
215.11787	2.2
221.10814	0.9
223.12073	0.6
225.10414	2.8
227.11772	4.8
235.08629	0.7
237.10130	1.1
239.11862	2.2
241.13298	4.5
243.11307	15.5
243.13661	1.0
249.10304	2.1
251.11868	2.4
252.08965	0.8
253.09764	2.1
255.11360	0.8
265.09821	1.5
267.11301	7.5
269.12936	4.5
271.10791	1.6
277.09708	2.0
279.11414	0.9
287.14014	4.9
291.11273	0.9
293.12836	1.8
295.10794	4.2
297.12405	1.3
306.12567	0.9
309.12329	1.1
311.13831	2.1
313.12076	0.9
314.12906	1.7
315.13791	0.7
316.10950	1.2
316.14441	1.0
319.10590	1.3
320.13989	0.7
326.13165	0.8
327.13397	6.6
328.10925	1.3
328.14597	2.0
329.11673	0.9
330.12469	2.1
330.16083	0.8
332.14075	0.7
334.15585	0.8
336.13226	1.0
336.16922	0.9
341.15662	0.7
342.12384	2.7
342.16153	1.0
343.13242	2.4
344.13995	2.8
344.17670	1.0
345.14893	0.7
346.15494	1.1
348.13330	2.8
354.12350	0.9
354.16211	0.9
356.14032	2.4
357.14859	1.8
358.15417	2.9
359.16492	1.3
359.20862	0.6
370.15680	2.6
371.16541	1.1
372.13055	0.7
372.17285	3.6
373.17981	1.4
374.14755	0.9
374.18930	1.3
376.16690	1.1
384.17490	1.1
386.14993	1.6
386.19144	1.4
387.19775	0.8
398.14914	0.8
400.16730	2.1
407.18988	0.7
412.16724	1.5
413.17191	0.7
416.16287	1.1
417.16904	1.7
418.17679	3.0
419.18860	1.2
420.17068	0.8
421.16669	0.7
430.17844	1.1
431.18518	0.8
432.19162	1.3
433.20541	0.6
435.18555	0.8
437.19785	1.1
446.16913	1.5
447.17761	1.3
448.20615	1.0
449.15561	0.8
450.16266	0.9
450.21829	1.2
451.16882	0.8
458.17560	0.8
460.18872	0.9
462.24551	0.9
463.21597	1.2
464.18451	0.9
465.18369	5.3
474.20770	0.8
476.20560	1.3
477.19449	2.0
478.19556	2.9
479.20682	3.8
480.21600	3.1
481.22226	2.3
489.22986	1.7
490.19354	4.3
491.20703	1.1
492.21762	2.2
493.22668	3.5
494.23260	1.5
507.24142	3.7
508.21616	1.6
509.25546	1.2
517.22559	2.2
520.21002	0.8
521.21570	0.9
535.23413	12.6
537.25171	0.9
539.22943	1.4
553.24475	57.5
554.25281	1.4
563.22772	2.3
567.25952	0.7
581.23981	38.9
595.25330	1.9
613.26581	100.0
614.26941	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	613.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.96557	1.4
57.03439	0.6
57.07399	0.5
61.02924	0.7
67.05492	1.9
69.03403	0.7
69.07064	2.8
70.06589	1.2
71.04982	0.7
71.54486	0.8
72.08149	1.0
79.05500	2.3
81.03422	1.3
81.07044	2.7
83.04988	0.6
83.08643	0.8
85.02897	2.0
86.09714	0.7
91.05483	2.5
93.07047	2.2
95.08602	1.8
97.02871	0.6
97.06541	3.3
97.10187	0.6
98.97543	0.9
99.04453	0.7
105.07032	2.1
107.08578	2.0
109.10152	1.1
111.04444	0.6
117.07043	0.7
119.08571	4.0
121.10155	1.1
123.04444	0.7
127.03868	1.3
133.10149	2.1
137.05891	0.7
137.09689	0.7
139.03639	0.8
145.06534	0.8
145.10146	1.2
147.11708	1.0
149.09581	0.6
163.03911	2.9
167.07065	1.8
175.14850	1.8
177.05530	0.6
181.04970	1.2
184.07341	1.2
185.04234	1.6
215.05338	1.1
215.14293	0.7
227.05261	1.5
233.15117	2.7
237.13490	1.2
243.05011	0.8
245.06445	1.8
245.15256	0.8
259.09790	2.1
287.13354	0.9
289.05270	7.2
303.63577	0.6
305.14267	1.7
317.08450	2.0
335.09567	1.9
347.15320	1.7
359.09500	4.7
377.10583	8.2
377.18796	0.7
415.16058	0.8
421.09344	9.6
421.13953	0.6
423.99417	0.6
431.14404	0.6
437.21582	1.7
509.23499	1.6
527.24670	5.8
551.24799	4.4
569.25684	18.1
595.23602	17.9
595.31378	0.9
613.24518	100.0
614.25134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71669	0.4
55.05464	0.9
57.07058	0.6
61.93338	0.6
62.21856	0.5
67.05505	3.1
69.07022	1.4
69.48891	3.3
70.02306	0.4
73.54740	0.5
79.05441	1.3
80.43488	0.4
81.07000	1.6
82.10227	0.5
88.96378	0.5
91.05483	2.4
93.06991	1.0
95.08605	5.2
104.52898	0.5
105.07044	3.5
107.08546	1.9
109.10156	4.5
119.08597	12.2
121.10098	0.9
132.67226	0.5
133.10135	16.3
135.11703	2.3
137.09619	1.2
142.45575	0.5
143.01888	1.0
145.10114	0.8
147.11713	4.3
149.02092	0.9
149.13251	0.6
155.03111	0.9
160.12473	0.8
161.02831	0.5
175.14842	9.1
185.02783	0.9
185.04182	2.8
203.03961	1.0
209.51012	0.4
215.05383	1.1
227.05342	0.7
243.04837	0.6
245.06357	2.2
253.03290	0.6
271.04169	0.6
275.06097	0.6
289.05234	1.7
299.07190	1.1
301.04309	0.8
317.08432	1.2
335.09479	4.3
341.08267	0.7
343.05191	1.2
359.09531	7.6
361.06372	0.8
364.17725	0.5
375.08939	1.4
377.10538	16.1
385.07227	1.0
403.08527	2.1
419.07983	3.1
421.09540	100.0
422.09525	0.6
569.25708	6.9
595.23041	0.5
613.24689	82.5
614.24792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
56.96566	0.7
58.99865	1.6
67.05505	3.9
69.07067	2.4
70.59470	2.4
77.00912	8.5
79.05489	5.0
81.07050	3.3
83.08575	0.7
91.05490	2.6
93.07070	4.0
95.01930	5.6
95.04968	1.4
95.08605	2.9
97.10143	0.8
100.02499	0.7
105.07057	2.3
107.08600	3.4
109.10146	1.5
111.04456	0.8
113.00067	0.8
113.00863	0.9
117.07028	2.0
117.16924	0.7
119.08573	4.0
121.10134	1.9
129.06995	0.9
131.01909	7.5
131.08563	1.7
133.10121	2.3
135.11688	1.5
143.08565	1.3
145.10149	3.2
147.04437	1.2
147.11699	2.1
149.02975	2.1
149.13297	1.0
153.87892	0.8
157.10115	1.3
159.05070	0.7
159.11726	1.0
161.13264	0.8
167.05585	0.7
171.11702	1.1
173.06630	1.4
173.13390	0.8
181.07170	0.9
183.11700	0.8
187.08228	0.9
191.07686	1.1
193.10742	1.0
195.08806	0.8
197.10231	1.9
199.08107	1.0
201.09654	2.1
201.11389	0.9
205.09114	0.9
209.10269	0.9
211.11714	1.1
215.11234	5.2
225.13101	0.9
227.11235	1.0
229.12917	2.9
231.12354	1.4
237.13216	0.8
241.12891	0.9
243.12289	0.8
243.14322	1.4
247.11877	3.5
247.13995	0.9
261.13385	2.4
261.16934	0.7
265.12936	0.8
267.14301	0.9
275.14932	1.2
287.14960	1.1
289.16531	1.3
297.17010	5.7
299.18567	79.4
301.20099	3.3
303.04977	1.6
303.18073	0.9
313.16483	2.7
315.18115	19.0
315.21912	0.9
316.17029	0.8
317.19638	100.0
318.20038	1.6
319.21249	3.4
329.19592	1.3
333.17154	0.9
334.17648	1.6
335.16876	1.3
335.20694	20.6
338.19547	4.2
340.21228	25.4
341.21564	1.1
342.22916	1.2
353.22223	0.8
357.22769	1.2
358.22260	1.8
369.22684	1.2
371.24188	0.9
379.24683	0.9
381.23001	1.0
393.38199	0.8
395.24362	1.1
409.25833	1.4
423.27719	1.0
425.28647	0.8
467.29651	0.9
505.31470	1.5
540.33655	0.8
575.39496	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	611.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01865	10.0
55.05515	12.8
56.55140	2.0
56.96566	3.5
57.03432	6.1
57.07086	14.6
61.02918	5.5
62.70872	1.9
66.92007	2.2
67.05511	40.0
69.03435	22.7
69.07072	49.7
70.06588	3.7
70.47115	6.3
71.01403	2.0
71.04996	10.5
71.08632	2.7
73.02931	4.2
79.05506	20.2
81.03412	12.3
81.07063	100.0
83.04972	3.1
83.08628	17.6
85.02916	47.3
85.06548	83.0
87.00833	19.5
89.79507	2.2
91.05486	9.7
93.07045	39.1
95.04993	3.7
95.08611	74.4
97.02894	18.4
97.06520	16.8
97.10175	7.4
99.04468	7.8
99.08124	21.1
105.01881	17.8
105.07009	10.7
107.08601	42.6
109.02892	17.6
109.06522	3.1
109.10165	54.6
111.08092	9.3
111.11719	8.5
113.09624	3.9
117.01842	2.8
119.08607	11.5
120.08115	2.6
121.06548	2.5
121.10149	28.7
123.08076	2.6
123.11719	37.9
125.09641	13.3
127.03931	27.8
127.11205	3.2
131.08598	3.5
133.10153	8.4
135.11705	22.2
137.13257	19.2
139.11197	9.4
141.12720	3.3
144.78398	2.1
145.04950	11.3
147.11667	10.1
149.13272	44.5
151.14847	3.0
153.12747	9.6
155.14207	2.6
159.02890	9.4
159.11778	4.6
161.13245	7.4
163.03932	3.6
163.14839	19.2
165.12791	2.7
167.14345	5.1
171.13824	4.6
173.02414	2.9
177.16402	13.6
181.15887	3.5
184.07356	2.8
189.16414	3.7
191.17938	6.2
195.17482	5.3
203.18048	3.4
209.19005	3.5
213.18530	16.5
217.19507	4.4
223.20706	3.1
227.20158	2.9
231.04962	5.9
239.86600	2.1
249.05592	2.8
273.25726	8.3
279.26895	18.7
287.05496	2.9
291.26849	47.0
295.05734	2.3
297.27908	21.0
303.05002	20.5
309.27911	71.3
327.28952	43.1
338.25015	2.1
345.29947	7.2
352.19815	2.2
391.11575	5.6
419.11136	20.4
539.32092	3.7
588.70209	2.2
611.30432	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	611.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.19412	0.6
56.96554	0.7
57.47470	0.6
67.05502	2.1
69.03441	1.5
69.07079	2.8
70.06590	0.7
70.93638	0.8
71.04999	1.5
79.05487	2.2
81.03419	1.3
81.07060	6.0
83.04958	0.6
83.08619	0.9
85.02904	2.1
91.05477	1.6
93.07066	2.7
95.01026	0.7
95.04958	0.8
95.08614	3.3
97.02903	1.0
97.06542	3.8
98.97596	1.1
99.08137	0.6
105.07029	3.6
107.08589	1.7
109.10166	2.5
119.08570	1.8
121.10152	2.0
123.11731	1.5
125.09608	0.8
131.08611	0.6
131.25952	0.6
133.10104	1.0
135.11682	1.3
137.13295	0.7
141.05179	0.6
145.10213	0.8
147.11746	1.0
149.13319	0.7
158.81677	0.6
163.03903	2.0
173.02310	1.0
175.14861	1.6
176.15192	1.0
177.16431	0.8
185.04263	0.7
203.05301	1.0
215.07072	1.4
227.05287	0.8
237.02948	0.7
243.04745	1.2
245.06305	7.2
259.09695	0.8
265.05063	0.6
287.03726	1.2
289.05341	11.0
289.08356	1.0
303.05081	4.6
309.27945	0.9
323.05502	1.0
327.22986	3.4
339.17780	0.8
345.23914	7.0
347.25662	1.3
363.25137	2.0
363.84515	0.7
365.10672	0.7
374.17410	0.6
381.18723	1.1
391.11972	1.9
419.11401	2.1
425.17603	1.2
437.12213	0.6
489.27386	0.7
489.58679	0.6
507.29239	5.8
525.20184	0.5
525.30634	2.2
531.29297	0.9
546.36383	0.6
549.30383	14.2
567.31488	12.6
575.28918	1.8
593.29352	53.9
594.30145	1.3
611.30457	100.0
612.30292	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01860	3.4
55.05507	15.2
55.65948	2.0
57.03420	4.5
57.07066	8.2
59.05002	3.9
59.08152	1.9
67.05505	18.0
69.03423	13.8
69.06740	3.8
69.07076	48.6
69.21988	14.3
69.22414	6.0
70.68668	1.8
71.04986	4.4
71.08611	2.4
79.05490	9.1
79.69673	2.3
81.03399	9.2
81.07060	100.0
83.08621	20.4
85.02908	29.4
85.06553	9.7
87.00827	12.2
89.06059	2.7
91.05492	4.6
93.07043	25.9
94.78754	2.0
95.04947	3.8
95.08614	80.5
96.08849	2.2
96.15871	1.9
97.02930	10.4
97.06532	8.5
97.10160	8.5
99.04437	5.2
99.08111	6.5
105.01878	8.4
105.07026	8.2
107.08611	23.8
109.02906	10.3
109.10158	34.0
111.08082	14.9
111.11744	13.2
113.09662	2.2
115.07527	2.4
117.28378	2.5
119.08600	6.7
121.10131	14.4
123.11710	37.1
125.13287	3.6
127.03922	16.7
127.11214	6.7
133.10101	6.3
135.11681	13.5
137.13264	32.1
145.05002	2.8
147.11662	5.2
149.13275	28.9
151.14789	4.0
153.12741	22.9
155.14299	5.5
159.02841	3.5
161.13226	2.3
161.42436	2.1
163.14816	8.8
167.14308	7.8
171.13776	6.3
173.15369	8.2
213.03987	3.5
215.07137	2.5
223.20306	2.1
231.04956	2.3
239.20277	3.0
239.23730	2.6
258.05936	2.1
259.09747	2.3
273.25671	5.3
279.26712	10.2
282.07471	2.0
287.03543	2.8
289.05392	6.2
291.26819	29.8
297.27902	7.0
309.27896	51.5
315.28925	4.0
323.05432	2.1
327.29050	13.0
345.23950	7.6
345.29977	14.4
347.25400	4.6
417.30270	2.6
419.11279	4.0
513.33832	3.9
521.31372	2.8
539.32697	2.7
567.31274	4.6
593.29181	6.8
611.30475	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	611.1607
Annotation	3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside
Peak:m/z	Relative Intensity
53.03947	0.3
54.31889	0.3
55.86919	0.3
57.03437	2.8
57.59330	0.3
61.02906	0.4
68.99783	0.5
69.03442	0.6
70.06581	1.0
71.01320	0.3
71.04991	22.5
73.02895	0.4
75.04469	0.8
81.03410	0.5
83.04976	0.8
84.04501	0.3
84.84166	0.3
85.02905	23.9
87.04446	0.7
93.03378	0.4
94.74116	0.3
96.19434	0.3
97.02898	0.4
106.97508	0.3
109.02883	0.3
111.00797	0.8
111.04453	0.4
121.02851	1.1
123.04399	0.4
127.03889	0.7
129.05482	5.1
137.02328	2.6
147.06477	0.8
149.02328	0.3
153.01825	3.2
163.03947	0.4
165.01793	2.0
183.02892	0.5
201.05452	1.3
213.05415	0.3
217.63327	0.3
229.04948	3.7
240.72116	0.3
247.06114	0.7
257.04428	2.5
274.04788	0.5
285.03952	1.2
287.02240	0.7
287.05499	18.9
303.04987	100.0
304.05261	0.8
345.06030	0.5
449.10696	1.9
465.10318	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	611.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72740	0.4
58.55687	0.5
70.70135	1.2
81.07050	0.8
81.67531	0.5
83.08629	0.6
85.02898	0.7
89.85757	0.5
96.46950	0.4
101.00874	0.5
107.08597	0.4
121.10179	0.6
133.10107	0.9
135.08098	0.5
137.09589	1.1
149.13254	0.5
155.03229	0.9
191.14351	0.8
227.05327	0.7
227.43289	0.5
231.13596	1.8
250.25623	0.4
252.33884	0.5
253.03223	0.5
273.13293	0.5
274.84283	0.5
291.14349	3.1
299.07477	1.1
303.05005	0.7
303.14539	0.6
309.15823	1.0
317.08472	1.7
333.15472	1.0
341.08734	0.8
359.09509	2.7
375.17813	0.8
377.10538	1.5
385.07394	0.9
393.13120	0.6
393.17551	2.8
403.08408	3.9
405.18951	1.2
411.18805	0.6
421.09607	1.8
435.19089	2.3
507.22260	1.1
525.22931	8.5
539.37891	0.6
549.23083	1.3
567.24109	29.5
611.23083	100.0
612.23315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
51.04153	0.2
57.03437	1.3
61.02930	1.6
68.99786	0.4
69.03436	0.4
69.46450	0.9
69.46874	0.7
71.04996	9.1
73.02906	0.4
75.04475	0.4
77.25555	0.2
81.03419	0.3
83.05001	0.5
85.02907	11.7
91.03947	1.1
91.75401	0.2
97.02889	0.9
98.20718	0.4
103.91766	0.2
109.02877	0.2
111.00819	0.8
111.04405	0.3
121.02857	0.8
127.03950	0.4
129.05482	3.6
131.77872	0.2
137.02354	2.0
145.04929	0.4
147.06543	1.3
149.02409	0.3
153.01830	2.6
155.54932	0.2
163.03966	0.4
165.01851	1.2
166.02678	0.3
170.31570	0.2
172.21555	0.2
173.05960	0.2
183.02914	0.5
195.02898	0.3
201.05473	0.9
229.04990	3.4
247.06081	0.5
257.04401	2.2
274.04648	0.5
285.03922	0.8
303.04993	100.0
304.05347	0.5
368.04785	0.3
369.06375	0.2
447.09091	0.2
465.10196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.01855	0.1
57.03421	0.3
61.02930	4.2
65.03915	0.1
67.05518	0.1
68.20773	0.1
68.99812	0.3
69.03430	0.9
69.68143	0.4
69.68552	0.2
70.06592	0.2
71.04986	0.2
73.02919	1.1
74.30967	0.1
79.05489	0.2
81.03416	0.5
84.04490	0.4
85.02907	3.9
86.09689	0.1
91.03417	0.2
91.03957	2.5
91.05507	0.1
95.05013	0.2
97.02316	0.1
97.02905	2.1
97.06553	0.1
99.04473	0.3
105.03355	0.2
107.04953	0.2
109.02923	0.3
111.00804	0.5
111.04523	0.1
111.10771	0.1
121.02870	2.1
121.42352	0.1
127.03927	0.6
130.04988	0.4
130.05943	0.1
133.02840	0.5
137.02353	0.5
145.04977	0.5
147.04448	0.5
147.07675	0.5
153.01833	2.6
157.06459	0.3
165.01857	1.5
171.04434	0.2
175.11234	0.1
183.02921	0.6
185.05995	0.3
188.09177	0.2
189.32108	0.1
191.14291	0.2
193.12250	0.2
199.04025	0.1
213.05531	0.9
231.06554	0.4
241.04984	0.8
258.05261	0.9
259.06009	0.4
267.16037	0.2
269.04495	0.2
285.16940	0.2
286.04538	0.1
287.05508	100.0
288.05887	0.7
303.04926	0.4
311.99945	0.1
329.06491	0.1
353.06598	0.1
449.10822	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	610.351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10270	0.4
50.68558	0.2
55.01889	0.3
55.05506	0.3
57.03461	0.3
67.05519	1.5
69.07061	0.5
69.63777	1.6
69.65903	0.3
72.16811	0.3
79.05491	0.9
81.07087	1.3
81.07507	0.4
83.04952	0.3
91.05452	0.6
93.07027	0.7
95.08610	0.8
98.20817	0.6
98.98465	4.1
105.07027	0.3
107.08617	0.5
109.10113	0.3
117.07046	0.6
118.06564	0.9
119.07368	1.1
119.08601	0.4
121.10200	0.4
125.00012	12.7
129.07254	0.2
130.06601	0.3
132.84941	0.3
134.09662	13.4
138.80721	0.2
144.08081	5.2
145.08897	3.4
145.10045	0.4
160.11229	88.2
161.11615	0.5
178.12292	6.1
178.13742	0.5
194.02238	0.3
258.08923	100.0
259.09219	0.7
355.07153	0.4
362.47043	0.3
574.32892	0.9
592.34137	7.9
639.30072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01880	0.1
55.05511	0.3
55.91916	0.1
57.03442	1.6
59.04998	0.1
60.41219	0.1
61.02929	1.7
65.03920	0.1
68.99804	0.4
69.03435	0.4
70.06590	0.3
71.01347	0.1
71.04997	11.2
71.53751	0.2
72.08144	0.3
72.41747	0.1
73.02933	0.7
75.04470	0.6
75.16770	0.1
81.03426	0.4
83.04989	0.7
84.04514	0.1
85.02910	13.6
86.09703	0.2
87.04464	0.3
91.03951	1.0
91.05467	0.1
93.03419	0.3
95.04996	0.3
96.45275	0.1
97.02895	1.0
98.97598	0.1
99.04467	0.2
100.14569	0.1
103.03905	0.1
109.02890	0.4
110.16878	0.1
111.00800	0.9
111.04449	0.4
115.03958	0.1
120.08128	0.3
121.02879	0.8
123.04469	0.3
127.03950	0.6
129.05487	3.4
135.04399	0.2
137.02351	2.7
137.03438	0.2
137.05948	0.1
145.02911	0.2
145.04990	0.4
145.06479	0.1
147.06522	1.0
149.02361	0.4
153.01840	3.2
155.04903	0.2
161.06052	0.2
163.03896	0.6
163.06006	0.1
165.01846	1.8
166.02650	0.3
173.05966	0.3
183.02983	0.5
183.04356	0.1
187.03972	0.2
191.03418	0.2
195.02939	0.3
201.05495	1.3
205.05083	0.1
207.02933	0.1
215.03429	0.1
219.06558	0.3
228.04181	0.2
229.04976	3.3
243.02361	0.1
245.04700	0.1
247.06100	0.6
255.08644	0.1
257.04465	2.2
273.09805	0.1
274.04822	0.6
275.05435	0.2
285.03903	1.0
287.05511	0.4
302.04065	0.2
303.04999	100.0
304.05365	1.0
315.04971	0.6
327.05109	0.2
341.06784	0.1
345.06055	0.7
355.07990	0.1
369.06229	0.5
377.01700	0.1
399.07306	0.1
411.07175	0.1
425.20538	0.1
429.07651	0.2
447.09283	0.2
449.10641	0.4
465.10400	1.5
527.36304	0.1
611.23853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
54.73757	1.1
54.93720	1.2
55.01870	1.2
55.05270	1.2
55.05511	13.5
57.03442	3.6
57.07073	1.5
59.94775	1.0
65.03943	1.0
67.05511	19.2
69.03435	2.6
69.07068	11.3
70.29003	0.9
71.04981	1.1
71.55360	1.3
76.99458	1.0
79.05489	13.4
81.03420	3.5
81.07058	20.0
81.49325	1.1
83.04985	9.9
83.08626	7.3
85.02905	3.5
85.97157	1.0
91.05469	9.6
93.07053	12.9
94.99538	1.0
95.04972	1.7
95.08618	16.4
97.06530	1.2
97.10175	4.3
101.06025	5.4
105.07034	11.4
107.08595	8.2
109.10164	8.6
110.45122	0.9
111.04469	8.1
111.08083	1.3
117.07025	7.4
119.08567	10.4
121.10154	4.9
123.08118	1.4
123.11744	1.4
125.09660	1.2
127.03922	2.0
128.06223	1.7
129.05510	2.5
129.07010	8.2
131.08577	12.1
133.10127	9.7
135.11717	3.9
141.06984	5.1
142.07803	2.9
143.08566	11.1
145.10129	10.9
147.11650	5.3
149.13312	2.6
151.11200	1.0
153.07108	1.5
154.07774	1.1
155.08565	10.6
156.09407	2.1
157.10144	13.5
159.11711	9.7
161.13289	3.9
165.07100	1.1
167.08620	4.6
168.09340	1.0
169.10136	13.5
171.11713	9.9
173.13332	4.7
177.12648	1.1
179.08629	2.0
181.10101	6.4
183.11682	11.9
185.13295	6.7
185.14676	1.0
187.14815	4.2
189.16560	1.4
193.10155	2.2
195.11653	10.1
196.12514	1.2
197.13312	9.5
198.71715	1.0
199.14853	5.5
200.92435	1.0
201.16353	2.0
207.11761	3.6
209.13297	7.9
211.14880	6.3
213.16446	4.1
213.75291	1.1
215.17908	1.1
221.13281	2.8
223.14879	5.4
225.16425	4.7
227.17976	1.9
229.10651	1.4
235.14952	1.1
237.16393	3.7
239.18082	1.9
247.11888	1.6
247.14813	1.1
249.16341	1.2
251.18011	2.7
253.19600	2.0
265.19498	1.2
267.21085	1.5
321.22232	1.2
323.23447	1.6
339.23279	1.5
351.26938	2.6
363.26941	1.5
517.40350	10.5
525.35767	1.7
535.41663	6.4
555.41595	1.1
573.42816	2.2
591.44043	15.2
609.45129	100.0
610.45392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03940	2.4
54.95629	0.6
55.01868	2.0
55.05514	20.3
57.03430	7.1
57.07080	1.5
59.04990	1.1
65.03928	1.0
65.73948	0.6
67.05507	21.2
69.03430	5.2
69.07072	10.1
69.30800	5.8
71.04987	2.5
73.06557	3.3
79.05068	1.1
79.05494	13.3
79.78803	0.7
81.03415	2.5
81.07060	19.4
83.04979	27.1
83.08621	5.5
85.02912	10.2
85.06536	1.7
91.05479	13.8
93.07041	14.5
95.05002	1.6
95.08611	16.1
97.02902	6.8
97.06525	2.3
97.10172	3.2
99.04469	1.6
99.08120	0.8
101.06023	14.2
105.07030	12.3
107.08596	9.9
109.02871	2.5
109.06525	1.2
109.10159	8.1
111.04445	34.7
111.08103	1.5
115.05437	1.5
117.07026	7.4
117.82239	0.6
119.07098	2.0
119.08592	12.4
121.10139	6.9
123.08071	0.9
123.11721	2.7
125.09635	1.3
126.79816	0.7
127.03900	7.2
128.06242	3.2
129.05502	5.4
129.07001	9.3
131.08572	11.4
133.10144	8.6
135.11703	4.9
141.07018	4.6
142.07793	2.4
143.08565	11.3
145.04996	2.7
145.10132	10.8
147.11678	4.6
149.13333	2.0
153.07002	1.3
154.07872	0.7
155.08537	10.7
156.09419	1.3
157.10132	15.1
159.11682	8.9
161.13239	3.4
165.06987	1.4
165.65988	0.7
167.07181	1.2
167.08600	5.2
168.09357	2.6
169.10136	13.2
170.10918	1.2
171.11705	12.0
172.12546	0.8
173.13271	5.3
175.14854	2.1
179.08615	2.3
181.10109	7.8
182.10970	0.9
183.11705	11.8
185.08105	2.4
185.13245	7.8
187.14844	3.2
189.16428	1.4
193.10185	2.8
195.11710	7.5
197.13255	9.8
199.14847	5.3
201.16399	0.8
203.09050	1.2
205.10205	1.2
207.11755	2.3
209.13264	5.9
210.14249	0.8
211.09703	5.1
211.14833	6.5
213.16451	4.1
215.17944	0.9
219.11783	0.9
221.13303	2.9
223.14888	4.8
225.16330	4.6
227.09251	1.6
227.18060	2.5
229.10753	3.3
229.19485	1.0
235.14906	2.1
237.16344	4.0
239.17990	2.2
241.19601	1.4
245.10204	1.5
247.11780	1.6
247.14926	1.3
249.16457	1.7
251.18060	1.8
253.19632	1.2
257.19107	1.1
263.11197	1.2
263.18088	1.1
265.19641	1.5
267.21024	1.0
279.21198	1.4
281.18936	0.9
281.22623	1.0
285.13394	0.9
285.21994	0.9
299.20120	0.9
303.14484	2.2
309.22098	0.9
323.23706	0.9
327.23679	0.9
329.16156	2.3
333.25394	0.9
335.23651	1.4
337.25507	1.1
347.17148	2.4
347.23700	1.1
351.26849	2.3
363.26675	1.0
365.28360	1.7
369.30969	0.9
379.30173	1.1
393.31631	1.2
403.30072	0.8
421.30966	1.2
429.31158	1.4
447.32571	1.2
499.39441	1.4
501.35867	0.8
517.40436	12.3
535.41492	6.3
539.37659	1.4
541.38574	1.0
573.43262	1.8
591.44080	14.8
609.45154	100.0
610.45587	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01862	4.9
55.05512	22.3
56.96567	4.3
57.03429	5.8
57.07071	12.2
59.04993	4.8
61.02908	3.2
67.05507	22.8
69.03432	24.1
69.07073	69.3
70.06627	2.8
71.04992	5.5
71.53685	2.6
72.08134	4.2
73.02908	3.0
73.08529	2.5
78.53497	2.8
79.05502	15.6
81.03400	15.9
81.07062	100.0
82.07372	2.7
83.04971	11.9
83.08630	17.8
85.02911	35.5
85.06552	18.2
86.09710	5.1
87.00826	10.9
87.04466	3.8
91.05482	14.1
93.07054	33.5
95.04956	9.4
95.08616	57.9
97.02892	15.6
97.06553	13.3
97.10175	2.8
98.97608	3.7
99.04443	4.4
99.08106	12.2
101.06032	4.2
105.01865	7.9
105.07037	24.2
106.07362	3.6
107.08595	30.8
108.08946	3.4
109.02879	9.3
109.06516	7.5
109.10154	41.3
111.04452	4.1
111.08075	19.9
111.11732	18.6
113.06016	2.5
117.07005	2.9
119.08572	19.8
120.08920	4.3
121.06510	4.4
121.10146	27.1
123.08100	4.3
123.11717	86.8
125.09595	6.1
127.03931	12.5
127.11203	25.9
131.08568	7.8
133.10152	15.6
134.10541	2.4
135.04390	3.6
135.11685	25.5
137.13275	17.2
139.11118	4.4
145.04955	4.6
145.10132	7.9
147.11740	15.6
148.12117	3.1
149.09587	4.2
149.13290	12.9
150.13570	2.8
151.11147	3.5
153.12758	32.8
159.11685	6.4
161.13223	4.2
161.15613	2.4
163.03932	7.6
163.11206	5.4
165.12753	10.2
171.13800	8.8
173.13208	2.8
175.14828	33.2
176.15164	24.1
177.05507	3.8
177.16391	27.8
178.16737	20.5
193.15857	5.0
205.03032	3.5
209.19023	2.9
219.17517	2.6
225.14507	2.4
231.05087	5.4
237.18529	15.0
244.49861	2.3
255.19604	8.6
257.12726	4.6
259.09592	3.2
261.12601	2.5
267.09009	5.3
272.14932	2.8
277.25296	13.3
289.05307	6.1
289.25195	13.3
295.26431	25.8
307.26318	65.9
313.27298	6.7
325.27396	37.5
343.22403	6.9
343.28528	22.8
361.23618	6.1
532.20251	2.4
537.30688	3.3
591.27472	10.1
609.28778	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	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70527	1.3
53.03938	2.3
54.35392	1.3
55.01854	3.0
55.05513	13.7
56.90349	1.3
57.03440	2.2
57.07073	7.2
61.02905	2.0
62.59249	1.2
67.05510	14.6
69.03435	11.6
69.07073	100.0
69.29816	3.2
69.30211	10.1
70.06591	2.4
71.04995	3.2
73.02899	2.3
73.06569	1.5
73.37304	1.3
77.26329	1.2
79.05505	8.1
81.03435	8.1
81.07061	47.3
83.05002	6.5
83.08627	7.7
84.08141	1.5
85.02911	14.8
85.06544	6.9
86.09709	1.9
87.00839	6.1
91.05471	6.3
93.07053	15.0
94.56725	1.3
95.04967	3.2
95.08615	38.3
96.08868	1.4
97.02921	8.5
97.06528	7.5
97.10191	4.2
98.20776	2.3
98.97554	1.9
99.04456	3.1
99.08090	4.7
101.06030	1.8
105.01871	4.4
105.07029	7.5
105.14971	1.2
107.08611	10.7
109.02876	8.4
109.06528	4.6
109.10170	20.4
111.08085	4.6
111.11725	31.4
119.08599	7.8
121.10169	12.5
123.08073	1.7
123.11720	28.1
127.03937	9.5
127.11201	4.9
131.08545	3.9
133.10141	5.7
135.08061	1.6
135.11729	7.5
137.09647	3.2
137.13237	3.8
139.11197	27.9
145.05006	2.8
145.10164	3.2
147.11697	5.1
149.13292	6.6
151.11171	2.0
151.14781	7.8
153.12738	5.8
157.12218	9.3
159.11699	4.3
161.13269	3.4
163.03906	2.8
163.14757	2.3
165.12761	5.5
167.14363	1.5
175.14816	4.1
176.15175	3.5
177.12816	1.6
179.14276	2.6
189.16333	1.7
193.15950	1.4
205.78174	1.5
215.02052	1.3
224.55664	1.5
237.18610	3.0
244.44165	1.5
259.09637	2.2
263.23767	2.0
279.29056	1.4
281.24591	1.4
289.05176	3.9
289.25256	7.5
295.26309	15.7
307.26343	43.2
311.10178	1.6
325.27408	51.5
343.22437	5.3
343.28397	4.5
565.29645	2.8
591.27386	5.9
609.29547	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70527	1.3
53.03938	2.3
54.35392	1.3
55.01854	3.0
55.05513	13.7
56.90349	1.3
57.03440	2.2
57.07073	7.2
61.02905	2.0
62.59249	1.2
67.05510	14.6
69.03435	11.6
69.07073	100.0
69.29816	3.2
69.30211	10.1
70.06591	2.4
71.04995	3.2
73.02899	2.3
73.06569	1.5
73.37304	1.3
77.26329	1.2
79.05505	8.1
81.03435	8.1
81.07061	47.3
83.05002	6.5
83.08627	7.7
84.08141	1.5
85.02911	14.8
85.06544	6.9
86.09709	1.9
87.00839	6.1
91.05471	6.3
93.07053	15.0
94.56725	1.3
95.04967	3.2
95.08615	38.3
96.08868	1.4
97.02921	8.5
97.06528	7.5
97.10191	4.2
98.20776	2.3
98.97554	1.9
99.04456	3.1
99.08090	4.7
101.06030	1.8
105.01871	4.4
105.07029	7.5
105.14971	1.2
107.08611	10.7
109.02876	8.4
109.06528	4.6
109.10170	20.4
111.08085	4.6
111.11725	31.4
119.08599	7.8
121.10169	12.5
123.08073	1.7
123.11720	28.1
127.03937	9.5
127.11201	4.9
131.08545	3.9
133.10141	5.7
135.08061	1.6
135.11729	7.5
137.09647	3.2
137.13237	3.8
139.11197	27.9
145.05006	2.8
145.10164	3.2
147.11697	5.1
149.13292	6.6
151.11171	2.0
151.14781	7.8
153.12738	5.8
157.12218	9.3
159.11699	4.3
161.13269	3.4
163.03906	2.8
163.14757	2.3
165.12761	5.5
167.14363	1.5
175.14816	4.1
176.15175	3.5
177.12816	1.6
179.14276	2.6
189.16333	1.7
193.15950	1.4
205.78174	1.5
215.02052	1.3
224.55664	1.5
237.18610	3.0
244.44165	1.5
259.09637	2.2
263.23767	2.0
279.29056	1.4
281.24591	1.4
289.05176	3.9
289.25256	7.5
295.26309	15.7
307.26343	43.2
311.10178	1.6
325.27408	51.5
343.22437	5.3
343.28397	4.5
565.29645	2.8
591.27386	5.9
609.29547	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01870	2.4
55.05281	2.7
55.05518	34.0
57.03446	12.3
59.04985	2.4
64.56808	1.9
67.05505	3.7
69.03443	14.6
69.07063	2.6
69.21014	2.1
69.21324	19.0
73.02937	2.3
73.06568	8.5
79.05461	2.4
81.03416	11.8
81.07038	3.3
83.04989	88.5
83.73212	1.9
85.02441	2.6
85.02912	34.1
91.05510	2.4
93.07066	2.5
97.02904	20.5
98.21540	3.9
99.04474	1.9
101.05389	3.2
101.06028	44.2
103.20272	1.9
105.07033	3.0
109.02889	5.5
109.10168	2.2
111.04451	100.0
119.07053	9.3
119.08575	2.6
121.10140	2.1
127.03930	18.0
129.05513	15.0
130.85522	2.0
131.08554	2.1
145.04961	9.9
145.10109	2.4
146.73991	1.7
155.08488	1.8
159.11775	2.0
167.07043	4.6
185.08072	7.5
185.13205	1.8
201.11427	2.3
203.09203	2.4
211.09662	20.5
227.09137	3.3
229.10727	14.0
245.10184	8.2
246.80254	2.3
247.11844	4.5
250.44856	2.0
263.11368	2.2
285.13409	4.0
303.14374	7.6
329.15817	9.0
329.86185	1.8
347.17081	6.1
531.23529	1.9
609.27710	3.2
609.44635	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	609.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.05274	2.3
55.05515	30.9
57.03444	11.5
58.74434	1.4
59.04991	4.0
61.62422	1.5
67.05525	3.0
69.03434	20.8
69.69839	5.0
69.70249	2.2
71.04998	2.4
73.06559	12.0
79.05499	3.2
81.03428	11.4
81.07057	3.5
83.04989	84.1
85.02911	33.4
87.04433	1.8
90.40115	1.6
91.05478	2.3
93.07061	1.7
95.05001	2.5
95.08625	2.1
97.02899	18.7
98.21499	2.2
99.04446	2.3
101.06026	46.5
105.07047	2.2
107.08639	1.5
109.02891	6.9
111.04449	100.0
116.47305	1.2
119.07085	7.0
119.08559	2.7
121.10133	2.8
127.03936	20.9
129.05501	17.0
142.08549	1.5
145.04968	10.1
145.10077	2.3
167.07094	2.4
181.25537	1.5
185.08125	5.7
199.88800	1.6
201.07629	3.5
203.09143	4.9
211.09698	15.8
227.09224	2.7
229.10719	13.1
245.10225	6.7
247.11752	4.7
263.11264	4.0
285.13391	3.2
301.88614	1.5
303.14389	5.5
321.29703	1.7
329.15967	8.4
347.17023	6.5
389.38049	1.6
407.33853	1.5
462.51718	1.6
476.21402	1.9
519.23871	3.5
591.25653	5.0
609.17719	2.7
609.26941	36.4
609.45618	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	609.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55922	1.2
51.91759	1.8
52.12592	1.3
53.03947	3.6
53.19847	1.3
54.85534	1.6
55.01867	2.7
55.05511	5.6
56.96564	2.8
57.03437	5.1
61.02929	14.0
67.05508	12.4
69.03442	7.0
69.07083	2.8
69.36154	11.8
70.06599	3.2
71.04990	2.8
73.02921	7.6
79.05502	13.6
81.03424	100.0
81.07056	12.9
83.04976	5.6
83.08626	20.7
83.17846	1.4
84.08169	3.0
85.02911	19.3
86.09712	3.3
91.03973	14.6
91.05495	16.5
93.07037	9.1
95.04976	38.2
95.08607	4.5
96.08965	1.4
97.02906	13.4
97.06536	3.9
97.10202	3.8
98.21477	2.7
98.97591	7.7
101.00678	1.4
103.03969	2.3
105.07039	12.7
107.04961	10.5
107.08584	5.0
109.02895	4.5
109.06554	3.8
111.04465	3.7
111.08108	7.3
112.99169	2.9
115.05496	2.4
117.07014	2.0
119.04978	2.3
119.08582	11.0
120.08166	1.6
121.06515	5.2
121.10165	5.1
123.04488	7.8
123.08046	2.4
127.03934	4.3
129.06992	7.1
131.00203	4.1
131.08582	8.7
133.06531	4.6
133.10130	5.9
135.11699	2.8
137.06027	2.0
137.09625	4.1
145.04948	5.6
145.10130	4.2
147.04414	4.2
147.08049	5.6
147.11740	7.0
149.01198	2.8
149.09624	5.1
155.08472	1.3
156.03650	3.1
157.10152	11.2
158.99698	4.7
163.06096	7.6
163.11220	4.9
165.12698	2.5
171.11787	1.7
173.09557	2.1
175.11188	10.6
187.08084	3.0
189.05548	2.5
193.12271	62.5
207.13818	2.5
211.13278	10.1
219.01808	2.3
228.05714	2.2
235.13344	12.0
243.08969	2.7
246.14749	1.9
253.14322	2.2
259.13336	4.3
267.15961	44.0
268.10651	3.8
273.14908	4.9
277.22168	1.9
285.16986	51.6
293.05295	2.2
301.14359	5.3
303.05118	2.4
309.16949	32.3
324.11493	28.3
324.61740	4.4
340.12891	12.9
349.13339	16.1
349.63455	2.1
351.18011	4.7
363.18079	8.7
375.18115	9.2
377.14691	1.7
393.19272	9.0
406.58365	1.5
411.20035	5.2
429.21289	8.9
454.20297	1.6
541.72198	1.5
544.37292	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02510	1.8
53.03957	3.2
55.01871	3.3
55.05522	10.2
56.96558	4.9
57.03438	8.3
58.98388	1.7
61.02929	14.1
62.05248	2.0
63.32161	1.8
67.05502	17.0
68.24727	1.7
69.03416	6.3
69.07066	5.1
70.06597	2.6
71.01366	1.9
71.04979	4.1
71.53928	2.2
73.02930	9.0
79.05492	17.7
81.03424	100.0
81.07060	13.1
83.04991	7.5
83.08622	24.1
85.02903	23.0
86.09703	3.8
88.08123	1.7
91.03960	13.0
91.05481	17.8
93.07047	9.5
95.04973	43.7
95.08593	5.7
97.02891	18.6
97.06555	2.2
98.97595	14.2
99.08128	2.3
105.07047	12.3
107.04976	9.8
107.08580	4.5
109.02892	3.6
109.06521	4.3
109.10168	2.7
110.97545	2.6
111.04440	4.6
111.08092	13.3
112.99132	3.0
115.03989	1.8
116.98709	3.2
117.07038	4.1
119.04924	2.7
119.08611	9.4
121.06516	3.8
121.10181	9.6
123.04449	9.2
123.08105	1.9
127.03918	6.2
127.37904	1.8
129.07008	10.1
131.00163	5.5
131.08568	11.7
133.06479	4.1
133.10149	6.2
135.11670	3.4
137.05975	3.7
143.00220	2.0
145.04965	6.4
145.10114	3.8
147.03207	1.9
147.04437	5.2
147.08047	5.2
147.11697	7.5
149.01266	5.2
149.09636	6.3
156.03677	2.9
157.10109	12.0
158.99667	9.4
163.06035	5.5
163.11205	6.2
165.12733	2.8
170.99655	3.0
173.09717	2.6
175.11185	16.1
177.00731	3.5
187.07983	2.6
189.05421	3.1
189.12672	2.3
191.04031	1.9
193.12259	76.1
207.13818	3.6
211.13251	12.5
217.12308	2.6
219.01703	2.8
228.05736	5.1
235.13336	9.5
243.08783	9.0
246.14845	3.8
259.10294	4.0
259.13336	5.5
267.09039	3.8
267.15915	51.6
268.10629	4.6
273.14850	4.4
285.16980	63.2
293.05573	3.5
301.14398	7.3
303.04807	2.7
309.17010	40.7
311.06229	2.8
324.11496	58.1
324.61652	6.7
340.12863	17.5
349.13370	25.6
349.63687	2.8
351.17950	5.1
363.17941	8.9
375.17883	9.4
393.18881	8.9
411.20105	5.8
429.21320	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	609.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32269	0.4
55.05517	0.5
58.16598	0.4
67.05501	0.6
69.03422	0.5
71.14318	0.6
83.04971	0.8
93.07042	0.4
95.08636	0.4
105.07050	0.5
111.04449	1.4
111.20010	0.4
113.33537	0.4
159.11725	0.5
166.97855	0.4
211.09700	0.6
221.11122	0.4
224.13116	0.6
296.95493	0.4
376.17349	0.4
377.17514	0.5
389.18188	0.6
390.18777	0.9
391.19287	2.0
392.20078	1.1
401.17358	0.6
403.19727	0.5
404.20663	0.8
405.20767	2.8
406.21619	1.4
407.22433	3.3
413.17651	0.6
415.19345	1.8
419.22964	0.8
420.23526	0.6
421.23877	4.1
429.20810	1.5
430.21988	0.6
431.18390	0.7
432.19336	0.9
433.20251	1.7
435.22037	0.5
442.21429	0.7
444.23706	0.9
445.20486	0.9
447.18381	1.5
448.19418	0.7
449.23407	0.6
457.24210	1.2
459.22064	2.1
460.23013	1.1
461.19278	4.0
462.20117	1.9
463.21411	1.2
471.18008	0.8
472.22751	1.0
473.19211	0.5
474.20493	1.4
475.21201	7.4
476.21957	5.9
477.22574	3.6
478.24158	0.7
485.23599	5.6
486.20480	2.8
487.21097	0.6
487.25281	0.5
488.22272	0.9
489.23087	5.3
494.26669	0.6
497.23160	0.5
499.21390	4.0
500.21890	1.2
502.23923	0.6
503.24646	6.8
504.21356	0.5
504.25293	0.5
505.21713	0.8
507.23779	0.8
513.22705	1.7
515.24402	5.9
517.22552	2.2
521.26263	2.5
531.23938	8.8
533.25262	0.6
535.23553	1.0
541.22675	0.8
549.24884	2.3
550.25830	4.7
559.23480	5.3
563.26697	1.4
577.24280	1.4
591.26031	11.1
609.27087	100.0
610.27399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
60.09240	0.3
69.60824	2.3
98.21465	0.7
206.10202	0.3
209.10657	0.5
210.11543	0.4
224.13124	0.4
225.14053	0.6
235.93912	0.4
240.84851	0.3
251.15393	0.5
376.16730	0.5
377.17725	0.5
389.18463	0.7
390.18735	1.1
391.19183	2.3
392.20044	1.0
393.21017	0.5
399.16650	0.5
400.17307	0.7
401.17636	0.8
402.18408	0.4
403.19659	0.8
404.20786	0.6
405.21027	3.2
406.21570	1.9
407.22308	3.2
413.17529	0.6
414.18668	0.8
415.18997	2.2
416.20303	0.4
417.21652	0.7
418.21719	0.7
419.18307	0.9
419.23004	0.7
420.23175	1.0
421.23892	4.8
422.24625	0.7
427.19275	0.9
428.20056	0.5
429.20819	3.1
430.21927	1.6
431.18298	0.6
432.19638	0.8
433.20346	1.5
434.20700	0.8
442.22061	0.5
443.22772	1.0
444.23160	1.4
445.20322	1.0
447.17255	2.0
448.18857	0.5
449.23724	0.6
457.24689	2.7
458.25146	0.4
459.21924	2.7
460.23532	1.7
461.19208	4.9
462.20410	1.7
463.21387	1.4
472.22656	1.1
473.19437	0.7
474.20688	1.1
475.21060	6.8
476.21860	5.3
477.22250	3.7
479.24588	0.8
485.23630	8.8
486.20407	2.5
487.25388	0.7
488.21942	0.6
489.23059	5.1
493.22354	0.6
494.27115	0.8
497.23615	1.1
499.21344	2.5
500.22171	1.5
502.23804	0.8
503.24661	5.2
504.24976	0.6
513.22919	1.7
515.24402	8.8
517.22534	1.0
518.23059	0.6
521.26141	2.7
531.24036	14.0
535.23395	0.7
541.22913	0.8
548.24359	0.8
549.25122	2.6
550.25739	4.2
559.23480	6.1
577.24396	1.0
591.26062	27.2
609.27100	100.0
610.27313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
53.54216	0.5
55.01870	0.7
55.05278	0.8
55.05515	11.7
56.05034	0.9
57.03201	0.6
57.03443	7.0
57.07060	1.9
65.03938	0.7
65.89363	0.6
67.04256	0.6
67.05506	24.9
68.05027	0.7
69.03394	0.5
69.07072	13.9
70.06597	4.0
71.04969	1.2
71.08623	1.0
71.55038	0.6
79.05090	0.5
79.05497	8.1
80.05008	1.6
81.03430	0.7
81.07057	26.2
82.06582	2.5
83.04957	1.4
83.08220	0.6
83.08624	6.1
84.04485	1.7
84.08120	0.9
85.02941	0.5
85.06535	0.6
86.06056	0.6
91.05486	4.8
93.07039	7.9
95.08609	21.2
97.06533	2.5
97.10165	4.2
98.06055	7.6
105.07026	4.0
107.08601	3.3
109.04590	0.6
109.06569	0.6
109.10164	6.8
110.06052	1.0
111.04409	0.9
111.08073	1.1
111.11696	1.1
112.07589	2.3
113.08394	1.5
114.09158	0.6
119.08602	3.2
121.10151	2.9
123.11708	3.3
124.27799	0.6
128.07085	0.7
133.10127	2.1
135.11685	1.5
137.13219	0.6
138.09120	1.3
147.11664	1.2
149.13219	1.1
151.14764	0.7
154.02629	0.7
156.10223	1.6
161.13255	1.4
163.14842	0.7
168.04095	0.8
174.11244	4.9
175.14812	0.5
182.02136	0.8
196.03658	2.8
210.05421	0.7
211.06093	0.6
236.06874	0.6
263.23724	0.9
272.08960	24.9
274.08246	0.8
337.27371	100.0
338.27780	0.6
354.50531	0.6
608.35400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01863	1.4
55.05515	4.9
56.96557	0.9
57.03442	2.5
57.07069	0.8
59.05027	0.8
61.02915	1.1
67.05505	4.5
68.99769	0.8
69.03085	0.7
69.03433	11.8
69.07069	14.5
70.06583	0.8
71.05002	1.2
71.08625	0.6
71.54454	0.6
73.02916	1.3
77.03951	0.5
79.05076	0.6
79.05499	7.3
81.03424	5.0
81.07059	10.5
83.04984	2.1
83.08620	5.3
85.02906	12.3
85.06519	0.5
86.06078	0.9
87.00826	5.1
87.04482	2.7
91.03932	0.8
91.05486	6.9
93.07050	11.7
95.04977	1.5
95.08611	17.1
97.02898	12.6
97.06525	2.4
97.10176	1.4
98.97584	0.5
99.04451	2.0
99.82979	0.5
103.05492	0.7
105.01878	5.8
105.07039	26.6
107.04984	0.7
107.08592	15.3
107.09309	0.9
109.02879	4.6
109.06511	1.1
109.10154	7.0
111.04426	1.2
115.03924	5.6
116.10716	1.9
117.01955	0.5
117.07036	1.8
119.08588	27.4
121.06520	0.5
121.10146	17.5
123.04446	0.5
123.08118	0.6
123.11739	0.7
125.02380	0.6
127.03927	8.6
129.01845	0.6
129.05470	0.7
131.08595	2.8
133.04970	1.4
133.09123	0.7
133.10133	14.0
135.11700	6.8
137.09688	1.0
139.03902	1.6
143.03421	0.4
145.04974	3.3
145.10097	1.9
147.02902	0.6
147.04422	0.4
147.11699	6.0
149.13290	3.7
151.03847	0.6
157.10034	0.5
159.02928	1.4
159.11711	1.0
160.12450	1.4
161.02332	0.7
161.04414	0.8
163.03874	1.1
173.13268	1.1
175.14835	100.0
176.15327	0.5
177.05470	1.3
177.16394	89.4
178.16681	0.6
179.45285	0.5
184.07347	0.7
193.15892	8.1
201.03961	0.6
201.16493	0.7
205.04956	0.6
213.03896	0.9
217.15973	0.6
219.01770	0.5
220.05608	0.5
223.06065	1.0
231.04997	2.3
241.07130	1.4
241.98486	0.5
249.06035	1.3
259.09665	1.8
265.05698	0.6
285.10056	0.5
301.09161	0.7
307.19012	1.2
327.07141	1.9
345.08145	3.1
360.23953	0.7
363.09207	0.7
417.18823	0.5
423.20087	0.6
608.28918	2.5
609.28894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
54.67267	1.9
55.01867	5.1
55.05511	10.4
56.05826	1.9
57.03428	7.5
58.37700	2.2
61.02917	3.1
67.05513	14.3
69.03434	41.9
69.07070	15.9
70.28250	6.0
71.04987	11.6
73.02905	3.7
73.09045	1.9
79.05488	10.0
81.03426	18.5
81.07063	24.3
83.01338	3.4
83.04977	12.8
83.08627	10.2
83.11747	1.8
85.02908	50.4
85.06521	2.8
86.09715	3.4
87.00840	17.9
87.04471	7.8
90.32018	1.9
91.05499	11.3
93.07046	23.8
95.04969	7.5
95.08620	39.1
97.02895	41.8
97.06541	16.7
97.10141	2.3
99.04456	6.5
105.01862	27.8
105.07011	16.8
107.08600	33.7
109.02886	17.3
109.06484	12.5
109.10163	17.8
111.04447	6.2
111.08097	3.7
111.11761	2.8
115.03940	15.3
115.07582	6.8
119.08588	26.6
120.08900	2.8
121.10139	11.6
123.04417	2.3
123.08067	7.1
123.11691	11.8
125.09640	3.2
127.03925	34.0
129.05499	3.8
133.04909	3.6
133.09123	3.2
133.10136	59.6
135.11696	65.9
137.05989	3.0
137.09624	7.9
139.03828	3.3
145.04941	15.0
145.10133	3.7
147.11676	7.3
149.05983	2.6
149.13313	9.8
159.02950	5.7
159.11671	2.6
163.03929	4.4
165.12741	4.3
175.14833	79.9
177.05511	3.8
177.16266	2.5
184.07349	3.0
184.58414	2.4
189.03941	3.0
193.15886	100.0
197.18996	2.6
205.04915	2.1
211.16949	81.1
213.03885	2.6
215.05527	2.3
231.04996	10.0
241.07071	4.5
249.06120	4.1
253.18161	2.4
259.09558	3.4
306.25143	1.9
307.26218	3.2
327.07050	8.1
345.08176	14.5
363.09171	3.2
441.21747	2.4
570.35565	2.0
608.28717	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	608.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01866	2.1
55.05510	5.0
56.96560	1.0
57.03452	3.7
57.07071	1.0
59.04966	0.7
61.02934	1.0
67.05509	4.9
69.03431	11.2
69.07069	14.5
70.06572	1.0
71.04984	1.4
71.50571	1.2
73.02921	1.2
78.30215	0.7
79.05505	7.8
81.03412	4.8
81.07056	12.0
83.04971	2.9
83.08626	6.4
85.02905	12.7
85.06544	1.0
86.09756	1.0
87.00834	5.3
87.04444	2.5
91.05491	8.2
93.07046	15.1
95.04958	2.0
95.08610	18.7
97.02894	13.4
97.06512	2.6
97.10188	0.8
99.04438	3.0
103.05488	0.8
105.01864	6.9
105.07034	31.1
107.08603	17.5
109.02861	4.9
109.06523	1.3
109.10142	8.8
111.04462	0.8
115.03932	5.2
116.10732	2.4
117.06986	1.5
117.72761	0.8
118.99064	0.7
119.08584	30.1
121.09329	1.4
121.10149	16.2
123.08050	1.1
127.03928	8.2
129.05470	1.2
131.08553	2.6
133.04955	1.5
133.10133	14.5
135.11696	6.6
137.09647	1.6
139.03889	1.0
145.04959	4.4
145.10138	3.3
146.10953	0.9
147.11688	7.8
149.13246	4.9
159.02838	0.9
159.11668	1.4
160.12454	0.9
161.04491	0.9
163.03972	1.9
173.13268	1.7
175.14828	100.0
177.16391	86.0
189.03937	0.7
193.15897	6.2
213.03926	1.0
217.15869	1.0
223.05898	1.3
223.95329	0.9
228.04895	0.8
231.05016	2.5
241.07043	1.0
247.04366	1.1
249.06010	1.4
259.09726	1.6
260.09750	1.0
265.05484	1.2
307.18997	1.0
327.07196	1.9
328.87442	0.7
345.08258	3.5
360.23740	0.9
363.09393	1.2
520.38342	0.9
608.29236	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	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01868	1.3
55.05507	4.8
56.96561	1.2
57.03425	3.0
57.07064	1.1
61.02918	1.1
67.05508	5.5
68.92038	0.6
68.99774	0.6
69.03084	1.0
69.03431	13.0
69.07078	10.5
70.06580	0.8
71.04999	1.8
71.53265	1.1
73.02904	1.1
79.05503	7.3
81.03416	6.2
81.07056	13.2
83.01308	0.6
83.04972	2.2
83.08621	5.5
85.02913	12.6
85.56338	0.6
86.09696	1.2
87.00813	4.4
87.04457	2.8
91.05480	5.3
92.77681	0.6
93.07056	12.2
95.04950	2.0
95.08614	20.9
97.02893	12.5
97.06533	2.8
97.10152	1.3
99.04462	2.6
103.05463	0.9
105.01884	5.2
105.04588	0.8
105.07040	31.1
107.04877	0.9
107.08594	17.9
109.02868	5.0
109.06513	1.1
109.10165	9.1
111.04430	1.6
115.03932	5.8
116.10734	1.3
116.98560	0.7
117.07031	1.1
119.08587	21.4
121.06467	0.7
121.10149	17.8
123.11727	1.0
127.03917	8.5
129.05457	1.0
131.08548	1.3
133.04973	1.6
133.10143	9.5
135.11699	7.5
145.04929	3.1
145.10126	1.3
147.11673	5.4
149.13290	4.8
159.02957	1.2
159.11633	0.7
163.03940	2.5
164.04286	0.7
167.07033	0.7
168.15277	0.6
173.13283	1.1
175.14838	100.0
177.05588	0.6
177.16397	97.4
184.07370	1.4
184.44637	0.6
193.15910	3.8
217.15977	0.8
223.06119	0.9
228.04788	6.0
231.05060	1.7
237.14951	0.6
241.07132	1.6
249.05966	1.5
259.09534	2.2
267.09085	1.0
268.09351	0.7
285.09967	1.4
289.25323	0.8
289.66129	0.9
307.19180	1.1
318.33893	0.6
327.07239	1.4
345.08231	2.6
357.15750	0.8
428.11154	0.7
608.12854	0.9
608.28827	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	608.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05509	1.8
57.07073	2.0
59.05019	0.3
62.23709	0.2
65.03935	0.4
67.05502	6.8
69.03432	1.0
69.07071	5.4
69.49480	1.9
76.65714	0.3
79.05499	1.4
81.07065	5.1
83.04985	0.4
83.08643	1.4
85.02927	1.2
85.06532	0.8
87.00826	0.5
87.04473	0.4
90.59063	0.2
91.05479	5.5
93.07042	4.0
94.69019	0.3
95.04926	0.4
95.08611	18.8
97.02893	1.2
97.41354	0.3
98.20807	0.5
103.05460	0.6
105.01862	1.0
105.07037	10.7
107.08601	5.1
109.02880	0.4
109.06528	0.4
109.10160	20.6
115.03957	0.4
115.05431	0.3
117.07030	1.1
119.08588	43.4
121.10159	2.6
123.08057	1.1
123.11733	0.9
124.99221	0.3
127.03923	0.7
129.07011	0.3
131.08577	1.2
133.10136	49.3
134.10854	0.7
135.10698	0.6
135.11696	9.0
137.09618	8.2
145.04926	0.4
145.10126	3.4
147.11691	11.5
149.13272	3.1
150.07681	0.5
151.14810	4.0
159.11748	0.5
160.12471	2.2
173.13287	0.7
175.14830	100.0
176.15149	0.4
193.15889	31.1
237.74231	0.3
474.14172	0.3
491.01440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55207	0.4
52.78345	0.4
55.05516	0.6
57.03426	0.5
58.06616	0.5
60.04525	17.7
67.05505	0.9
69.03432	1.2
69.07072	7.0
70.02947	1.3
70.06588	1.1
71.04987	0.6
72.08140	0.6
81.03405	0.8
81.07059	0.6
84.04503	1.4
84.08131	0.5
85.02911	1.5
85.04041	3.2
86.09705	100.0
87.00843	0.4
87.05586	0.5
89.16191	0.4
91.05485	1.4
93.07053	1.1
95.08600	0.8
97.02904	1.7
97.03978	0.6
97.06497	0.8
98.09653	0.4
103.05454	1.0
105.06596	1.0
107.04961	0.7
107.08604	1.2
113.03479	5.7
115.05024	4.7
119.04980	1.0
121.03986	2.8
121.06504	0.8
123.04436	1.4
125.03471	2.7
127.03937	0.9
127.05005	0.4
129.06651	0.5
131.04942	1.5
132.08170	0.4
133.10146	0.9
135.06857	0.5
136.05101	0.5
136.07570	3.6
137.06013	1.5
138.09109	0.6
139.05095	0.7
141.02960	1.5
141.10246	1.4
145.10010	0.7
147.04391	2.0
148.07565	0.5
152.04555	1.7
153.02917	2.5
153.10283	0.5
153.57399	0.5
154.15932	4.3
155.04546	0.9
155.11884	0.5
157.09866	0.5
158.05984	0.5
160.05493	0.4
160.07581	6.8
162.05547	1.1
163.11215	0.7
164.04608	0.5
165.05484	4.3
170.05772	0.7
171.04433	1.4
173.13162	0.7
175.07506	0.7
176.07033	1.0
181.09697	4.7
182.05608	1.7
182.08115	7.5
183.04008	13.1
186.05586	0.5
189.05510	1.8
190.05188	0.7
193.09709	0.8
198.12497	0.6
199.18069	7.2
200.06665	13.5
203.08170	2.5
204.06586	0.9
206.08194	3.4
212.06836	0.6
220.10860	1.6
222.07678	1.6
223.10930	0.6
226.11914	1.0
227.12813	1.9
227.17543	13.6
231.07729	1.0
232.06046	0.9
239.10355	1.5
245.09341	0.5
248.10414	1.2
249.08728	3.7
250.11884	2.2
254.11453	0.6
266.11465	0.9
267.14606	0.5
268.12933	6.8
275.10150	0.7
276.09879	0.7
277.08319	1.3
283.15408	1.0
285.15598	3.4
290.11456	1.3
291.09839	2.1
291.17126	0.6
294.10809	1.9
295.13776	1.4
295.16626	7.3
296.12442	6.3
305.10620	0.6
313.15057	43.0
317.14978	0.5
318.10867	0.6
322.10239	0.5
334.17572	0.6
335.13535	0.6
336.11923	1.6
353.14532	0.5
362.17184	1.0
363.13007	0.7
363.23187	0.4
367.19696	1.4
379.19769	2.9
381.14032	6.1
407.19128	1.9
408.24988	4.3
425.63617	0.4
426.23669	0.5
435.18353	0.7
439.67120	0.5
449.20682	0.9
466.23010	2.1
475.25919	0.6
476.21548	1.5
477.19568	0.5
492.27850	0.6
494.22427	9.7
520.27753	7.3
544.27740	0.4
548.27136	1.6
562.28491	2.7
579.31342	5.6
589.30139	1.1
590.28040	2.0
607.22247	1.0
607.31189	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	607.2914
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
70.79102	0.7
110.56693	0.3
141.49109	0.3
148.28368	0.4
387.15994	0.6
388.17395	0.4
389.17542	1.0
390.18875	0.6
402.18518	1.1
403.19266	2.7
404.19855	0.7
405.20654	1.4
415.19412	0.7
416.19992	1.5
417.16177	0.7
417.21304	4.5
418.21866	2.2
419.22443	3.3
429.21289	0.6
430.17883	1.1
431.18164	8.7
431.23511	0.4
432.18445	1.8
432.24179	0.5
433.24091	10.0
433.29813	0.7
434.24515	1.2
444.23917	0.5
445.19833	9.6
446.20807	4.2
447.21689	3.8
457.19717	0.4
459.21439	5.3
460.17651	0.2
460.22522	13.8
461.23401	14.4
464.85858	0.3
473.23663	3.8
474.24451	1.8
477.22763	1.0
487.25214	2.0
488.26126	0.4
489.23224	0.6
492.24985	0.9
504.24799	0.4
505.21909	2.7
506.26929	0.7
515.24438	1.0
518.23395	0.5
519.24347	2.0
519.26813	1.7
532.24683	1.0
533.25647	0.5
547.27075	52.2
548.27441	1.0
575.26556	0.9
579.29852	0.9
607.29163	100.0
608.29639	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.81333	0.3
52.00492	0.3
52.88093	0.3
55.08048	0.4
70.33450	0.6
70.33842	0.6
91.05495	0.4
96.39185	0.3
125.30427	0.3
212.72308	0.3
223.12323	0.3
286.23914	0.3
300.04144	0.3
326.16455	0.3
373.15466	0.4
375.16150	0.5
388.16898	0.8
389.17590	2.1
390.18533	0.6
391.19272	1.0
401.17731	0.6
402.18738	0.5
403.19461	3.9
404.19992	1.5
405.20752	2.9
416.16269	0.9
417.16302	3.4
417.21234	1.5
418.17819	1.1
418.22318	0.6
419.22430	5.6
420.23111	0.6
427.19141	0.4
430.17706	0.7
431.18378	6.3
432.19226	3.2
433.20206	3.2
443.18756	0.5
444.20169	0.5
445.20276	5.1
446.21069	6.9
447.21844	6.8
448.22955	0.4
459.22849	1.8
460.18588	0.7
461.19830	1.2
462.24564	0.4
463.20413	0.6
463.25851	0.4
473.19278	0.8
474.20361	4.3
475.21069	4.3
477.23215	0.7
478.23785	0.8
487.21280	1.7
490.23569	0.5
491.19943	2.3
501.23102	1.1
505.22537	0.6
506.22787	0.4
519.24091	16.3
520.24744	0.6
532.20886	0.4
547.23401	14.2
551.26691	0.4
559.19476	0.4
561.24976	0.5
579.25952	5.5
607.25525	100.0
608.25763	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.73035	0.3
65.72784	0.3
70.79008	1.2
72.72153	0.4
94.19154	0.4
110.87362	0.4
180.85800	0.4
226.81575	0.4
297.52490	0.4
388.16809	0.6
389.17661	1.1
401.17740	0.8
402.18463	1.0
403.19275	3.3
404.20038	1.1
405.20892	1.7
415.19534	0.7
416.20395	0.9
417.16428	1.1
417.21503	3.0
418.21805	2.8
419.22388	4.4
429.21323	0.5
430.17877	1.2
431.18130	8.8
431.23651	0.7
432.18549	1.9
432.24277	0.6
433.19196	0.7
433.24136	9.0
434.24564	1.1
444.19003	0.9
445.19858	11.2
446.20673	4.3
447.21741	4.5
459.21603	4.5
460.22607	10.1
461.23416	10.6
473.24030	3.0
474.24631	0.8
477.22931	0.7
487.25064	1.4
488.26019	0.6
491.24936	0.8
504.25443	0.5
505.21979	3.4
518.23328	0.7
519.24219	1.3
519.27576	1.4
532.25281	0.5
547.27106	27.9
578.25415	0.5
607.29156	100.0
608.29437	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	606.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05515	6.8
56.05019	0.8
57.03447	6.4
57.07047	1.0
59.40872	0.6
64.30282	0.7
65.03931	1.4
67.04240	0.7
67.05506	29.7
69.07072	7.1
69.34194	5.9
70.06593	5.9
71.04961	1.4
79.05079	0.9
79.05498	15.0
79.82122	0.8
80.05028	2.5
81.03373	0.8
81.07061	24.3
82.06570	2.3
83.04960	1.0
83.08613	3.2
84.04516	1.0
85.02914	1.0
86.09700	1.0
91.05480	6.7
93.06483	1.4
93.07050	16.8
95.04968	1.5
95.08609	20.0
98.06056	11.3
105.04493	0.9
105.07037	4.7
107.08594	7.5
109.10168	6.6
112.07582	1.7
113.08372	1.8
114.09189	1.2
117.06980	0.8
119.08562	3.1
121.10166	6.2
123.08099	0.8
123.11694	1.8
128.07034	0.8
131.08582	2.4
133.10178	2.2
135.11714	3.0
136.93074	0.9
145.06181	0.7
145.10106	1.4
147.11641	1.5
149.09720	0.8
149.13261	1.5
154.94154	1.2
156.10211	2.0
159.11615	0.7
161.13277	1.1
168.04146	0.7
172.95227	0.8
173.13234	0.8
174.11261	5.9
175.14871	0.8
196.03717	4.5
246.20818	0.8
270.07397	0.8
272.08948	30.8
274.12903	0.8
284.89838	0.6
319.19449	0.9
335.25815	100.0
342.90222	0.7
455.19150	1.3
473.19623	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	606.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.01878	7.9
55.05501	22.1
56.96549	5.6
57.03434	11.9
57.07059	10.6
61.02908	16.1
67.05512	44.0
69.03429	31.2
69.07072	34.8
69.35825	4.4
70.06593	39.3
70.89265	4.8
71.05003	35.1
71.54932	7.3
72.08170	11.7
73.02914	9.7
73.06533	4.7
79.05495	43.8
80.05823	8.5
81.03409	22.0
81.07061	91.3
83.04974	11.6
83.08616	12.5
85.02890	44.4
85.06539	12.0
86.09692	5.7
87.00848	8.6
88.07635	66.8
91.03968	11.5
91.05468	39.7
93.07052	98.3
94.07405	5.3
95.04962	8.1
95.08605	62.0
97.02903	40.7
97.06524	14.5
97.10165	15.4
98.97587	6.8
99.04429	16.0
105.01910	7.5
105.07034	73.6
107.08608	92.9
109.02878	13.6
109.06528	6.5
109.10162	68.6
111.11743	5.4
114.05518	21.7
117.07017	13.6
119.08575	72.1
121.06504	5.6
121.10150	65.7
123.11693	20.9
125.09638	42.2
127.03967	23.0
127.11189	33.4
129.05446	5.3
129.07007	14.7
131.08565	19.3
133.10136	51.5
135.11702	25.3
137.09628	10.7
139.11205	6.6
142.07742	8.1
143.08525	20.5
143.10687	100.0
145.04932	11.3
145.10138	51.6
146.10799	5.0
147.11711	65.0
148.12018	5.1
149.13275	43.2
151.11227	5.8
153.12762	7.6
157.10098	21.2
159.11713	43.5
161.13245	21.2
162.13661	4.8
163.03908	4.7
163.14798	6.0
165.12730	6.6
171.11662	17.0
173.04533	5.4
173.13219	17.5
175.14867	9.7
177.16507	5.7
185.13263	12.2
187.14854	5.7
189.12740	6.0
189.16420	9.5
193.15698	5.0
199.14847	10.5
201.16402	63.9
203.17892	10.1
207.13858	8.8
208.14058	7.7
213.16359	13.4
214.13260	4.6
215.07045	5.7
215.17949	5.5
219.17456	7.1
229.19398	6.2
269.22653	36.6
281.17636	22.4
282.17883	36.2
287.16345	5.5
287.23749	55.2
303.23566	6.3
305.24734	47.1
322.27420	83.9
340.28522	60.0
358.29520	52.2
426.21835	7.3
442.08783	7.2
444.11032	8.1
546.29974	10.9
606.22992	10.2
606.33228	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	606.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.05509	2.1
55.46723	1.1
56.37314	0.9
57.03432	1.2
64.41927	1.2
67.05512	2.8
68.99773	1.0
69.03432	10.9
69.07044	2.0
70.06585	3.4
71.05020	1.3
71.54185	1.3
79.05489	6.1
81.03422	3.7
81.07068	7.4
83.04964	2.9
85.02911	7.8
86.09715	2.3
87.00808	3.0
91.05476	4.7
93.07041	4.8
95.04958	2.1
95.08612	3.0
97.02881	5.4
97.06528	1.9
99.04424	1.2
105.01878	3.2
105.07032	6.9
107.04945	3.4
107.08594	18.8
109.02853	3.2
109.06516	3.6
109.10177	4.5
110.09800	1.1
111.04370	1.0
115.03893	1.5
117.07014	1.9
117.85551	1.1
119.08594	4.1
120.08153	1.6
121.06494	1.9
121.10159	10.0
122.07298	2.2
123.08093	1.9
127.03945	5.1
129.07004	1.1
131.08556	3.2
133.10139	100.0
135.08073	9.5
135.11671	2.7
137.05966	8.1
137.09624	51.6
140.10751	1.8
145.04936	1.5
145.10123	2.6
147.11697	2.0
148.47086	1.1
149.09674	1.7
149.13266	11.6
151.03905	1.5
163.14835	2.2
173.13266	7.1
173.14812	1.0
175.07562	2.7
177.05569	1.6
187.07634	1.6
191.14319	84.7
209.15390	23.8
229.12263	1.7
231.05055	1.6
323.12564	1.1
325.10776	1.2
403.17529	1.2
421.18536	4.9
426.32333	1.9
439.19620	7.0
457.20609	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01876	0.6
55.05513	2.1
57.03425	0.9
61.02913	0.9
62.06081	0.5
66.19899	0.4
67.05241	0.3
67.05507	3.2
67.32596	0.3
68.05850	0.4
69.03436	2.8
69.07065	1.7
70.06594	0.7
71.04986	0.8
71.07359	0.3
71.08638	5.0
71.54160	0.5
72.08136	1.2
73.02897	0.6
78.01774	0.5
79.05481	2.2
80.05830	0.5
81.03416	2.3
81.07062	4.6
82.06557	0.3
83.04980	0.6
83.08617	0.7
84.08138	1.3
85.02905	4.4
85.06541	0.6
86.05591	0.5
86.06075	6.8
86.09696	0.5
87.04471	0.6
91.05479	3.1
93.07041	2.1
95.04955	1.8
95.08589	2.1
96.08121	1.9
97.02901	1.8
97.06557	1.6
97.10165	0.6
98.06054	0.9
98.09694	2.7
98.52249	0.3
99.04453	0.7
99.08102	2.8
105.07034	2.9
107.05006	0.8
107.08605	1.3
108.08141	1.7
109.02863	1.1
109.06522	1.3
109.10180	1.7
110.09717	0.4
111.04455	0.4
114.09177	0.4
115.05462	0.4
116.10735	19.4
119.04921	0.6
119.08595	2.8
120.08962	0.3
121.10110	0.9
122.09644	0.9
123.11709	0.3
124.07599	0.6
125.09589	0.5
127.03924	1.7
129.07021	1.2
131.08601	0.7
133.10146	1.4
136.11250	0.7
140.10683	0.7
142.08623	1.0
142.12219	0.5
143.10661	2.5
145.04959	0.4
145.10156	0.6
147.11714	4.7
149.09607	0.6
153.15106	0.3
154.15918	2.9
157.06516	0.3
157.10129	2.4
161.05939	0.4
165.12756	1.0
166.15942	2.1
168.17465	0.5
171.08167	0.4
173.06003	0.6
173.11719	0.7
175.11211	2.2
178.15942	1.3
184.07336	0.5
189.05493	0.5
189.96869	0.3
193.12276	4.2
196.16983	6.6
211.13310	1.8
214.18027	100.0
215.18404	0.5
217.46890	0.3
229.14343	4.0
285.17145	0.4
287.05426	1.9
288.05835	1.8
301.14352	0.8
302.14700	1.1
308.21945	0.4
316.16312	0.4
326.23373	3.4
344.24310	4.9
355.17609	0.7
369.24527	0.3
376.23300	19.9
424.30576	3.4
442.31705	6.5
452.54626	0.3
506.29584	2.0
508.37207	0.4
544.29486	0.5
568.29730	0.8
574.30939	0.6
586.29956	2.2
604.37860	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	602.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10526	4.0
53.03944	4.4
54.16672	3.9
55.05513	21.8
62.05912	3.7
67.05507	30.1
69.07067	48.8
79.05500	43.6
81.07059	41.2
83.04977	8.2
83.08611	8.2
91.05488	28.5
93.07058	56.3
94.86797	4.0
95.04982	18.9
95.08602	25.8
97.06525	11.3
97.10164	6.9
105.07037	35.0
107.04971	28.9
107.08601	24.4
109.10144	5.7
117.07066	6.2
119.08577	27.1
121.10155	39.7
131.08585	20.6
133.10175	27.1
135.08072	27.0
135.11720	5.3
139.11185	31.2
145.10120	10.8
147.11691	11.1
149.09637	13.8
159.11711	12.3
163.11269	6.6
173.13295	6.2
175.10652	4.3
217.14372	52.2
251.16484	7.3
257.19104	9.7
275.20065	100.0
307.22665	96.1
390.55383	3.8
427.49063	5.1
551.64783	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	604.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42130	0.3
56.05020	0.8
56.09213	0.3
57.07081	0.4
58.06612	0.6
60.07891	0.6
60.08167	7.2
67.05508	0.5
69.07076	0.4
69.33374	0.7
69.33781	2.1
71.07372	3.5
72.08135	0.6
79.05473	0.8
81.07053	0.9
86.09711	37.3
86.34661	0.3
91.05500	0.4
93.07063	0.4
97.06541	0.3
98.21532	0.6
98.98470	4.2
104.10756	3.4
105.07014	0.5
107.08598	0.4
123.08080	0.3
125.00009	24.0
133.10126	0.3
137.06007	0.3
152.08311	0.4
165.09166	0.4
171.50177	0.3
177.92548	0.3
184.07347	100.0
185.07634	0.5
194.12843	0.3
256.85745	0.3
277.55402	0.3
282.04218	0.3
333.24329	0.7
347.20187	0.3
347.21689	0.4
347.25839	3.6
365.26816	3.3
421.29501	14.8
428.18091	0.3
506.99173	0.4
545.28839	9.2
586.35040	0.9
604.36310	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	602.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
53.14995	0.8
55.01878	1.5
55.05520	4.3
57.07061	1.3
67.05508	12.9
67.19205	0.8
68.27804	0.9
69.07073	7.7
69.58931	4.9
71.08612	1.1
74.00664	2.8
76.02228	1.2
79.05494	5.8
80.04980	1.3
81.03422	1.0
81.07071	13.1
83.04990	2.0
83.06096	1.2
83.08620	1.6
84.04525	5.0
86.00668	2.5
91.05486	4.0
93.07061	6.2
95.04951	2.0
95.08609	10.6
97.01116	1.3
97.02881	0.9
97.06522	2.2
97.10159	1.2
99.01452	1.3
105.07037	2.8
107.08611	4.1
109.10164	2.7
112.02221	2.8
114.03750	4.3
116.01670	3.2
119.08584	3.3
121.10149	4.0
123.11766	1.3
126.03705	1.1
129.06625	1.0
130.04991	1.5
131.08620	1.4
133.10118	2.2
135.11674	2.6
137.09616	2.6
137.13234	2.2
147.11659	1.9
151.11145	0.8
161.13261	1.2
161.27483	0.9
162.02211	1.2
165.09195	1.0
173.11841	1.0
184.07352	1.5
196.11606	4.5
196.13158	0.8
215.04860	2.4
216.05649	1.8
224.11060	21.0
224.20169	0.8
231.04355	2.2
241.11235	1.2
242.12119	32.1
277.21683	5.6
294.24268	1.9
295.22705	4.5
334.22070	1.9
335.20300	2.3
344.13974	8.6
352.23065	10.7
353.21509	2.2
370.24133	7.0
431.19049	1.7
432.19235	3.6
455.25763	100.0
456.26141	1.5
512.29169	2.7
527.27710	3.8
584.29834	1.2
602.31976	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	602.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81747	0.5
52.89787	0.5
54.83553	0.5
55.15261	0.5
56.05035	0.9
57.07075	5.3
58.06589	2.3
60.57010	0.5
65.03941	0.8
67.05493	1.1
67.59381	0.5
68.05038	0.6
69.03437	0.7
69.07063	1.5
69.70470	1.3
69.70877	2.2
70.06596	16.3
71.08639	3.4
79.05482	1.1
81.07072	1.6
86.09705	5.7
87.10044	1.3
88.07634	22.0
95.08617	0.9
97.06535	0.9
98.09715	1.0
102.09184	13.3
105.03364	0.7
108.08125	1.2
109.10132	0.8
114.48589	0.5
121.02858	0.6
129.03252	0.5
131.08673	0.6
132.19156	0.5
135.96107	0.5
147.04410	0.7
149.02354	32.9
149.03407	1.4
175.03934	0.7
177.05492	0.8
184.07394	1.0
193.03543	0.6
193.04968	42.8
200.20107	47.4
219.06454	1.0
222.16989	0.6
225.05615	1.1
237.07587	12.1
242.12061	0.7
244.22717	0.6
248.66568	0.5
269.04504	1.5
297.04019	1.9
307.18527	0.8
313.07123	1.7
341.06589	9.7
359.07526	6.3
363.07068	0.7
385.05194	0.4
385.09189	19.1
429.11841	26.8
431.18802	1.1
432.19254	2.3
455.25784	2.2
458.20868	0.8
461.26816	0.8
465.67740	0.7
489.25937	0.7
574.35248	1.7
584.28778	1.9
602.29553	100.0
603.30219	1.5
633.50146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01851	3.2
55.05528	21.6
56.84358	3.6
57.07064	12.7
59.05006	5.8
65.03954	5.9
67.05507	39.7
69.03415	11.5
69.07069	27.8
69.16440	40.5
71.04994	5.3
71.50986	3.4
74.48619	3.5
77.03896	3.9
79.05122	4.2
79.05501	34.7
81.03418	8.4
81.07061	44.2
83.04986	20.9
83.08617	8.3
83.25468	3.4
85.06555	12.1
87.77615	3.4
91.05486	60.8
93.07047	68.4
95.04973	16.4
95.08620	35.2
96.80291	3.3
97.06534	12.6
98.21581	4.9
103.05473	3.9
105.07037	100.0
107.04955	13.7
107.08612	61.7
109.06514	12.9
109.10175	25.1
111.31164	3.3
115.05405	6.0
117.07026	20.4
119.06193	3.9
119.08596	88.8
121.06509	13.1
121.10155	61.8
121.14580	4.1
123.08059	14.5
123.11694	11.9
125.09582	10.9
128.06200	12.6
129.06995	15.6
130.07732	4.9
131.08578	33.2
133.10149	45.5
133.88116	4.1
135.08057	13.5
135.11691	12.3
137.09622	13.2
139.11159	4.6
141.06976	6.5
142.07799	21.2
143.08594	31.7
144.09424	7.7
145.10133	56.9
147.08047	13.1
147.11661	20.2
149.09639	28.4
151.07559	8.5
154.07744	4.6
155.08539	14.4
156.09380	22.1
157.10141	50.8
158.10826	5.2
159.08090	12.3
159.11690	26.4
161.09619	13.3
161.13257	11.4
163.11180	15.5
165.07043	6.9
165.09126	28.2
167.10715	32.9
168.09262	6.7
169.10141	25.6
170.10873	7.8
171.11711	30.2
173.09637	4.9
173.11855	4.4
173.13194	20.2
175.14832	9.6
177.12732	4.9
179.08589	10.5
181.10216	6.4
181.12212	9.8
182.10896	5.5
183.11685	18.9
185.09711	5.4
185.13235	15.2
187.11232	6.4
187.14787	8.0
189.12737	6.5
191.14297	5.1
193.10104	8.8
194.10890	9.1
195.11758	19.9
196.12395	7.9
197.13290	19.7
198.13922	4.4
199.14731	5.8
201.16489	3.8
203.14328	10.4
206.11006	5.4
207.11646	9.4
207.13751	4.5
207.64050	4.3
208.12485	9.1
209.13199	25.7
209.15237	7.3
211.14830	13.2
213.12685	6.0
213.16348	7.3
217.16034	4.9
219.17479	5.8
221.13278	10.2
221.15355	55.1
222.15707	5.0
223.14893	10.1
225.16310	6.3
227.14380	4.4
233.13324	6.5
233.15289	17.6
235.14946	7.8
237.16493	5.9
239.17938	5.7
241.16008	4.4
247.14668	5.0
249.16438	7.4
251.17920	3.8
259.14825	6.4
261.16660	6.3
265.19553	7.8
269.19043	4.6
273.18585	5.7
275.20035	14.6
277.19397	5.4
283.20624	6.2
286.19064	5.7
291.19571	33.3
295.20575	4.6
299.20099	5.2
311.19910	4.8
352.24127	4.8
353.23987	5.9
367.26395	6.4
542.24762	4.0
565.40094	10.5
583.41095	11.7
601.42249	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	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71108	2.3
53.03935	6.8
55.05512	20.6
57.03440	2.2
57.07077	7.4
59.05019	2.5
65.03952	5.6
67.05515	30.3
69.03431	12.5
69.07072	21.3
70.47501	7.0
71.05000	2.7
72.62795	2.5
79.05501	36.3
81.07067	42.4
83.04977	22.4
83.08630	19.4
85.06523	6.0
87.04504	2.7
91.05487	58.5
93.07049	68.9
95.04977	23.9
95.08612	38.0
97.06522	12.7
103.05453	6.3
105.04543	2.4
105.07038	100.0
107.05012	2.5
107.08600	69.2
109.06514	14.0
109.10168	31.2
111.08083	5.2
113.09645	4.4
113.59315	2.1
115.05462	5.9
116.06294	2.4
117.07030	24.0
119.08583	87.5
119.25292	2.2
121.06521	11.9
121.10154	81.1
123.08062	18.2
123.11699	9.6
125.06001	4.0
125.09637	15.0
128.06232	11.3
129.07024	19.0
130.07790	6.9
131.08571	39.4
133.06528	4.8
133.10144	59.6
135.08058	18.3
135.11702	18.8
137.09642	8.8
139.11194	5.4
141.07008	7.7
142.07777	20.9
143.08575	37.8
144.09334	7.8
145.10127	69.8
147.08066	13.7
147.11707	23.9
149.09608	20.9
149.13313	4.0
151.07527	7.9
151.11237	2.7
153.06952	2.6
155.08559	17.0
155.10663	4.8
156.09363	15.6
157.10139	60.4
158.10921	5.2
159.08055	18.4
159.11699	38.7
161.09637	12.4
161.13264	8.0
163.11160	8.1
165.07034	6.3
165.09103	12.6
166.07788	2.6
167.08542	9.8
167.10689	64.5
167.12114	3.8
168.09325	6.6
169.10136	26.6
170.10881	8.4
171.11711	33.2
172.12424	3.0
173.09630	4.8
173.13298	18.6
175.11235	10.6
175.14806	13.8
177.12785	4.2
179.08612	10.8
180.09402	4.3
181.10124	17.1
181.12132	5.6
182.10913	10.7
183.11703	26.3
184.12508	3.8
185.09622	3.9
185.13300	16.1
187.11237	6.1
187.14864	14.5
189.12730	7.5
191.14305	6.9
192.09402	4.6
193.10143	13.1
194.10913	10.0
195.11685	25.1
196.12433	5.0
197.13242	25.2
199.11229	4.4
199.14896	13.9
201.12814	4.0
201.16357	7.8
203.14362	6.5
205.10172	4.1
206.10904	5.9
206.37712	2.3
207.11765	15.9
207.13657	3.6
208.12436	5.2
209.13297	19.0
209.15225	4.7
210.13945	4.8
211.11313	5.6
211.14828	14.6
213.12883	4.7
213.16426	5.0
215.14346	8.0
217.15823	6.3
218.10915	3.3
219.11694	4.8
220.12431	5.3
221.13255	11.9
221.15424	25.7
223.14789	17.9
225.12773	4.2
225.16322	5.0
227.14313	6.2
231.17471	3.0
232.12354	2.7
233.13266	4.4
233.15355	29.6
234.13884	3.5
235.14790	8.5
236.15520	2.9
237.16403	9.1
239.17931	4.4
241.15875	3.4
245.13280	4.9
246.14087	2.7
247.14793	7.3
247.17097	3.8
249.16362	5.3
251.17912	4.7
253.19670	3.2
257.19058	5.1
259.14676	4.2
261.16403	6.5
263.17957	6.2
265.19437	6.6
267.17532	4.7
267.20844	2.2
269.19003	8.5
273.16260	2.9
273.18768	2.8
275.17841	5.8
281.19092	5.0
283.20572	6.5
285.18762	4.2
287.20251	4.5
289.19421	3.0
295.20547	6.1
299.20062	6.4
301.22076	4.6
311.20190	3.2
349.25275	6.9
357.25653	2.8
361.25244	3.1
367.26453	3.7
375.26593	2.8
437.42712	2.5
464.56381	2.7
491.34729	2.5
565.40588	8.4
583.41821	11.4
601.42749	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.05506	5.3
57.07084	7.3
59.04996	2.1
64.42432	1.3
67.05505	8.0
67.17216	1.1
69.03435	7.1
69.07085	6.6
69.38328	9.5
69.68800	1.1
72.44960	1.1
79.05492	11.5
81.03388	1.4
81.07063	14.9
83.04996	3.2
83.08634	2.0
85.06557	2.7
91.05480	19.6
93.07053	30.0
95.04987	4.1
95.08615	14.8
97.06526	2.2
98.21479	2.8
103.05442	1.4
105.07040	30.1
105.07702	2.3
107.08591	16.9
107.72532	1.2
109.06502	7.4
109.10162	8.5
110.37282	1.4
111.08109	3.4
115.05467	1.2
117.07029	7.8
119.08588	31.6
121.06520	5.5
121.10160	18.8
123.08076	13.1
123.11734	1.3
125.06010	3.0
128.06230	2.2
129.06984	5.9
130.07787	2.5
131.08588	13.0
133.10149	16.4
135.08105	7.0
135.11700	5.8
137.09619	11.3
141.06998	2.8
142.07828	4.6
143.08583	10.5
144.09322	4.5
145.10124	26.4
147.08057	19.5
147.11681	6.4
149.09618	5.5
151.07578	11.6
155.08600	4.1
156.09355	4.1
157.10136	15.0
158.10794	2.2
159.08038	2.0
159.11702	14.8
161.09642	4.3
161.13292	7.3
163.11157	6.8
165.09123	46.2
167.08655	2.0
168.09378	3.0
169.10074	6.4
170.10966	3.3
171.11726	7.2
173.09634	2.9
173.13297	5.4
175.11215	2.7
175.14853	5.0
177.12766	1.7
179.08536	1.5
179.10742	1.6
181.10144	2.8
181.12250	8.7
182.10922	1.9
183.11697	7.3
185.13257	5.9
187.14854	4.9
189.12801	4.0
190.13606	1.7
193.10184	3.4
195.11768	3.4
195.65271	1.3
196.12498	1.5
197.13290	5.0
199.14746	2.4
201.12822	2.0
203.14348	13.0
207.11829	2.9
207.13857	5.7
209.13268	4.9
209.15251	2.6
211.14890	3.8
213.12871	2.0
213.16426	2.7
221.13373	4.8
221.15375	100.0
222.15727	2.9
223.14749	3.1
225.16313	1.5
229.15976	1.8
235.14848	2.8
237.16446	2.2
246.13696	1.6
247.14714	1.9
247.17056	3.0
249.16447	1.4
275.20078	1.7
283.20856	1.6
285.18582	1.7
286.19409	2.2
287.20068	4.3
299.20114	2.6
300.20731	3.4
301.21750	3.0
312.20908	1.9
367.26328	7.2
393.27896	2.8
441.29639	3.4
491.35181	11.6
503.35849	1.5
509.36206	2.6
521.36041	7.6
562.69043	1.5
565.40363	3.0
583.41510	10.5
601.42407	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.05504	4.9
57.07083	6.3
59.04992	1.9
65.03938	1.7
67.05511	8.4
69.03434	6.4
69.07063	4.0
71.08640	1.5
71.55155	1.1
71.55592	1.8
79.05503	8.6
81.07060	15.0
83.04972	2.3
83.08609	1.6
85.06538	2.0
90.81693	1.1
91.05477	18.2
93.07051	31.3
95.04987	5.6
95.08607	19.5
97.06540	2.9
105.07030	29.6
107.08592	18.3
108.08964	1.9
109.06509	6.6
109.10159	8.3
115.05398	1.4
117.07018	6.9
119.08588	31.2
120.08849	1.6
121.06471	3.7
121.10149	16.6
123.08080	12.3
123.11682	2.2
125.05997	3.9
128.06236	2.9
129.07007	6.2
130.07768	2.9
131.08598	12.2
133.06511	1.2
133.10132	19.1
135.08066	9.8
135.11681	7.2
137.05925	1.2
137.09637	11.3
137.84109	1.2
141.06967	2.1
142.07755	5.3
143.08577	11.1
144.09366	1.8
145.10136	24.0
147.08041	18.3
147.11659	6.5
148.08437	1.2
149.09621	3.8
151.07553	10.3
155.08557	4.6
156.09300	5.4
157.10138	16.1
158.10776	2.8
159.08057	2.5
159.11708	14.8
161.09650	3.2
161.13264	3.9
163.11186	8.4
165.09111	36.6
167.08592	1.5
168.09285	3.0
169.10118	7.9
170.10817	2.8
171.08063	1.6
171.11691	10.5
172.12386	1.5
173.09488	2.0
173.13300	5.8
175.11200	4.5
175.14815	4.5
179.08636	1.4
180.09332	1.5
181.10127	2.5
181.12231	10.3
182.10860	2.6
183.11700	10.1
185.09618	1.4
185.13274	6.3
187.11221	2.2
187.14868	3.2
189.12770	5.2
191.14307	3.7
193.10158	2.7
193.12106	2.1
194.10873	2.9
195.11717	5.2
196.12444	1.8
197.13269	6.8
199.11234	2.1
199.14812	1.3
201.12767	1.4
201.16533	1.8
203.14317	14.3
207.11665	3.8
207.13806	5.5
208.14514	1.6
209.13246	6.3
209.15137	2.4
211.11273	1.8
211.14819	4.2
212.15462	1.3
213.12794	1.7
213.16454	2.3
219.11644	1.4
220.12392	1.5
221.13481	4.8
221.15369	100.0
222.15691	5.3
223.14859	4.2
225.16306	2.5
227.14287	1.6
229.12080	1.2
233.13190	2.1
234.16118	2.8
235.16725	1.9
237.16425	1.8
247.14742	1.5
247.16928	4.8
248.17581	2.0
249.16245	1.7
251.17932	1.4
275.19843	1.5
283.20679	1.6
286.19186	2.0
287.20087	5.0
299.20007	4.0
300.20792	3.8
301.21518	4.0
311.20041	1.9
313.21527	2.3
325.21652	2.2
340.23846	1.9
341.24252	1.7
352.23962	3.2
353.24344	3.1
365.24545	2.0
367.26242	8.5
375.26981	2.3
393.27658	2.1
403.30185	1.4
427.28046	2.0
428.28729	1.8
441.29416	7.4
464.32599	1.9
491.35382	9.7
509.35861	2.9
521.36035	9.7
583.41302	14.3
587.43030	1.4
601.42493	36.1
601.55634	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	601.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.2
55.05518	0.4
57.03436	0.3
59.23552	0.2
60.05652	0.4
60.08164	0.3
61.93655	0.2
67.05497	0.6
69.03432	0.6
69.07073	0.4
70.06580	0.2
71.54668	0.2
79.05495	0.5
80.11150	0.2
81.03421	0.5
81.07049	0.6
85.02911	0.3
86.09694	0.4
86.70272	0.2
91.05489	0.4
93.07053	0.3
95.04975	0.3
95.08639	0.3
97.02960	0.3
97.06535	0.5
98.97555	0.3
105.07087	0.5
107.04926	0.2
107.08569	0.3
109.10179	0.3
119.08599	0.3
120.99088	0.2
121.10150	0.3
123.58552	0.3
125.00010	0.3
133.10107	0.4
147.11664	0.3
148.53616	0.2
148.90125	0.2
184.07256	0.5
201.03760	0.2
203.05252	1.3
203.41829	0.2
251.08275	0.2
259.07837	1.6
331.10074	0.3
365.23007	0.5
421.26025	0.3
431.18799	1.3
439.26831	1.9
457.20764	0.3
475.21332	0.5
503.24710	2.0
531.23926	0.9
571.31152	1.1
601.31982	100.0
602.32465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.3
55.05512	0.5
67.05501	1.0
69.03445	0.5
69.07072	0.6
70.04985	0.5
70.05395	0.8
71.04981	0.7
79.05499	0.8
81.03413	0.9
81.07061	1.3
83.04992	0.4
83.33410	0.3
85.02900	0.6
86.09708	0.9
86.64394	0.3
91.05495	0.4
93.07073	0.7
95.04965	0.4
95.08608	0.8
97.02940	0.4
97.06551	0.8
98.21438	0.3
98.97647	0.5
98.98453	0.3
103.05473	0.3
105.07014	0.3
107.04971	0.3
107.08604	0.6
109.02907	0.4
109.10149	0.5
117.07038	0.3
118.58685	0.3
119.08625	0.5
119.70038	0.3
121.06506	0.3
121.10161	0.7
125.00001	0.7
125.09603	0.4
133.10146	0.3
135.11697	0.5
145.10083	0.5
149.09628	0.3
163.03911	0.3
184.07373	3.2
185.04243	0.5
185.07689	0.5
203.05339	0.8
211.73338	0.3
259.07962	1.2
301.14487	0.5
315.09705	0.3
324.11957	0.3
365.22604	0.4
421.25699	0.4
427.17380	0.6
431.19125	0.7
439.26593	2.9
457.20660	0.6
487.21707	0.6
503.24655	2.4
509.53738	0.3
531.24030	1.4
564.32336	0.3
571.30743	1.0
601.23871	3.8
601.31964	100.0
602.32202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88668	0.2
53.00986	0.2
55.05521	0.3
65.09828	0.2
67.05499	0.7
68.19442	0.2
69.07064	0.3
69.24760	1.5
69.25183	1.0
73.78604	0.3
77.77457	0.2
79.05474	0.3
81.03419	0.3
81.07062	0.5
83.01103	1.7
84.01872	0.4
85.02901	0.4
86.09676	0.2
91.05473	0.3
93.07039	0.5
95.01099	1.4
96.01860	0.7
97.02677	0.5
97.06548	0.4
98.21535	0.5
105.07008	0.3
107.08614	0.3
109.10158	0.5
119.08614	0.4
133.10197	0.3
139.03670	0.4
142.19934	0.2
156.03922	1.7
157.04727	0.5
183.02701	0.3
184.03412	3.0
185.04205	1.9
201.03703	3.6
203.05267	2.2
223.13081	0.5
241.06853	0.3
257.06354	0.4
258.07092	0.8
259.07901	2.8
269.13617	1.8
331.10083	2.4
345.11499	0.3
350.08139	0.4
359.13177	0.5
373.14850	0.6
387.16046	0.7
401.17908	0.5
417.17337	0.5
429.17560	0.4
431.18903	100.0
432.19189	1.0
457.20456	1.1
459.22333	3.0
471.21982	0.3
487.21622	3.6
503.20874	0.5
515.21307	0.3
533.21973	0.5
601.28900	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	601.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20690	0.5
55.05502	0.5
67.05470	1.9
67.70255	0.4
70.54633	0.9
75.49300	0.5
77.00903	0.6
79.05474	1.2
81.07028	1.3
82.19949	0.5
91.05444	0.9
93.07011	1.3
95.08601	1.3
103.02419	1.4
105.07023	1.1
107.08549	0.8
109.10113	0.6
113.00898	0.5
115.02400	1.1
115.03699	4.2
119.01862	0.8
119.08582	0.7
127.02443	0.8
131.01889	1.6
131.08626	0.6
133.03470	6.7
139.02388	1.1
143.01933	0.8
145.03430	2.2
149.02054	1.4
151.04477	1.4
156.04991	0.7
157.03456	2.1
161.02922	1.3
167.01901	2.3
169.03403	1.0
171.05005	1.7
175.04539	1.7
176.98251	0.6
182.98099	0.6
185.02985	3.7
187.04480	2.3
201.06091	4.6
217.05557	1.5
220.99669	0.5
230.99759	2.9
239.00748	2.6
241.05435	0.7
248.99132	2.1
249.00296	1.5
267.00198	2.2
281.01694	2.6
301.20105	25.8
302.86172	0.5
305.01654	1.9
317.19867	0.6
319.21140	3.3
323.03329	1.1
341.05081	13.7
342.22800	1.1
357.24033	1.0
359.05020	1.0
364.11481	0.7
375.25055	100.0
376.25467	1.1
461.27649	0.8
503.30026	1.5
513.23193	0.6
541.23016	5.4
565.23260	1.6
583.25061	4.9
601.25531	27.0
602.26025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.8
55.05521	3.2
56.05040	6.8
67.05505	2.2
68.05038	1.2
69.07071	10.3
69.69598	1.9
69.70017	3.0
70.02974	0.9
70.06591	0.9
79.05500	7.2
80.05020	7.9
81.03423	1.3
81.07057	12.6
82.06600	3.2
83.05039	0.8
83.08620	1.8
84.08148	2.4
85.04029	1.6
86.09711	100.0
91.05491	3.6
93.05786	2.6
93.07078	2.6
94.06591	2.9
95.04987	1.1
95.07346	0.8
95.08610	1.3
96.04489	0.8
96.08147	6.7
97.06528	2.0
97.08940	1.3
98.09698	30.8
98.21402	1.7
105.07077	1.1
106.06573	10.4
107.04991	1.4
107.08582	1.5
108.08126	24.8
110.09684	5.5
113.03555	1.0
117.07032	1.1
120.04527	1.3
120.08081	4.7
121.08917	2.4
122.09674	12.7
123.05589	1.9
124.11228	1.5
125.03525	1.4
126.09151	1.0
131.07402	1.5
132.08134	2.1
134.06050	1.6
134.09686	0.9
136.07584	7.6
140.04590	1.1
141.04240	0.8
141.10265	1.9
147.04434	1.4
148.07559	5.1
149.08398	2.4
149.10788	2.4
153.10281	1.7
154.15942	7.6
157.09773	3.7
157.55693	0.9
160.07578	6.3
164.14400	1.4
165.05511	1.0
165.10226	4.3
166.08655	1.7
166.11034	5.9
166.14557	1.4
166.15930	24.9
175.08722	1.0
176.07074	1.4
177.10336	1.6
181.09714	1.4
182.08144	1.7
184.07381	1.5
186.05608	0.8
188.07042	1.9
189.05507	1.3
190.05022	0.9
193.09746	12.1
193.17052	5.1
199.18124	3.3
203.08234	2.0
205.09808	1.3
206.08185	4.9
221.16510	18.4
222.12430	2.3
225.16101	2.2
227.17635	2.0
231.07697	3.2
233.16513	1.1
235.17912	1.1
239.10350	1.1
241.08365	0.8
243.15027	1.3
246.51302	1.0
249.08856	3.7
249.15964	6.1
257.16501	1.6
260.17712	3.6
261.15997	5.0
262.14368	1.3
266.11859	2.7
267.15033	0.9
278.18768	8.9
279.24463	3.7
283.14578	0.9
285.16092	1.6
286.78397	1.0
295.16672	3.5
299.13980	2.0
303.17090	4.6
306.18140	15.0
307.23865	2.2
317.15253	0.9
325.77548	0.9
329.15125	5.4
334.17990	1.0
345.14594	1.4
346.17636	5.6
352.18619	1.6
362.24542	1.3
363.22888	2.2
375.22784	5.1
390.16357	4.5
408.24478	0.9
431.19128	1.0
441.25412	1.1
442.23428	1.5
443.26529	1.1
458.23041	1.4
459.26105	26.1
475.25726	3.4
486.22272	6.7
487.25467	15.1
503.24979	10.0
529.33185	1.6
554.33545	1.2
555.31946	4.5
572.34454	42.0
582.33118	5.2
583.31787	2.3
600.34015	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.01877	1.7
55.05509	6.7
56.05023	0.7
56.96564	1.0
57.03443	1.2
57.07082	0.6
57.98810	0.7
58.06605	0.6
58.99586	16.0
59.07380	1.0
60.08160	2.0
67.05173	1.0
67.05505	10.0
69.03435	1.3
69.07069	7.1
71.05000	3.7
71.07384	1.0
71.27383	0.7
71.27721	0.7
73.02889	0.6
75.04488	1.0
76.02231	73.3
76.03991	2.8
79.05497	7.5
80.05020	0.8
81.07062	10.2
83.04983	5.1
83.06115	1.9
83.08614	3.5
84.04510	13.2
85.02917	4.5
85.06541	1.0
86.09702	7.4
86.82462	0.4
86.99053	3.4
88.02216	1.9
91.05488	6.2
93.07053	8.5
95.04969	1.8
95.08614	7.0
97.01155	1.0
97.02872	0.6
97.06518	2.5
97.10165	4.1
98.97580	1.2
98.98497	0.7
99.05577	0.9
102.05580	0.9
104.10751	1.2
105.07035	8.8
107.04939	2.6
107.08606	6.5
109.06532	4.7
109.10162	3.9
110.97569	0.7
111.04436	0.6
111.08072	1.1
114.03766	1.0
116.01685	19.7
117.07019	2.4
117.76677	0.5
119.08595	5.3
121.06507	4.5
121.10143	3.9
123.08066	1.7
123.11695	1.6
124.02225	0.6
125.00022	6.0
125.09644	2.6
129.05484	1.2
129.06636	1.8
130.04990	6.3
131.08562	5.9
133.06537	1.4
133.10136	6.6
135.08063	2.1
135.11702	2.1
137.01189	0.5
137.09627	0.7
141.04857	0.8
141.06985	0.7
142.03224	7.0
143.08569	1.5
144.01147	12.8
145.06198	1.5
145.10136	5.1
146.02725	1.0
147.08092	1.4
147.11681	4.8
149.09631	1.8
149.13255	1.2
151.11217	1.9
157.10109	1.5
159.08112	0.7
159.11694	3.2
161.09647	1.5
161.13283	1.6
162.02211	42.1
163.11183	1.8
163.84711	0.5
169.10109	0.8
170.02702	3.4
171.11746	1.0
172.55266	0.5
173.09633	1.1
173.13268	1.8
175.11247	1.1
175.14789	0.5
177.12697	1.2
179.04861	100.0
183.11758	0.9
184.07346	30.7
185.13333	0.9
187.05351	2.7
189.11198	2.3
189.12746	1.1
191.10750	0.6
191.14288	1.0
197.13208	0.7
197.19008	2.1
199.07263	0.5
201.12741	1.1
205.06540	0.5
207.13866	2.9
210.09042	0.6
215.04936	1.9
216.03119	0.5
219.01680	0.8
219.13823	1.6
227.05000	0.6
229.10593	0.6
229.19458	1.1
233.03633	0.5
233.05904	11.9
237.02876	0.9
239.17943	1.3
245.05891	3.1
247.20583	0.9
253.10999	0.8
257.18958	3.6
257.21201	1.4
272.07071	0.6
273.18475	3.4
275.20065	28.9
290.08005	0.8
291.06552	2.6
291.19608	3.0
293.21112	21.2
294.21405	0.6
308.09113	36.2
350.21567	1.0
351.19748	0.7
368.22519	12.1
373.16736	0.5
429.21597	0.8
453.24255	6.2
454.22971	0.5
471.25229	4.9
525.26282	4.2
582.27936	1.6
600.29156	13.4
601.28882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05737	0.4
51.24510	0.4
53.03934	0.7
55.01865	1.1
55.05513	3.2
56.05038	0.5
57.07078	0.5
57.57241	0.3
58.99582	1.0
65.03954	1.0
67.04291	0.4
67.05506	9.8
69.03410	0.7
69.07071	3.6
70.58945	1.4
71.04987	1.0
74.00671	2.4
76.02233	1.3
79.05064	0.8
79.05493	7.2
80.05022	1.2
81.03426	0.7
81.07059	17.1
82.06580	0.8
83.04984	1.2
83.06113	1.6
83.08625	1.4
84.04515	4.8
85.01118	0.9
85.02892	0.7
86.00652	1.0
86.99022	0.6
87.02657	0.4
88.02200	0.5
91.04969	0.7
91.05483	6.5
93.07047	8.7
94.06557	0.7
95.04985	1.9
95.08607	8.5
97.01122	2.3
97.02930	0.5
97.06529	1.6
97.10184	0.8
99.01448	3.1
99.02665	0.4
99.05571	0.9
100.02209	4.1
100.11265	0.4
105.07032	6.5
106.06558	0.7
107.04951	1.6
107.07396	0.4
107.08605	6.7
108.04542	0.5
108.08124	0.7
108.55524	0.4
109.06532	3.1
109.10158	3.1
110.09659	0.5
111.02670	0.9
112.02190	7.0
113.00581	0.6
113.02983	1.3
114.03741	6.7
114.04460	0.6
116.01692	2.4
117.07027	2.0
119.07275	0.4
119.08589	4.3
120.08119	0.9
120.15382	0.4
121.06548	0.9
121.10147	2.8
122.09645	0.6
123.02670	0.6
123.08073	1.0
123.11710	0.8
124.02117	0.4
125.04232	1.0
126.03738	2.1
127.02190	0.4
129.06654	1.7
130.05008	1.4
131.08577	3.6
133.10139	3.7
134.09622	0.8
135.08061	1.1
135.11693	1.7
136.03903	0.5
137.04251	0.5
137.09605	0.7
138.03743	2.4
139.02130	0.7
139.03214	0.5
139.05820	1.3
139.11148	0.4
140.01659	0.6
140.05283	4.8
142.03227	0.6
142.06793	0.4
143.02786	0.5
143.08578	0.7
145.06308	0.6
145.10126	2.2
147.07990	0.5
147.11678	3.4
148.11191	0.4
149.04185	0.6
149.09627	1.2
149.13263	1.5
151.05792	0.7
151.11137	0.5
152.05315	2.1
153.06546	0.6
154.06847	1.3
157.10170	0.9
159.11763	1.1
161.13287	0.7
162.02219	1.2
162.12875	0.5
163.11203	1.6
165.07307	0.6
165.12738	0.5
166.06801	0.8
168.08420	12.3
171.11690	0.6
173.13245	1.9
176.03673	0.4
177.12837	0.5
179.04932	1.2
179.08678	0.4
181.06097	0.5
185.03799	2.0
187.05351	0.6
187.11185	0.4
189.03310	0.5
191.08919	0.5
191.14302	0.7
193.06129	0.6
193.12308	0.7
196.11586	1.3
202.04100	1.1
203.12871	0.5
207.13808	0.6
208.13266	0.4
209.15402	1.2
215.04927	0.7
216.05643	2.1
222.14986	0.5
224.11060	3.9
225.09293	0.4
231.04366	3.3
233.05838	1.8
236.14592	1.0
241.06520	1.2
242.12108	7.5
245.06056	0.4
247.20584	0.5
255.07951	2.4
257.08032	0.4
257.18976	0.9
264.14157	4.9
265.12466	0.5
265.14984	0.6
269.09604	1.3
270.10352	4.5
271.11050	1.2
275.20078	5.9
281.14621	1.4
282.15222	23.1
293.21005	1.0
307.17148	0.6
308.09152	1.3
309.14114	0.5
323.16083	0.7
323.20682	0.6
333.18878	1.5
339.17361	0.5
344.14063	2.1
350.21466	10.0
351.19672	2.0
368.22537	11.0
378.20770	0.9
384.17130	9.0
385.17896	1.4
395.22287	0.5
446.86588	0.5
453.24200	100.0
454.24438	1.1
507.25638	0.5
525.26312	4.7
557.59326	0.4
582.28632	1.2
583.26923	0.6
600.20819	0.8
600.29645	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	599.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59879	2.4
53.03934	6.5
55.01867	21.5
55.05513	47.1
57.07066	6.3
59.04979	3.4
65.03938	6.2
67.05508	81.3
69.03422	7.4
69.07069	56.3
70.85345	4.1
70.85679	3.6
71.05000	3.6
79.05070	4.8
79.05495	58.3
79.05932	2.1
81.07060	100.0
83.04994	11.8
83.08623	24.2
85.06532	9.1
91.05484	53.7
93.07043	68.6
95.04968	6.6
95.08611	78.3
97.06532	31.4
97.10165	19.4
99.08064	4.5
105.07030	76.1
107.08589	51.4
109.06519	8.3
109.10158	48.4
111.08090	6.2
111.11702	2.6
115.05463	4.4
115.07639	2.8
117.07026	29.8
119.08584	63.1
121.06503	4.2
121.09322	3.9
121.10149	42.7
121.10956	5.2
123.08039	14.6
123.11715	14.3
125.09656	20.8
128.06210	6.3
129.07014	22.8
130.07813	3.9
131.08568	54.1
133.10130	49.0
135.08026	8.8
135.11694	24.0
137.09615	8.0
137.13231	4.4
139.11145	3.3
141.07001	9.3
142.07791	6.2
143.08562	30.7
144.09358	3.2
145.10129	58.5
147.08057	7.6
147.11687	28.9
149.09586	7.0
149.13260	10.3
151.07542	5.6
151.11119	3.8
153.06975	2.9
155.08530	19.2
155.10481	2.4
156.09360	7.5
157.10141	40.6
158.10884	4.1
159.08043	4.2
159.11702	44.3
161.09641	4.9
161.13263	14.8
163.11217	8.2
163.14810	6.6
164.15414	2.7
165.09091	13.5
165.20012	2.5
167.08533	7.6
167.10675	18.0
169.10094	22.0
171.11694	35.6
173.09665	5.3
173.13232	28.1
175.11145	4.8
175.14835	11.3
181.10152	11.6
181.12234	6.1
182.10785	3.1
183.11710	21.5
185.09686	3.6
185.13295	20.2
187.11177	3.8
187.14839	12.7
189.12808	7.6
191.14296	4.1
193.10149	5.0
195.11678	13.5
197.13258	22.6
199.11153	3.9
199.14888	16.4
201.16440	7.5
203.12717	5.8
203.14418	5.4
207.11821	5.2
207.13760	4.2
209.13289	8.3
211.14825	13.1
213.12827	2.6
213.16341	7.3
215.14288	3.0
215.17871	5.3
221.13358	5.5
221.15388	21.6
223.14859	4.7
225.16406	5.2
227.17909	4.9
231.17470	3.1
233.15331	11.7
235.14824	5.5
237.16418	6.3
239.18004	5.2
241.19507	6.2
249.16168	3.0
251.14398	3.4
251.17847	3.4
259.20599	5.0
263.17749	3.3
263.20361	3.5
271.20450	3.8
275.20218	4.4
277.21881	2.9
281.18976	2.7
283.20654	3.4
285.18494	3.2
285.21899	4.7
289.21667	5.5
291.23233	12.3
293.24881	2.5
297.21939	3.1
299.20081	5.6
299.23691	3.2
301.21768	4.3
303.23163	6.5
305.24759	3.4
311.19998	2.8
311.23669	3.1
313.21567	4.4
313.25153	2.7
315.23181	5.5
317.24820	3.6
323.23712	3.0
327.23074	3.5
329.24942	5.6
337.25311	4.6
341.24823	3.5
355.26117	3.4
365.24512	3.4
367.30115	3.7
369.27832	4.3
383.29199	3.2
397.30792	3.0
399.32562	21.3
405.31415	7.9
423.32516	16.4
437.34537	3.9
447.32684	4.7
455.35117	11.4
461.36612	4.5
475.37561	5.6
487.37857	81.2
497.36234	3.4
501.39575	5.7
517.40167	10.4
529.38995	4.0
535.41199	11.1
541.42596	4.4
549.43365	18.2
567.44025	29.6
571.46661	2.9
581.46002	59.7
599.38586	24.1
599.46881	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.41
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03946	3.4
55.01868	2.0
55.05500	9.0
57.07075	4.1
57.82671	1.7
59.05004	2.9
65.03920	2.6
66.16809	1.6
67.05503	15.6
69.03440	8.9
69.07069	13.0
69.21802	8.4
69.22226	7.2
71.04980	1.5
75.01692	1.8
77.03529	1.5
77.03945	1.9
79.05495	15.6
81.07066	19.8
83.04971	6.0
83.08640	5.4
85.06561	3.7
87.64801	1.8
91.05489	25.7
93.07050	41.0
95.04961	9.9
95.08620	18.4
97.06531	7.7
98.21597	2.8
103.05469	2.2
105.07038	32.9
107.04958	3.0
107.08604	27.3
109.06522	10.1
109.10146	11.0
111.08067	3.9
111.11745	2.1
115.05453	3.1
116.06297	2.0
117.07018	8.8
119.08593	34.7
121.06506	6.6
121.10153	46.8
123.08064	15.4
123.11724	6.6
125.09639	4.2
128.06241	4.3
129.07028	6.1
130.07797	4.3
131.08594	21.6
133.06554	2.3
133.10133	25.7
135.08086	11.2
135.11679	9.1
137.09641	7.4
139.11189	4.8
141.06999	4.6
142.07780	7.9
143.08553	14.5
144.09396	3.3
145.06526	2.8
145.10139	24.9
147.08054	12.8
147.11703	7.1
149.09654	18.7
149.13300	2.6
151.07568	15.9
155.08623	8.1
156.09354	8.0
157.10139	18.6
158.07228	1.8
159.08101	8.8
159.11719	17.1
161.09644	5.0
161.13315	7.2
163.11182	4.3
165.07091	2.4
165.09108	12.1
167.08578	4.0
167.10692	69.3
167.12122	3.9
168.09383	2.5
169.10115	14.2
170.10898	3.4
171.11678	16.0
172.12511	2.3
173.09641	5.6
173.13278	15.0
175.11235	4.0
175.14854	5.6
179.08652	2.9
181.10164	7.9
181.12260	6.5
182.10890	3.4
183.11687	9.5
185.09735	1.8
185.13257	10.9
187.11220	3.1
187.14870	6.6
189.12807	7.7
191.14331	4.6
193.10197	6.0
194.10899	3.7
195.11734	10.1
196.12405	2.0
197.09598	2.0
197.13318	11.3
199.11334	2.8
199.14941	6.9
201.12726	2.3
203.14377	6.3
206.10921	3.6
207.11729	5.6
207.13829	7.3
208.12521	2.9
209.09671	2.2
209.13411	9.2
209.15283	3.1
211.11227	2.2
211.14868	4.2
213.16400	4.3
215.14339	5.7
217.10278	2.2
217.12318	1.7
217.15970	1.9
219.11765	3.9
220.12550	3.0
221.13304	5.8
221.15442	27.5
222.13957	3.6
223.14764	3.3
225.12682	2.8
225.16396	2.7
231.11859	3.7
233.13297	4.2
233.15363	26.2
237.12737	2.5
237.16463	2.5
245.13254	2.3
246.14061	2.2
247.14842	3.6
247.17085	3.8
249.16656	2.3
253.19592	2.0
259.14929	2.2
261.16617	2.4
265.19656	1.8
267.17438	2.6
269.19101	3.1
272.15564	1.9
273.16171	2.2
273.18805	3.0
283.20587	2.1
286.19336	2.2
287.20242	3.0
295.20767	2.1
299.20148	5.5
311.20081	2.2
331.20590	1.8
344.04935	1.8
359.23889	2.3
365.24768	6.0
373.25342	3.1
377.25046	3.6
391.26184	3.2
419.29337	2.0
507.34195	1.7
563.39014	2.7
571.41614	3.6
581.39935	22.5
599.40973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05513	1.0
55.55576	0.5
56.96542	0.5
57.03450	0.8
59.04994	0.9
60.41745	0.5
61.02928	0.6
67.05508	3.0
69.03432	0.8
69.07066	1.3
71.04998	1.7
71.53870	0.6
79.05490	2.8
81.03421	2.1
81.07077	2.4
83.04996	1.0
83.08627	1.2
85.02918	1.4
85.06537	0.5
91.05469	2.9
93.07059	2.3
95.04988	1.1
95.08621	1.6
97.06535	1.7
105.07045	2.0
107.08586	1.1
109.02895	0.6
109.06496	0.7
109.10165	2.0
115.03720	0.7
117.07030	0.5
119.08595	1.3
121.10103	2.4
129.07039	1.3
131.08594	1.5
133.10139	0.8
142.59885	0.5
145.10172	0.9
147.11713	1.6
149.09622	1.8
163.04021	0.7
175.11230	1.0
193.12263	1.1
229.14473	0.7
233.11507	1.2
234.61392	0.7
251.60817	0.6
283.15164	17.1
339.17770	9.2
341.05093	1.1
373.23502	6.3
434.70609	0.5
513.40747	0.6
542.76630	0.6
581.22040	0.6
599.34076	100.0
600.33508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02798	1.2
53.03935	4.5
55.01869	9.5
55.05516	48.4
57.03439	16.1
57.07075	1.9
59.04998	5.9
61.02915	6.7
61.59862	1.4
62.59336	1.5
67.05511	100.0
69.03426	5.1
69.07069	9.8
69.97218	6.6
71.01356	3.5
71.04996	5.4
73.02922	5.2
75.04482	3.0
79.05494	26.7
81.03427	13.0
81.07064	32.4
81.20994	1.3
83.04987	10.5
83.08624	20.7
85.02909	24.3
85.06538	4.1
87.04490	8.2
91.03992	2.0
91.05486	16.5
93.07056	19.0
95.04978	7.6
95.08613	15.4
97.02872	7.2
97.06536	5.6
97.10181	37.3
103.03939	11.2
105.07030	7.3
107.04974	4.8
107.08610	19.7
109.02850	1.3
109.06490	3.5
109.10169	78.3
109.27209	1.3
111.04431	5.5
111.08076	3.9
117.07034	5.1
118.87389	1.4
119.08582	9.3
121.06583	1.5
121.10160	6.6
123.08064	2.8
125.05994	3.1
125.09636	44.1
128.76143	1.4
129.05492	1.8
131.08513	2.5
133.10141	3.8
135.08067	3.2
135.11723	7.6
136.38031	1.4
137.09631	4.9
141.94899	1.3
143.10661	7.1
145.10141	5.3
149.09563	2.0
153.12743	9.3
155.08652	1.6
155.10667	9.0
163.11201	17.8
173.09610	3.2
173.11751	34.6
181.12296	7.7
188.75319	1.5
189.11237	2.5
191.10657	6.4
193.12140	1.5
199.13336	7.6
209.11809	11.9
217.14403	8.4
227.12813	18.1
229.14378	72.3
239.09680	1.6
245.13783	4.1
257.13855	22.2
282.17200	1.6
283.15417	17.0
290.96246	1.5
301.16473	41.2
319.17493	11.4
377.02109	1.9
401.25156	2.7
598.40265	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	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01867	2.1
55.05514	1.8
55.38496	1.2
60.04525	17.5
61.02912	2.1
62.91166	1.2
64.70267	1.2
67.05502	3.2
69.03436	6.9
69.58654	5.6
69.59061	2.0
70.06586	2.5
71.04986	2.3
72.04532	1.7
79.05489	5.5
81.03424	17.1
81.07052	4.0
83.08600	1.6
85.02903	13.9
86.09702	3.8
91.05475	2.5
93.07061	2.4
95.04989	1.6
95.08597	3.2
97.02914	4.7
103.05462	3.0
105.01853	1.9
105.07053	2.4
107.04987	10.4
107.08576	1.8
109.02873	3.6
115.05402	6.2
117.07022	17.4
117.43864	1.5
120.08118	1.2
121.10155	2.5
123.04430	3.5
124.05239	2.4
127.03929	4.0
128.06226	1.3
129.07005	3.2
131.04912	1.6
131.08536	1.9
135.11713	1.7
142.84012	1.3
144.05635	2.0
145.05171	2.1
145.06493	31.8
155.06038	5.0
156.05693	6.5
157.06482	3.1
159.08089	4.5
161.05988	3.5
163.03949	1.8
167.07057	52.2
169.12306	2.5
173.06000	62.6
175.04128	1.4
175.07516	2.5
180.08673	8.6
184.05234	3.4
184.07326	8.0
187.07587	6.4
190.06267	33.5
191.07059	3.2
193.08638	2.1
202.06279	4.9
203.07042	6.6
205.08603	100.0
217.08611	45.5
217.10706	3.0
219.10123	4.2
223.09689	3.2
235.09669	33.8
247.09657	5.7
264.07858	1.6
265.08008	2.5
265.10739	42.9
269.08060	1.5
283.09232	1.4
314.26935	2.5
315.08685	4.5
323.12778	2.4
330.11017	7.9
331.11807	2.1
332.27783	6.5
339.12436	1.9
347.49753	1.5
350.29077	10.7
351.12320	4.1
371.14828	3.5
383.14838	12.7
401.16046	16.9
580.32849	2.6
598.34430	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	597.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05511	13.6
55.74438	0.9
55.90175	0.9
57.03201	0.8
57.03445	10.0
57.07066	2.7
61.02929	1.7
65.03958	0.9
67.05506	32.2
69.03421	1.8
69.07066	17.9
71.05002	11.0
73.02927	1.8
79.05501	11.1
81.03416	4.6
81.07055	32.1
83.04972	1.4
83.08618	9.5
84.98948	0.9
85.02904	12.7
85.06546	1.6
91.03946	1.8
91.05482	9.0
92.53754	0.8
93.07041	10.3
94.60796	1.1
95.04980	1.5
95.07989	1.3
95.08607	25.6
97.02896	2.6
97.06532	2.9
97.10162	4.6
98.98470	9.0
105.07034	5.3
107.08586	7.1
109.02880	2.8
109.10154	9.0
111.04428	1.2
111.08066	1.8
117.07060	1.2
119.08563	5.6
121.10131	6.3
123.08073	1.5
123.11661	4.3
125.09639	1.3
127.03958	1.5
128.06210	0.8
129.05460	2.1
131.08586	1.0
133.10121	5.8
135.11658	2.1
137.13245	1.4
143.08519	1.2
145.10109	2.7
147.11694	4.0
149.13264	1.2
155.01004	1.6
157.10172	1.0
161.13295	2.0
167.10725	2.2
169.75471	0.9
171.11676	1.3
173.13213	1.0
175.14815	2.4
181.10168	1.3
195.11722	0.9
233.15257	1.0
261.03726	4.0
261.22031	1.0
263.23807	1.7
267.09109	1.2
301.20041	7.5
319.21082	1.4
335.25739	1.9
337.27371	100.0
372.07434	0.9
377.01688	1.3
405.96844	1.0
431.90649	1.3
497.31467	4.7
524.21472	3.9
524.72040	1.6
537.29211	3.2
551.12335	8.0
552.12433	1.2
569.13196	1.9
579.37744	1.1
597.39264	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	597.1457
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.58688	0.2
56.96594	0.3
57.02563	0.2
57.03429	0.6
61.02928	1.1
65.05276	0.2
68.99795	0.5
69.03424	0.6
69.07041	0.2
70.06584	0.6
71.01350	0.3
71.04996	0.3
71.53853	0.2
72.08141	0.3
73.02921	9.4
74.02452	0.2
79.05535	0.2
81.03422	0.9
83.08615	0.3
84.04491	0.2
84.08198	0.2
85.02921	1.1
86.09690	0.2
87.04469	0.2
87.05591	0.4
93.03391	0.2
95.04971	0.4
97.02892	0.7
98.97578	0.4
109.02898	0.4
111.00803	0.8
115.03941	1.0
119.08570	0.2
120.79530	0.2
121.02864	0.8
127.03941	0.4
133.02864	0.2
133.06075	1.5
137.02350	2.5
137.03328	0.3
137.05940	0.2
147.04399	0.3
149.02356	0.3
153.01849	2.7
161.06044	0.3
163.03908	0.6
163.47089	0.2
165.01854	1.7
166.02658	0.4
167.07129	0.2
170.99551	0.2
173.05887	0.3
177.05536	0.3
183.02902	0.7
183.04379	0.2
187.04005	0.2
193.04973	0.8
193.12262	0.6
195.02856	0.4
201.05481	0.9
219.06473	0.3
229.04997	3.5
231.02966	0.3
236.56000	0.3
237.02913	0.3
247.06053	0.7
257.04465	2.7
267.16089	0.5
274.04764	0.8
275.05499	0.3
285.03983	1.3
285.17007	0.6
299.99170	0.2
303.05002	100.0
304.05325	0.6
315.05151	0.3
358.08337	0.2
369.06342	0.3
399.07257	0.2
417.15314	0.3
435.09085	0.4
451.12283	0.2
465.10349	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	597.1819
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.30779	2.8
54.48648	2.9
55.01868	5.3
55.12286	3.4
57.03425	6.5
65.03957	3.9
69.83846	12.9
81.03403	8.7
83.01305	3.8
85.02911	18.9
91.05442	4.5
93.03407	13.5
95.04939	5.7
97.02892	10.4
105.03426	6.4
107.04945	18.4
109.02908	15.0
109.06498	3.2
111.04438	4.9
119.04923	10.7
121.02884	29.8
121.06480	8.4
123.04405	10.8
131.04889	4.2
133.06465	5.3
135.04410	19.1
137.02287	4.0
139.03859	5.1
147.04434	26.3
149.02350	7.4
149.05934	4.8
151.03911	8.1
153.01810	6.0
157.06403	5.0
159.04431	10.9
161.02405	3.4
161.05945	8.2
163.03909	11.3
165.01869	13.6
173.02327	7.8
173.05977	9.7
175.03871	3.7
177.01842	22.2
177.05501	9.2
179.03354	3.7
187.03908	13.5
189.01852	28.3
189.05507	7.2
191.03439	19.5
195.02899	34.9
199.03952	3.3
199.61581	3.4
201.01781	6.4
201.05505	20.1
203.03403	19.1
205.01309	13.1
205.05038	6.5
207.02888	53.1
209.04430	4.8
213.05415	5.5
215.03381	14.6
215.06949	4.1
217.01300	3.6
217.05003	7.5
219.02913	92.5
221.00845	6.8
221.04489	8.6
223.02396	10.4
225.03923	12.6
227.03395	3.9
229.05019	21.0
231.02885	61.9
231.06438	5.7
233.04451	23.3
235.02261	3.6
237.03909	20.5
241.04807	3.4
243.02885	32.4
243.06506	6.2
244.66966	3.5
245.04443	8.0
249.03957	13.4
255.02843	15.2
257.04520	20.9
259.02423	5.6
261.03949	100.0
269.04398	9.2
271.05966	12.0
273.03909	56.4
275.05533	3.4
279.04968	5.2
281.04346	5.2
285.03967	58.9
291.05032	21.2
297.03900	19.6
297.07495	16.7
299.05606	10.6
303.04968	38.5
309.03766	7.0
309.07483	11.7
315.04910	7.5
321.06097	25.6
327.04941	47.1
327.08646	28.0
339.08279	38.5
345.06079	15.6
351.08722	24.8
357.05972	8.6
357.09750	6.7
363.07016	43.0
369.05646	6.5
375.07324	3.7
381.09726	39.0
387.07074	14.0
393.09506	31.7
404.35355	3.3
405.08347	45.2
411.10938	16.8
417.09726	5.6
423.10037	26.7
429.11832	38.5
441.11020	35.9
447.05637	4.4
447.10806	30.9
459.12814	44.0
465.11661	11.5
477.12048	9.2
483.13080	18.9
489.11642	4.4
495.12769	22.6
507.12604	5.9
525.13782	13.5
525.21057	3.8
543.15021	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	597.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01860	0.3
55.05499	0.3
56.08651	0.2
57.03443	2.3
59.04997	0.3
60.30555	0.3
61.02925	1.5
62.58636	0.2
65.08376	0.2
67.05494	0.2
68.99780	0.6
69.03435	7.0
70.06580	0.8
70.41117	0.9
70.41467	0.3
73.02908	1.0
75.04485	0.3
79.05476	0.4
81.03407	0.6
81.07082	0.3
84.04520	0.3
84.08163	0.3
85.02908	5.8
85.08530	0.3
86.09703	0.4
87.04473	3.9
91.03946	1.1
91.05489	0.8
93.03390	0.6
93.07050	0.4
95.04961	0.4
95.08607	0.4
97.02895	5.1
105.07016	0.4
106.04156	0.5
109.02876	0.7
111.00783	0.6
115.03173	0.4
115.03933	4.6
121.02838	0.8
121.06504	0.7
123.04443	0.5
125.05959	0.3
127.03923	0.9
133.04976	4.9
135.04466	0.3
137.02341	3.0
143.08588	0.3
145.02911	0.3
145.04959	0.7
145.06485	0.3
149.02321	0.4
149.05966	1.1
153.01831	3.3
161.05936	0.5
163.03894	0.6
163.96057	0.2
165.01797	1.5
167.07013	0.3
173.05907	0.4
177.05438	1.0
181.08566	0.3
183.02898	0.7
187.04025	0.3
191.07190	0.3
195.48892	0.3
201.05414	1.5
201.63835	0.2
209.08124	2.6
229.04933	3.8
247.06049	0.6
257.04474	2.5
274.04709	1.0
277.34467	0.3
285.03992	1.3
303.04999	100.0
304.05408	0.7
315.05017	0.7
345.06039	0.7
357.58792	0.3
369.06140	0.4
435.09311	0.4
447.09283	0.4
465.10287	1.3
511.24982	0.6
553.26489	0.9
597.25330	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	597.1455
Annotation	Peltatoside
Peak:m/z	Relative Intensity
51.58041	0.2
55.01880	0.3
57.03442	1.9
59.04973	0.4
61.02913	1.1
65.03938	0.3
68.99816	0.2
69.03431	7.2
70.06591	0.5
71.04983	0.4
71.11798	0.2
72.08157	0.3
73.02915	0.8
75.04485	0.3
79.05518	0.3
81.03410	0.7
81.07072	0.3
84.08161	0.6
85.02910	6.2
86.09683	0.4
87.04473	4.0
91.03954	0.9
91.05460	0.7
93.03407	0.5
93.07050	0.4
95.04955	0.4
96.94978	0.3
97.02898	5.0
98.97549	0.3
103.23176	0.2
106.04173	0.5
109.02866	0.4
111.00787	1.0
111.04437	0.3
115.03937	4.5
120.08073	0.3
121.02858	0.8
123.04427	0.4
127.03915	0.6
133.04973	4.5
137.02351	2.8
139.03911	0.3
145.04953	0.9
149.02347	0.3
149.06003	0.7
153.01836	3.5
161.05923	0.5
163.03922	0.5
165.01851	2.0
173.06007	0.3
175.80270	0.3
177.05533	0.5
183.02869	0.8
183.04347	0.3
192.04907	0.3
201.05489	1.6
209.08055	1.7
219.06593	0.4
229.04979	3.1
233.08199	0.3
243.20891	0.3
247.05998	0.4
257.04465	2.7
259.08212	0.3
274.04727	0.7
285.03979	1.3
287.05707	0.4
288.05817	0.6
303.05005	100.0
304.05307	0.8
315.04935	0.3
345.06094	0.6
349.19760	0.3
465.10297	1.4
511.25317	0.3
526.62250	0.3
553.25958	0.6
597.25177	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	596.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01706	2.4
53.03947	3.4
55.01874	6.7
55.05511	16.1
56.96567	3.8
57.03444	15.1
61.02929	11.1
67.05182	3.9
67.05512	39.6
69.03430	8.0
69.07070	24.4
70.27381	2.7
70.85934	7.7
71.04996	11.3
73.02906	5.4
79.05499	26.0
81.03421	12.4
81.07062	46.9
83.04971	11.6
83.08624	9.7
85.02895	20.9
85.06522	6.4
86.09714	10.4
91.05479	20.9
93.07047	31.3
95.04997	9.2
95.08644	14.9
97.02905	6.4
97.06537	63.2
97.10168	8.2
98.09702	32.7
98.97567	3.3
99.04447	3.1
105.07034	17.8
107.04960	5.9
107.08595	25.1
109.02900	5.3
109.06541	5.9
109.10180	16.2
111.04492	5.9
111.08073	4.9
116.10714	15.8
117.07023	8.7
119.08622	13.3
121.06526	6.3
121.10180	11.5
123.11716	2.4
125.00057	4.0
127.03882	6.6
127.45047	2.8
129.06990	5.0
131.08583	15.0
133.06500	3.7
133.10135	16.7
135.08101	3.6
135.11691	8.2
141.06978	3.9
145.10107	5.9
147.11679	12.4
149.09639	10.2
149.13292	15.9
157.10172	6.4
159.11700	16.3
161.13239	6.1
163.03934	3.6
163.11226	4.7
171.08002	3.3
173.11774	7.5
173.13263	3.9
177.12767	16.7
179.14317	4.6
184.07326	21.2
193.12253	3.6
195.13823	8.2
196.07249	4.5
196.17076	8.0
199.07550	5.0
201.05765	3.5
211.07605	3.3
214.18047	5.6
215.07108	3.5
217.05307	3.1
229.14268	14.9
237.09114	3.8
241.08704	14.0
241.12265	2.8
251.16277	3.5
252.09990	3.2
259.09662	6.8
269.17484	100.0
270.11075	7.0
275.20108	12.1
287.05539	4.8
288.05936	4.5
290.64169	2.9
293.11627	6.3
311.12830	11.9
326.23462	3.4
327.15836	3.2
337.14380	17.2
339.17889	5.9
343.15536	5.5
344.24350	3.4
349.23798	26.5
355.15570	15.7
367.24979	3.8
368.18353	29.0
381.26443	10.4
387.17969	6.7
413.21786	15.4
424.30545	10.1
431.22757	5.4
480.23880	6.2
546.69531	3.0
596.30029	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	596.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01868	8.0
55.05512	51.8
57.03437	23.1
57.07074	1.7
59.04991	4.4
61.02926	5.5
65.03941	2.6
67.05507	100.0
69.03404	4.2
69.07071	12.6
69.19447	9.0
69.19858	2.6
71.01349	3.0
71.04984	4.7
73.02914	3.4
75.04465	2.9
79.05018	1.4
79.05492	28.6
81.03423	15.2
81.07056	34.3
83.04988	12.8
83.08622	21.7
85.02913	25.2
85.06541	3.1
87.04463	11.4
91.03960	1.9
91.05479	13.5
93.06484	1.7
93.07040	16.5
95.04976	4.8
95.08067	1.5
95.08624	15.3
97.02882	8.6
97.06553	7.3
97.10172	37.0
99.04412	1.9
99.08060	1.3
103.03949	14.5
105.07033	6.0
107.04944	7.5
107.08589	19.6
109.02938	1.5
109.06506	2.1
109.10161	88.3
111.04444	4.8
111.08078	5.3
117.07049	2.3
119.08567	12.2
121.06509	2.4
121.10152	4.6
123.08070	3.8
125.09631	49.2
129.05463	1.6
131.08548	3.9
133.10149	2.0
133.35301	1.2
135.08037	1.9
135.11707	9.5
137.09624	4.4
142.61203	1.1
143.10657	8.7
145.10091	6.7
147.11679	1.8
149.09538	1.5
153.12746	12.0
155.10652	14.6
159.06580	1.9
163.11180	14.2
169.12234	1.2
173.09653	2.5
173.11737	33.4
181.12257	9.6
189.11224	2.6
191.10629	5.7
193.12238	2.9
199.13290	10.3
209.11714	13.1
211.13326	1.0
212.74184	1.5
213.05527	1.2
217.14319	7.1
227.12793	16.5
229.14363	76.5
245.13831	4.5
248.79999	1.3
257.13846	25.7
267.16043	1.4
283.15463	18.7
301.16458	50.8
304.19254	1.3
319.17593	12.8
322.97620	1.2
399.23813	3.4
542.86951	1.3
545.03522	1.4
561.29462	1.5
562.26886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
55.01876	12.7
55.05275	3.6
55.05517	51.1
57.03443	17.4
57.07076	3.2
59.04999	6.5
61.02927	6.5
65.03940	3.1
66.61703	2.4
67.05511	100.0
69.03426	12.8
69.07082	19.2
69.84450	5.6
69.84869	8.4
71.01339	4.6
71.04979	5.2
73.02892	3.3
75.04459	2.5
79.05502	44.1
81.03426	29.5
81.07058	44.5
82.61173	2.4
83.04982	18.5
83.08637	21.0
85.02917	32.4
85.06525	4.5
86.09691	3.2
87.04462	8.2
91.03969	2.2
91.05474	24.6
93.07046	23.2
95.05006	11.9
95.08630	23.2
96.63847	2.8
97.02927	19.2
97.06520	7.8
97.10169	32.6
98.21526	2.8
103.03943	12.2
105.07023	15.2
107.04306	2.6
107.04977	9.0
107.08627	19.6
109.06552	4.5
109.10165	77.2
111.04468	6.4
111.08094	5.0
115.05488	3.0
117.06990	4.8
119.08600	10.6
121.10141	10.1
123.08034	3.2
125.00002	2.4
125.09644	41.9
127.03928	5.0
129.07014	3.5
131.08580	3.8
133.10136	7.1
135.08063	3.0
135.11673	6.9
137.09608	5.1
143.10674	7.9
145.10146	9.6
147.11691	8.2
149.09644	4.3
151.28854	2.6
153.12802	5.9
155.10641	9.3
157.10092	6.6
163.03893	15.9
163.11223	16.5
167.10745	2.9
173.02420	3.2
173.09526	3.0
173.11758	42.3
175.11240	5.9
176.11926	3.1
181.12250	5.8
184.07300	14.6
187.03914	12.1
191.10721	6.7
193.12296	12.7
199.03958	3.2
199.13329	9.4
209.11772	15.9
211.13235	5.1
213.05473	4.8
217.14294	4.5
227.12788	18.2
229.14354	59.7
244.69833	2.6
245.13808	3.7
257.13852	45.4
267.16055	3.2
283.15372	12.6
299.15030	3.6
301.16434	36.6
319.17465	6.5
337.14334	16.4
355.15512	5.3
369.17035	16.4
372.19836	3.1
498.83759	3.4
596.31073	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	596.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.01863	2.2
55.05515	15.3
55.28118	1.6
56.30656	1.6
57.03428	5.0
57.07074	3.1
65.03951	3.4
67.05508	72.1
69.03429	2.4
69.07078	15.2
69.22324	3.0
69.22740	12.6
71.04984	2.6
73.02911	3.5
79.05499	45.3
81.03429	3.6
81.07060	85.1
83.08611	9.0
83.85199	1.6
85.02900	2.7
85.06535	3.7
91.05487	27.1
93.07047	62.1
95.04976	3.3
95.08609	67.7
97.02888	2.8
97.06528	4.9
97.10201	3.2
99.04457	3.0
99.08089	3.0
105.07031	21.8
107.08599	36.1
109.02872	6.2
109.10166	33.5
110.12090	1.5
111.04487	3.3
111.05493	1.8
111.08102	4.2
111.11739	2.0
113.09684	1.8
117.07017	8.2
119.08598	18.1
121.10144	35.6
121.10934	3.2
123.11706	15.7
125.09596	2.7
127.03921	3.7
131.08592	24.0
133.10158	12.9
135.11696	32.4
137.09627	2.8
137.13255	5.8
139.11209	2.4
140.64665	1.9
143.08563	1.9
145.10115	14.1
147.11719	13.0
149.13261	21.2
159.11688	16.1
161.13275	12.9
163.14818	15.8
163.99635	1.6
168.11932	1.5
173.13277	17.2
175.14842	4.6
177.12756	1.6
177.16409	6.4
179.14345	3.6
187.14833	9.7
191.00139	2.2
191.14473	2.2
201.16371	4.6
233.22720	4.1
243.21097	38.8
261.22159	100.0
263.23648	2.1
279.23138	5.7
317.24738	1.9
331.24066	1.8
335.25793	29.7
353.26877	50.5
451.21021	2.6
487.23642	2.4
561.27362	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	595.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01871	6.1
55.05518	20.0
57.03431	5.6
57.07079	18.6
57.63449	3.0
59.04994	4.9
59.56596	2.9
61.02921	3.8
67.05512	24.3
69.03425	19.7
69.07073	49.1
71.04990	9.0
71.08622	5.9
73.02910	3.6
79.05496	16.3
81.03425	15.3
81.06593	5.8
81.07059	100.0
83.04958	3.3
83.08619	26.6
85.02901	35.1
85.06554	11.9
86.09680	3.1
87.00836	16.2
91.05451	8.4
93.07050	27.2
95.04963	5.7
95.08608	69.3
97.02911	19.6
97.06544	32.4
97.10184	15.7
98.97626	4.0
99.04453	9.1
99.08090	11.1
105.01836	14.8
105.07037	7.5
107.04939	4.2
107.08569	31.4
109.02856	14.0
109.06496	4.0
109.10163	39.3
111.04457	4.5
111.08080	8.8
111.11715	11.8
117.03340	5.0
119.08589	6.9
121.10166	16.1
123.11727	24.7
125.13293	8.5
127.03933	24.7
129.07002	4.6
133.10123	4.7
135.04396	15.8
135.11702	9.4
137.13277	29.5
139.14879	3.4
145.02824	7.9
145.04950	9.5
147.04401	10.3
147.08061	3.9
147.11674	4.8
149.09412	3.2
149.13287	20.6
151.14815	9.1
153.01796	4.6
155.14326	27.3
159.02902	7.4
163.03900	60.3
163.14769	12.2
167.14317	8.5
173.02344	7.0
178.74963	3.2
184.07372	3.8
191.17943	4.0
205.19470	4.9
215.07021	10.5
219.21091	4.3
231.05054	8.4
249.06075	3.8
249.94226	3.1
259.09653	18.8
275.27347	19.3
281.28387	12.1
283.15189	3.9
287.05414	18.6
293.28387	62.7
301.16779	3.8
309.12289	3.2
311.29443	13.4
319.08237	6.7
330.58121	4.0
391.71777	3.4
415.14236	7.0
446.20590	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.05516	7.9
57.03445	6.6
64.07290	0.6
65.03944	1.0
67.05510	27.8
69.03470	0.7
69.06783	0.5
69.07074	6.3
71.45253	0.6
78.32126	0.5
79.05497	14.5
81.03414	4.1
81.07061	24.1
83.08646	2.9
85.02913	0.9
91.05493	6.4
93.06481	1.2
93.07047	17.1
95.04952	0.9
95.08615	18.5
97.06529	0.7
98.21140	4.3
98.98473	11.4
99.08114	0.6
105.04502	0.7
105.07037	5.2
107.08598	7.4
109.02885	3.0
109.10157	6.8
117.07027	1.8
119.08583	3.2
121.10155	6.2
123.11706	2.6
131.08582	2.4
133.10153	2.8
135.11671	3.6
137.13295	0.8
145.10130	2.1
147.11688	1.8
148.60289	0.7
149.13274	1.5
155.01019	1.5
159.11661	0.9
161.13290	1.2
163.05991	0.9
163.14854	0.7
173.13275	1.2
243.21100	1.4
261.03671	3.9
261.22299	3.7
297.86182	0.8
307.19394	0.6
317.24799	0.9
335.07471	1.2
335.25818	100.0
353.54886	0.6
438.22736	0.6
582.78717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01889	4.7
55.05518	21.2
57.03429	5.1
57.07072	15.2
57.41028	2.1
58.83292	1.9
61.02937	5.9
61.40230	1.9
67.05508	29.7
68.99794	2.8
69.03430	29.0
69.07070	53.8
70.93447	4.9
71.04979	7.7
71.08620	6.2
72.08153	2.0
73.02916	6.4
79.05500	13.3
81.03422	20.1
81.07060	100.0
83.04984	3.1
83.08625	30.0
85.02907	65.3
85.06557	12.6
87.00838	26.5
91.05489	5.9
93.07053	26.9
95.04982	3.8
95.08611	99.1
97.02903	22.2
97.06535	9.5
97.10182	18.9
98.97560	3.1
99.04478	8.4
99.08099	7.9
105.01869	31.3
105.07040	7.4
107.08594	20.1
109.02884	18.3
109.10161	67.7
111.04459	3.5
111.08084	4.8
111.11723	16.3
113.09657	2.4
117.01876	3.3
119.08601	5.4
121.10143	14.6
123.04435	2.8
123.11706	28.7
125.09708	2.4
125.13284	7.8
127.03922	44.9
127.11213	6.3
129.01820	3.8
129.12759	2.9
131.08612	3.5
133.10083	3.8
135.04425	3.4
135.11700	9.3
137.13234	18.4
139.14771	2.5
143.08661	3.6
143.14355	3.8
145.04965	12.9
145.10161	2.8
147.11678	4.6
149.13275	17.8
151.14828	29.8
153.12766	5.0
159.02911	8.3
159.08020	3.2
159.11787	2.6
161.13286	3.3
163.03934	9.3
163.14854	14.0
165.16411	7.0
169.15883	6.3
171.11763	3.4
173.13399	2.8
175.14778	2.7
177.16452	4.2
179.17964	6.8
183.17461	4.3
191.17987	6.6
193.19461	2.9
205.19409	2.8
219.21214	4.7
219.69328	2.0
231.05046	9.5
259.09628	4.5
263.27243	2.8
275.27280	13.7
281.28464	7.3
287.05603	12.4
291.26746	4.1
293.28409	29.9
311.29388	24.1
335.29504	2.1
371.29294	2.5
383.29355	4.2
401.30450	9.4
419.31625	3.5
487.30472	3.0
505.31989	4.6
523.32202	4.4
595.25769	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	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.73178	0.1
53.03940	0.3
55.05513	0.2
57.03436	1.3
61.02930	1.7
68.99447	0.1
68.99795	0.4
69.03420	0.4
69.50697	0.7
71.01336	0.2
71.05000	9.8
73.02918	0.6
75.04480	0.5
79.05497	0.2
81.03423	0.2
82.93803	0.1
83.04977	0.4
84.08155	0.2
85.02911	12.2
87.04454	0.3
91.03962	1.2
91.05484	0.3
97.02895	1.0
99.04465	0.2
100.51160	0.1
102.46806	0.1
105.03394	0.2
106.29827	0.1
107.04961	0.4
109.02888	0.3
111.00796	0.5
111.04437	0.4
121.02870	1.9
121.70264	0.1
127.03915	0.6
129.05482	3.2
133.02859	0.3
137.02313	0.4
145.04979	0.4
147.04420	0.3
147.06535	1.0
153.01842	2.6
157.06479	0.3
165.01845	1.5
167.07083	0.1
171.04457	0.2
176.75864	0.1
183.02919	0.7
185.05986	0.2
189.05464	0.3
213.05502	1.0
231.06526	0.6
241.04996	0.6
258.05231	0.9
259.06036	0.4
287.05515	100.0
288.05841	0.6
299.05576	0.4
311.28943	0.2
329.06564	0.4
353.06653	0.4
431.09564	0.2
449.10898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
51.06950	0.2
55.01875	0.3
55.05499	0.4
55.75338	0.2
57.03192	0.3
57.03442	2.2
57.64069	0.2
59.04990	0.2
61.02898	0.2
64.20316	0.2
67.05510	0.3
69.03423	0.3
70.06580	0.3
71.05000	17.5
73.02909	0.3
75.04482	0.8
79.05492	0.3
81.07076	0.4
83.04971	0.6
85.02911	18.8
85.06545	0.3
87.04473	0.5
93.07047	0.3
95.08575	0.3
97.02928	0.2
98.97618	0.4
99.04444	0.3
104.99012	0.2
105.03385	0.4
105.07037	0.3
107.04962	0.5
107.08591	0.5
109.06519	0.6
109.10165	0.4
111.00815	0.7
114.10488	0.2
114.20950	0.2
121.02896	2.0
121.10155	0.6
123.08054	0.5
123.11729	0.4
129.05486	5.2
133.10118	0.5
137.02336	0.8
145.06543	0.2
147.04393	0.3
147.06537	1.0
149.09644	0.3
153.01834	1.9
161.03046	0.3
165.01862	1.4
177.05482	0.4
181.04948	0.4
183.02904	0.7
191.14330	0.3
207.13954	0.4
209.15419	0.5
213.05522	0.9
225.09641	0.3
231.06549	0.3
241.04951	0.5
258.05283	0.7
259.06137	0.3
273.13284	0.2
287.05518	100.0
288.05765	0.4
291.14282	0.3
329.06583	0.5
397.09460	0.3
411.18756	1.0
412.18762	0.8
449.10852	17.0
471.20639	0.5
472.20761	0.6
473.21249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
51.34944	0.8
53.03939	1.1
55.01891	0.9
55.05505	2.2
57.03443	10.6
59.05011	1.5
61.02916	1.2
67.05509	1.2
69.03437	8.1
70.06588	0.9
70.79000	2.2
71.01356	1.7
71.04997	62.6
73.02927	10.0
75.04471	3.5
81.03430	1.1
83.04990	11.6
85.02911	71.2
85.39244	1.0
86.09714	1.6
87.04465	2.2
90.99210	0.7
95.04962	1.7
97.02879	1.0
97.06510	1.1
97.44668	0.9
99.04486	4.8
107.08598	0.8
109.02875	1.3
111.04443	7.0
113.06011	1.5
117.05474	7.7
127.03908	2.7
129.05484	22.0
137.02367	7.3
147.06534	5.6
153.01825	3.4
153.05489	3.3
159.06519	1.3
163.03957	1.3
163.06024	12.6
165.01859	1.8
171.06470	1.2
179.51707	0.9
180.82173	0.8
183.03003	1.2
187.03857	0.9
201.05560	1.8
201.07460	1.0
220.40540	0.9
229.05031	3.6
239.09155	2.8
257.04459	2.0
275.11273	1.6
287.05484	11.7
299.05652	2.2
302.04150	1.0
303.05008	100.0
315.04959	9.4
316.05835	1.9
327.04807	1.8
341.06601	2.0
345.06076	18.1
353.06595	1.3
367.07971	1.1
369.06039	5.6
395.07480	3.8
413.08661	10.7
413.75095	0.9
431.09760	6.8
449.10815	23.3
510.79218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01860	0.2
55.05482	0.2
57.03194	0.1
57.03441	1.6
61.02930	1.6
68.99799	0.4
69.03418	0.3
70.06862	0.4
71.04995	8.4
73.02918	0.6
73.15895	0.1
75.04471	0.4
79.05505	0.2
81.03407	0.3
83.04974	0.4
85.02908	11.6
87.04441	0.2
91.03944	0.9
92.71758	0.1
97.02886	0.9
99.04427	0.1
105.03390	0.1
107.04954	0.3
109.02881	0.4
111.00800	0.4
111.04418	0.3
121.02873	1.9
124.43837	0.1
127.03907	0.6
129.05486	3.2
133.02858	0.5
137.02347	0.6
141.00049	0.1
145.04990	0.4
145.06525	0.2
147.04422	0.4
147.06540	1.1
153.01826	2.9
157.06508	0.1
161.05952	0.1
165.01840	1.5
171.04436	0.2
177.05406	0.1
183.02917	0.7
185.05963	0.4
197.06087	0.1
203.07063	0.1
213.05444	0.9
231.06480	0.6
241.04962	0.8
248.48088	0.1
258.05328	0.8
259.06094	0.3
261.49014	0.1
269.04346	0.1
287.05499	100.0
288.05817	1.0
325.07199	0.1
329.06631	0.2
353.06351	0.2
449.05148	0.1
449.10437	0.6
469.19858	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	595.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01854	0.1
55.05511	0.2
57.02208	0.1
57.03440	1.4
57.34225	0.1
61.02914	0.4
65.89877	0.2
68.99786	0.3
69.03430	1.0
71.04997	8.9
71.07442	0.2
71.07761	0.2
73.02915	0.5
75.04464	0.3
75.93770	0.1
81.03398	0.4
83.04986	0.4
85.02908	12.7
87.04459	0.3
91.03953	0.2
97.02892	1.2
97.63287	0.1
99.04431	0.3
105.03425	0.2
109.02885	0.4
111.00802	0.5
111.04454	0.2
121.02876	1.8
127.03909	0.6
129.05472	3.1
133.02856	0.4
137.02347	0.5
145.04958	0.8
145.06546	0.2
147.04414	0.3
147.06483	0.8
148.28789	0.1
153.01842	2.8
165.01814	1.3
171.04427	0.2
171.56934	0.2
183.02853	0.7
185.05992	0.3
189.05446	0.2
213.05530	1.0
231.06595	0.7
241.04968	0.7
258.05270	1.0
259.05948	0.2
287.05499	100.0
288.05939	0.8
449.10797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
55.05516	18.2
57.03435	8.9
61.53683	1.3
67.05177	1.9
67.05508	25.2
69.03425	3.7
69.07063	9.1
69.64046	9.2
71.04980	5.5
75.63640	1.2
78.37296	1.7
79.05072	2.0
79.05499	28.5
81.03421	57.3
81.07054	22.9
83.04982	6.8
83.08624	15.7
83.29443	1.3
85.02909	3.5
85.06544	3.4
91.05473	19.3
93.07053	19.0
95.04971	24.2
95.08624	10.6
95.09146	2.0
97.02881	2.1
97.06517	5.0
97.10178	13.5
99.20950	1.3
105.07025	16.8
107.04966	14.0
107.08604	14.9
109.06530	11.3
109.10178	7.5
111.04420	2.7
111.08115	7.2
117.07050	6.7
119.08591	13.5
121.06521	11.7
121.10146	11.2
123.08087	4.1
123.11711	2.1
125.05978	1.6
125.09628	12.7
129.07018	9.0
131.08556	11.0
133.06482	5.8
133.10107	8.2
135.08064	6.7
135.11684	3.2
137.09682	1.9
141.07005	2.4
141.72934	1.3
142.07782	2.2
143.08554	3.0
145.06477	5.0
145.10115	6.3
147.07976	2.8
147.11650	8.1
149.09604	5.6
149.13300	1.7
153.09109	3.9
157.10124	6.4
159.08044	3.3
159.11705	2.5
161.09689	1.8
163.07460	1.3
163.11174	5.2
165.12749	2.2
169.10199	1.8
171.08156	1.7
171.10272	1.6
171.11710	2.0
173.09612	3.1
173.13226	2.4
175.11205	6.8
184.07355	2.4
185.13223	2.8
187.11122	2.1
189.09273	1.6
189.11224	6.5
189.12721	2.1
193.12260	15.7
197.13104	2.0
199.11183	1.7
201.12819	1.6
211.11209	1.6
213.12852	2.0
215.14273	2.7
219.13852	3.9
219.25932	1.4
223.13235	2.3
227.12665	3.5
231.13896	1.8
233.15413	4.8
235.13303	1.4
237.12714	2.9
241.19650	1.8
249.14861	1.6
255.13719	2.1
259.20514	3.3
261.14804	1.7
267.15924	40.3
273.14713	7.9
287.05536	1.7
293.17429	3.0
339.23203	3.1
349.21497	3.9
351.25302	3.6
357.23950	2.0
367.22729	18.0
385.18918	1.7
385.23773	33.1
403.24908	11.7
441.26596	9.8
453.32120	2.2
459.27423	100.0
477.28491	88.1
491.30081	13.8
509.31161	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	594.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
57.03432	0.2
60.60371	0.1
65.90914	0.1
66.94976	0.1
67.05512	0.8
69.07074	0.4
72.15560	0.1
79.05464	0.3
80.05052	0.2
81.07042	0.5
83.04986	0.2
83.08611	0.2
91.05489	0.7
93.07046	0.2
95.08608	0.5
97.63811	0.1
98.35966	0.1
98.98461	3.7
102.06428	0.1
105.07039	0.4
107.08596	0.3
109.10152	0.2
115.05440	0.2
117.05787	0.2
117.07015	0.5
118.06539	1.1
119.07342	0.8
119.08582	0.2
125.00006	12.6
128.06178	0.2
130.06520	0.2
132.08087	0.3
134.09654	13.3
144.08078	6.6
144.09227	0.2
145.08867	3.3
158.09665	0.1
160.11218	88.4
161.11574	0.3
178.12282	6.0
256.07324	0.2
258.08905	100.0
259.09161	0.3
332.12567	0.2
337.27347	0.2
387.97443	0.2
440.52097	0.1
576.34393	1.3
582.60028	0.1
594.25903	0.2
594.35510	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	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53937	1.2
53.03946	6.3
55.01872	5.4
55.05514	15.9
55.23161	1.3
56.96564	2.1
57.03433	5.7
57.07081	8.0
59.04992	1.4
65.03955	1.9
67.05511	32.0
68.99803	2.0
69.03433	21.7
69.07076	37.7
70.06608	2.3
71.04992	5.4
71.08631	3.3
71.53857	2.3
73.02917	5.1
73.06557	2.8
79.05498	19.9
81.03427	18.3
81.03879	2.1
81.07063	100.0
83.05000	3.2
83.08630	15.3
85.02911	50.9
85.06552	34.4
85.07074	1.7
86.06034	1.4
86.09756	1.6
87.00830	19.5
91.03965	1.7
91.05478	10.2
93.07049	42.2
95.04980	2.7
95.08613	70.3
97.02893	17.8
97.06538	12.0
97.10155	9.8
99.04451	7.6
99.08104	24.2
103.03979	1.9
105.01869	16.2
105.07042	15.8
105.13028	1.3
107.04961	1.7
107.08606	40.4
109.02882	15.1
109.06559	3.5
109.10168	44.8
111.04432	2.3
111.08071	8.9
111.11703	8.8
113.09677	5.1
117.07007	1.7
117.28105	1.3
119.08598	11.1
120.08121	1.7
121.06546	2.0
121.10159	32.7
123.04456	1.5
123.08109	2.1
123.11710	35.2
125.09639	4.8
125.13319	2.2
127.03926	23.8
127.11211	1.9
129.01825	2.3
129.12845	1.3
131.08604	5.2
133.10088	7.7
135.11694	21.5
137.06007	2.7
137.13255	15.1
139.03691	1.4
139.11192	7.1
141.12781	3.3
143.08511	1.4
145.04961	11.9
145.10132	4.1
147.11751	8.3
149.12064	1.9
149.13269	36.9
151.07607	1.6
151.11301	1.4
151.14864	5.7
153.01862	3.3
153.12764	8.8
155.08554	1.9
157.10094	2.0
159.02942	5.5
159.11650	2.3
161.13277	4.4
163.03976	2.5
163.11180	1.4
163.14838	16.4
165.12711	1.6
165.16467	1.4
167.14342	5.3
171.11671	1.6
173.13255	1.9
175.14844	2.4
177.05528	1.8
177.16403	17.2
181.16002	1.9
187.14845	2.4
189.16403	2.1
191.18005	5.2
195.17490	9.3
197.18953	1.9
203.18011	3.5
205.19553	3.4
209.19060	2.1
213.14635	14.7
213.18515	20.1
215.07066	3.1
217.19572	4.7
219.21234	1.5
227.20227	1.3
231.05092	4.9
235.20622	4.0
241.14143	5.5
253.21719	2.1
259.09738	1.5
261.25629	2.5
265.25293	2.3
269.17639	2.4
273.25809	8.2
279.26770	7.6
285.72568	1.5
291.26819	32.8
295.06259	2.2
297.27951	12.7
309.27899	45.0
313.03445	3.1
326.04126	1.6
327.29001	18.9
355.08191	4.7
357.19009	3.0
375.19937	5.5
381.27982	1.6
399.10925	5.0
399.28824	2.8
417.20834	4.4
419.11337	5.6
426.29544	1.7
431.13528	2.4
489.23108	3.1
503.29929	2.3
507.24167	19.8
549.16779	2.2
549.25220	41.9
593.24231	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.03432	0.7
57.07073	2.0
59.19439	0.6
61.73878	0.7
67.05470	0.9
69.03436	0.8
69.23698	5.6
73.06595	0.6
73.23390	0.6
81.07062	0.9
83.04989	5.1
85.02914	1.7
97.02905	1.1
101.06001	1.8
111.04456	4.3
127.03927	2.0
129.05487	0.8
136.01372	0.5
145.04945	1.3
176.20427	0.7
210.88837	0.8
211.09810	0.8
248.95265	0.6
313.27414	0.8
331.17239	0.8
349.24252	0.8
403.19174	2.4
404.20200	0.8
405.20706	1.4
415.19055	0.9
417.20859	2.5
418.21765	1.5
419.22449	2.5
431.18359	7.4
432.19351	2.1
433.24176	5.7
434.24670	1.4
445.19858	8.1
446.20810	4.1
447.21817	4.9
459.21490	4.0
460.22607	11.5
461.23389	11.0
473.23776	3.0
474.23984	0.8
476.25983	1.5
477.22134	0.7
487.24579	0.9
489.26276	0.9
491.24875	1.1
492.25299	1.0
505.22009	5.3
518.23151	0.8
533.25507	42.1
565.28125	1.1
593.27606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01866	4.3
55.05521	16.9
57.03423	5.0
57.07076	11.1
59.04990	3.8
67.05180	2.1
67.05508	20.2
67.37410	1.8
69.03429	14.1
69.07075	60.8
69.94296	1.8
70.97269	3.8
71.04987	5.2
71.08649	2.6
79.05486	14.4
81.03416	10.8
81.07062	100.0
83.04996	1.7
83.08632	18.3
85.02911	22.3
85.06554	14.4
87.00841	10.2
91.05477	5.8
93.07050	32.4
94.92972	1.9
95.04979	2.1
95.08614	78.7
97.02890	9.3
97.06512	8.9
97.10172	5.9
99.04455	5.0
99.08087	7.0
105.01863	7.4
105.07053	10.1
107.08606	29.7
107.50957	1.5
109.02905	9.7
109.10155	27.7
111.08099	17.8
111.11721	15.0
111.63625	1.6
118.53373	1.7
119.08588	6.7
121.10139	16.9
123.11715	39.4
124.11835	1.6
125.13268	4.0
127.03902	16.1
127.11185	6.6
133.10126	4.5
135.11745	10.7
137.13264	36.5
139.11150	3.2
145.04906	2.7
147.11682	5.3
149.09627	2.1
149.13277	32.7
151.14809	4.3
153.12735	23.4
155.14317	10.8
159.02904	2.9
161.13260	4.1
163.14835	8.6
167.14339	9.5
171.13821	6.4
173.15331	4.5
177.16360	4.3
187.06123	2.3
193.91585	1.7
205.19548	1.9
213.03882	2.3
223.20699	2.3
231.05049	3.2
273.25729	4.0
279.26749	11.5
285.07635	5.7
291.26859	26.3
297.27881	5.7
309.27917	43.1
315.29062	3.7
327.28958	14.2
345.30136	10.6
347.78903	1.8
417.30026	2.2
447.12811	4.4
500.83154	1.9
600.30768	2.1
616.94281	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	592.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.96568	0.2
67.05502	0.6
67.81478	0.1
69.70376	0.8
71.21712	0.1
79.05479	0.5
79.05922	0.1
80.05028	0.2
81.07043	0.6
83.04974	0.4
91.05485	0.5
93.07053	0.3
95.08609	0.5
98.98466	4.0
102.44823	0.1
105.07041	0.3
106.06574	0.1
107.08601	0.4
109.10159	0.3
115.05404	0.1
117.05765	0.4
117.07005	0.5
118.06539	1.4
119.07327	1.0
125.00003	12.5
128.85210	0.1
130.06496	0.4
132.08069	0.3
134.09653	13.9
144.08078	6.1
144.09238	0.2
145.08867	3.6
158.09613	0.1
160.11215	86.1
161.11548	0.4
178.12274	6.1
258.08902	100.0
259.09167	0.4
315.82541	0.2
332.12640	0.3
337.27289	0.5
565.07080	0.2
574.32819	1.2
592.33990	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	593.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79832	0.9
65.55557	1.0
66.87397	0.9
70.37269	3.4
94.93018	18.3
96.92844	1.5
97.02905	1.3
127.88358	1.0
140.62398	1.0
141.22090	1.0
188.93520	1.6
191.76675	0.9
206.94591	47.5
206.96564	2.3
209.80705	0.9
212.85112	1.7
214.85060	1.4
250.89374	4.0
250.93576	100.0
259.53497	1.1
268.93668	1.6
273.08237	2.5
310.94858	2.1
381.07874	4.4
593.05072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2768
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.41040	0.2
55.05509	1.0
57.07072	1.1
69.03423	0.6
69.36033	1.4
81.03426	0.3
83.04987	2.8
85.02911	1.0
95.82266	0.2
97.02900	0.5
101.06023	0.9
109.02906	0.3
111.04446	2.6
114.44050	0.2
127.03925	0.7
170.24832	0.2
195.10182	0.3
213.11270	0.4
231.12350	0.3
235.12398	0.4
245.10274	0.4
303.08508	0.2
313.16516	0.4
331.17422	0.3
387.16058	0.4
388.16895	0.5
389.17624	0.8
401.17715	0.3
402.18558	0.7
403.19241	2.7
404.20053	1.0
405.20651	1.7
415.19577	0.4
416.19968	0.7
417.16693	1.3
417.21548	3.3
418.22043	1.3
419.22406	3.7
421.24142	0.4
430.18060	0.9
430.22821	0.3
431.18176	8.1
432.18442	1.8
432.23709	0.7
433.24149	5.8
434.24811	1.2
443.18924	0.3
444.19162	0.4
445.19934	9.2
446.20862	4.5
447.21762	5.2
449.23636	0.6
459.21552	3.5
460.22623	9.7
461.23364	9.6
462.20316	0.3
463.21179	0.5
473.24051	1.6
474.24319	0.7
476.25732	0.6
477.23090	0.9
487.24930	0.7
489.26733	0.5
491.24979	1.0
492.25308	1.3
493.25986	0.3
505.22012	5.1
515.24371	0.5
518.22986	0.6
519.24005	0.8
533.25543	26.0
534.25946	0.5
547.27032	0.3
549.25360	0.3
561.24762	0.4
564.23761	0.9
565.28308	0.7
593.27588	100.0
594.27789	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77008	5.3
52.55101	4.5
53.03944	7.6
55.01861	8.3
55.05508	16.9
56.96565	7.4
57.03436	8.3
61.77423	4.3
65.03948	5.0
67.05509	38.6
69.03431	21.5
69.07071	19.9
70.06574	14.2
71.04988	10.8
71.54351	4.9
72.08173	5.7
72.89134	4.7
79.05500	44.4
81.03418	19.7
81.07060	65.8
82.07366	7.0
83.04983	10.9
83.08621	10.5
85.02902	26.8
85.06544	10.0
86.06055	11.1
86.09710	11.0
87.00852	7.7
88.07634	5.6
91.05483	74.6
93.07047	54.4
95.04966	17.0
95.08617	39.0
97.02881	13.9
97.06512	24.1
98.67377	5.0
98.97588	6.3
105.01849	10.5
105.07032	70.5
107.04979	5.7
107.08607	31.0
109.02895	8.0
109.06510	12.7
109.10148	12.7
111.08080	7.2
111.11806	5.3
115.05453	9.6
116.10732	24.9
117.07022	52.7
119.08590	53.4
121.06517	6.1
121.10162	19.0
123.08089	8.4
123.11708	7.3
125.06054	8.6
127.03920	20.3
129.05469	4.6
129.07021	18.3
130.07791	5.5
131.08585	75.5
133.10149	50.1
135.04446	4.7
135.08041	9.7
135.11676	17.6
137.05986	8.2
139.07561	8.1
143.08577	18.7
145.10143	76.4
147.11690	38.2
149.09676	5.2
149.13257	6.9
151.07565	14.6
151.11179	5.4
153.01750	5.7
155.08539	9.1
157.10136	18.9
159.11668	33.0
161.02371	6.0
161.09631	4.8
161.13274	9.3
161.92992	4.4
163.03932	6.4
169.10071	6.9
171.11716	14.5
173.02441	4.2
173.13318	8.8
181.10211	6.5
183.10135	6.6
183.11659	5.7
184.07309	8.3
185.13188	11.6
187.11140	5.0
187.14801	9.6
189.16341	7.7
195.11775	8.8
207.13821	5.6
211.14769	7.8
213.16418	35.2
225.09886	5.1
227.18027	6.4
229.19557	17.5
231.17496	8.2
237.16400	19.3
247.20531	11.9
249.06023	4.9
255.17479	15.4
259.09674	6.4
273.18588	27.7
291.19559	100.0
308.26151	7.9
309.20444	5.0
326.23431	5.1
326.27554	5.1
337.20102	4.4
344.24545	21.7
355.08072	5.6
592.29114	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	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	14.0
57.03452	9.8
57.07081	37.9
67.05510	56.8
69.07066	15.6
69.32641	17.3
71.08642	28.4
79.05501	29.8
81.07062	57.3
83.08630	11.7
85.06539	2.2
85.10197	11.1
91.05490	19.2
93.07049	37.1
95.04958	3.0
95.08612	55.1
97.06515	2.7
97.10185	4.0
99.08140	1.9
105.07042	13.9
107.08605	23.8
109.10162	22.2
112.17198	2.1
117.07039	7.0
119.08619	9.7
121.10164	23.5
123.11710	11.3
131.08569	12.2
133.10123	11.0
135.11697	15.3
137.13258	5.5
145.10086	7.8
147.11685	6.7
149.13304	9.6
159.11665	6.6
161.13271	4.4
163.14827	4.8
173.13326	5.3
175.14883	3.8
177.16248	3.1
187.14798	4.2
191.14366	2.1
243.21127	11.6
257.24860	2.0
261.22147	52.2
279.23300	2.6
313.27380	100.0
317.24869	12.1
335.25839	63.6
435.74045	2.4
494.21246	2.3
499.45096	2.4
573.48834	22.5
591.49554	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	592.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77008	5.3
52.55101	4.5
53.03944	7.6
55.01861	8.3
55.05508	16.9
56.96565	7.4
57.03436	8.3
61.77423	4.3
65.03948	5.0
67.05509	38.6
69.03431	21.5
69.07071	19.9
70.06574	14.2
71.04988	10.8
71.54351	4.9
72.08173	5.7
72.89134	4.7
79.05500	44.4
81.03418	19.7
81.07060	65.8
82.07366	7.0
83.04983	10.9
83.08621	10.5
85.02902	26.8
85.06544	10.0
86.06055	11.1
86.09710	11.0
87.00852	7.7
88.07634	5.6
91.05483	74.6
93.07047	54.4
95.04966	17.0
95.08617	39.0
97.02881	13.9
97.06512	24.1
98.67377	5.0
98.97588	6.3
105.01849	10.5
105.07032	70.5
107.04979	5.7
107.08607	31.0
109.02895	8.0
109.06510	12.7
109.10148	12.7
111.08080	7.2
111.11806	5.3
115.05453	9.6
116.10732	24.9
117.07022	52.7
119.08590	53.4
121.06517	6.1
121.10162	19.0
123.08089	8.4
123.11708	7.3
125.06054	8.6
127.03920	20.3
129.05469	4.6
129.07021	18.3
130.07791	5.5
131.08585	75.5
133.10149	50.1
135.04446	4.7
135.08041	9.7
135.11676	17.6
137.05986	8.2
139.07561	8.1
143.08577	18.7
145.10143	76.4
147.11690	38.2
149.09676	5.2
149.13257	6.9
151.07565	14.6
151.11179	5.4
153.01750	5.7
155.08539	9.1
157.10136	18.9
159.11668	33.0
161.02371	6.0
161.09631	4.8
161.13274	9.3
161.92992	4.4
163.03932	6.4
169.10071	6.9
171.11716	14.5
173.02441	4.2
173.13318	8.8
181.10211	6.5
183.10135	6.6
183.11659	5.7
184.07309	8.3
185.13188	11.6
187.11140	5.0
187.14801	9.6
189.16341	7.7
195.11775	8.8
207.13821	5.6
211.14769	7.8
213.16418	35.2
225.09886	5.1
227.18027	6.4
229.19557	17.5
231.17496	8.2
237.16400	19.3
247.20531	11.9
249.06023	4.9
255.17479	15.4
259.09674	6.4
273.18588	27.7
291.19559	100.0
308.26151	7.9
309.20444	5.0
326.23431	5.1
326.27554	5.1
337.20102	4.4
344.24545	21.7
355.08072	5.6
592.29114	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	591.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01857	2.6
55.05517	14.9
55.69142	1.1
57.03430	4.1
57.07065	4.3
59.04998	2.6
59.15849	1.1
59.44267	1.0
61.02906	1.9
67.05515	15.3
68.99813	1.1
69.03435	10.4
69.07072	100.0
69.20499	7.7
69.20901	2.9
69.29923	1.1
70.06573	1.3
71.04980	3.1
73.02904	3.1
79.05489	8.1
81.03413	8.1
81.07060	62.9
83.04971	4.6
83.08624	9.6
85.02435	1.7
85.02909	19.0
85.06545	8.3
87.00824	7.6
91.05480	5.0
93.07054	16.1
95.04958	3.4
95.08611	45.4
97.02899	8.4
97.06544	10.3
97.10106	2.3
98.21535	2.2
99.04435	3.9
99.08097	5.0
101.06052	1.7
105.01869	6.1
105.07021	9.6
107.08600	16.7
109.02874	9.8
109.06516	2.2
109.10163	21.7
111.08092	7.4
111.11724	31.4
117.01910	1.1
117.07065	1.7
119.08579	8.9
121.10149	14.3
123.08060	1.4
123.11707	27.0
125.09645	2.3
127.03933	12.3
127.11195	7.4
128.75301	1.2
129.12758	1.8
131.08560	2.5
133.10106	4.9
135.08051	1.7
135.11670	9.1
137.13239	9.3
139.11177	25.0
145.04961	3.8
145.10130	3.1
147.08157	1.1
147.11678	7.4
149.13266	6.2
151.11205	1.6
151.14810	7.1
153.12738	14.3
157.12225	9.7
159.02888	3.1
159.11691	3.2
161.13289	4.7
163.03929	1.8
163.11176	2.2
163.14828	3.2
165.08951	1.3
165.12733	8.6
169.15767	1.3
171.13838	2.6
173.13274	1.9
175.14856	2.1
179.14268	1.1
191.17815	1.6
195.26250	1.2
201.16394	1.4
215.18056	1.7
219.17502	1.5
231.04913	2.4
237.18463	3.5
237.22150	1.5
244.15640	1.3
251.20015	1.3
258.08862	1.8
259.09439	4.1
263.23703	4.0
277.25250	2.7
281.24802	2.0
287.05569	3.9
289.25305	12.1
295.26303	14.9
307.26331	60.3
325.27383	51.1
343.28482	11.0
354.63168	1.3
399.66678	1.1
415.28113	1.8
445.11792	1.1
480.01196	1.3
512.68091	1.2
517.66351	1.2
519.29651	1.3
537.30933	1.5
555.31396	3.2
573.32355	1.6
591.24475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
53.50308	1.2
55.01870	3.1
55.05516	16.3
57.03431	4.4
57.07066	5.9
59.05002	3.0
61.02929	1.7
66.50678	1.2
67.05508	16.5
69.03440	13.4
69.07072	100.0
69.61301	8.1
71.04978	5.4
71.08630	6.7
73.02902	2.7
79.05495	7.4
81.03417	11.0
81.06598	3.1
81.07063	53.3
82.07394	1.3
83.04980	7.6
83.08613	12.3
84.05311	1.7
85.02419	2.0
85.02905	16.0
85.06548	7.2
86.06081	13.0
86.09702	2.1
87.00837	8.5
87.06420	3.0
91.05499	7.2
93.07056	17.5
95.04962	5.2
95.08619	30.6
96.08142	3.5
97.02909	7.3
97.06530	10.1
97.10166	2.5
98.09709	8.6
98.21490	2.8
98.97564	1.6
99.04448	4.6
99.08095	7.8
101.06030	4.9
105.01861	6.0
105.07043	10.3
107.08585	16.2
108.08150	1.8
109.02893	8.6
109.06509	3.6
109.10167	30.3
111.04450	5.6
111.08104	4.0
111.11729	26.4
111.74857	1.4
113.06004	1.5
116.10749	20.8
117.07020	2.2
117.11090	4.0
119.08588	9.8
121.10151	12.9
123.08083	2.4
123.10836	2.3
123.11713	34.0
125.09643	2.2
127.03925	10.9
127.11163	6.7
129.05409	1.5
129.12738	3.2
131.08577	3.7
133.10161	4.8
135.07982	1.6
135.11687	9.2
137.06047	1.4
137.09631	3.8
137.13283	7.3
139.11191	21.8
142.08656	10.5
142.12224	2.2
143.09009	2.4
143.10698	4.1
145.04973	2.0
145.10130	4.2
147.11694	5.6
149.13274	7.0
151.11220	2.1
151.14848	4.7
153.12720	8.1
155.07059	2.1
155.10699	2.0
157.12225	5.3
159.02893	1.5
159.11685	5.1
161.13280	4.9
163.03896	2.8
163.11179	1.6
163.14777	2.1
164.10704	4.3
165.12730	4.7
167.14262	3.3
171.13811	2.1
173.13191	2.8
177.12775	2.5
179.14287	5.1
181.14178	1.5
182.15396	4.9
183.13834	2.0
199.15297	1.4
201.16476	1.5
208.13351	4.8
209.13699	3.7
214.18024	3.4
215.18156	2.9
226.14386	22.7
227.14720	17.5
231.05074	2.1
237.18553	4.5
244.15465	74.2
245.15797	55.7
258.09079	1.3
259.09653	3.1
263.23709	1.8
277.25354	2.9
289.25320	9.6
295.26355	31.0
307.26346	65.5
324.34027	1.2
325.21942	2.6
325.27402	22.5
342.22687	7.4
343.23065	17.0
343.28403	4.5
397.08954	1.4
433.29431	1.7
492.20334	1.8
493.21115	16.1
517.52637	1.4
537.30725	1.8
591.27960	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	591.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
55.05513	5.6
55.78239	2.1
57.03435	3.1
61.02920	2.3
67.05512	15.3
69.03435	17.1
69.07057	8.9
71.62069	1.9
79.05508	2.9
80.92059	1.9
81.03415	8.1
81.07039	10.8
83.04978	7.4
83.08620	5.3
83.52556	2.2
85.02911	16.0
85.06538	3.4
86.09695	3.7
87.00822	4.7
91.05487	6.8
93.07020	6.1
95.04945	3.6
95.08616	20.6
97.02911	14.7
99.04460	3.0
99.08134	2.0
105.01879	8.8
105.07010	6.1
107.04943	3.6
107.08591	16.3
109.02832	3.8
109.06530	4.8
109.10162	68.9
111.08083	4.3
119.08597	28.5
121.10166	9.8
123.08095	9.9
123.11738	6.1
127.03941	9.9
133.10133	17.2
135.11700	78.9
137.09668	12.4
145.05003	2.4
149.13271	4.3
151.11166	7.1
151.14844	6.9
157.09999	2.0
161.11188	2.0
165.16484	2.7
175.14839	33.6
185.79803	2.1
193.15892	56.8
193.17680	2.7
211.16937	100.0
221.91623	2.2
231.04948	2.4
267.15854	4.4
356.42773	2.2
490.09113	2.3
547.24280	2.8
591.24207	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	591.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.2
55.01867	9.0
55.05513	13.2
56.96570	2.4
57.03439	25.6
59.94251	2.1
61.02929	70.0
62.37087	2.2
67.05506	21.7
69.03432	31.6
69.07072	4.5
69.39340	5.3
69.39745	11.8
70.06579	4.1
71.01353	5.7
71.04983	8.0
73.02922	27.1
79.05489	22.1
81.03424	88.4
81.07063	17.7
83.04970	11.3
83.08640	13.0
83.60654	2.0
84.08138	4.0
85.02911	100.0
86.09735	5.6
87.04475	5.7
91.03957	48.1
91.05486	19.1
93.07072	18.4
95.01378	3.4
95.04969	57.4
95.08618	9.0
97.02897	73.1
97.06537	4.6
97.10201	5.1
98.97582	3.3
99.04485	11.6
101.02387	9.1
103.03949	15.5
105.07051	17.8
107.04967	15.8
107.08601	12.0
109.00961	2.5
109.02896	18.0
109.06517	5.9
109.10154	3.9
111.04479	7.6
111.08077	6.1
115.03929	7.5
117.05505	3.2
117.07034	8.9
119.04934	3.7
119.08582	14.3
121.02908	4.0
121.06506	8.4
121.10148	9.3
123.04446	26.3
123.08099	2.4
123.17287	2.2
125.09642	4.6
127.03931	29.1
129.07002	9.0
131.04883	5.3
131.08571	11.3
133.06464	7.2
133.10104	4.5
135.04410	2.5
135.08084	5.1
135.11685	4.9
137.05949	6.1
143.08488	3.0
145.04964	19.9
145.06468	5.2
145.10152	7.6
147.04404	11.3
147.08041	5.5
147.11696	6.6
149.05998	4.3
149.09586	3.1
157.06540	2.4
157.10153	9.2
161.06004	4.5
161.09602	4.3
163.03949	2.7
163.06046	6.8
163.11168	13.5
171.11765	3.4
173.09583	5.7
175.11195	7.7
181.12227	2.6
183.06529	9.6
185.09607	2.5
187.11238	3.7
189.05481	5.0
189.12781	6.1
193.12250	24.7
201.05553	2.5
201.07565	4.5
205.12253	5.5
207.13809	6.5
211.13260	13.9
213.12804	2.2
215.07138	3.0
217.12123	4.1
223.13272	3.7
235.13263	50.3
245.15439	2.4
247.13324	3.8
249.14914	9.2
253.14339	10.2
259.13333	19.4
267.15924	44.9
273.14865	22.7
277.14371	11.1
283.13324	6.9
285.16959	6.1
289.14404	4.9
291.15881	3.5
301.14389	30.6
307.15283	3.4
309.16953	51.7
315.15842	2.8
319.15482	12.4
324.11496	3.2
325.11371	3.2
333.17020	6.2
337.16464	8.4
349.63580	2.7
351.17868	12.7
363.18036	5.8
375.18018	36.0
393.19031	25.3
411.20380	25.2
417.19220	5.0
429.21289	10.9
435.20004	3.8
453.21185	4.0
519.22369	4.2
591.26544	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	590.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.05318	1.4
55.05521	14.3
56.96554	2.4
57.03442	2.1
57.07071	6.1
59.05003	1.5
61.02939	2.2
65.03936	2.4
67.05508	26.3
69.03440	5.8
69.07070	23.9
70.21452	1.5
71.04996	19.7
71.53328	1.4
73.02924	2.4
73.06539	2.8
79.05498	26.4
81.03420	6.4
81.07060	100.0
83.04981	3.1
83.08601	9.1
84.12936	1.8
85.02902	13.8
86.09711	2.7
87.00842	5.1
91.05493	16.3
93.07053	61.9
95.04957	2.3
95.08612	46.9
97.02882	5.8
97.06538	3.6
97.10178	8.5
99.04450	2.1
99.08110	2.6
104.10828	1.7
105.01850	9.0
105.07040	32.6
107.08604	62.7
109.02847	3.2
109.10164	78.7
111.11746	3.6
117.06991	2.9
119.08579	32.8
121.10152	56.2
123.08189	2.1
123.11728	17.4
125.09637	3.6
127.03905	8.3
127.11201	49.2
127.12157	2.6
131.08591	8.4
133.10135	27.1
135.11707	30.0
137.13258	5.8
139.11137	5.3
143.10686	11.7
145.05008	2.6
145.10126	10.2
147.11707	27.2
149.13272	49.7
151.14853	2.3
153.12724	10.2
159.11682	13.0
161.13268	16.0
163.03975	2.2
163.14821	12.4
173.13257	14.5
175.14832	9.5
177.16437	5.3
179.14369	2.5
184.07368	5.0
187.14827	17.2
189.16310	7.5
191.17940	10.7
193.15877	4.9
201.16399	10.3
203.16080	2.4
203.17975	37.5
205.19652	3.3
207.17397	2.5
215.18036	7.8
217.19516	5.2
219.17604	1.9
229.19562	2.5
245.07211	1.6
249.06038	2.2
271.24210	24.8
273.39850	1.6
289.25226	18.4
307.26193	2.4
542.22235	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98454	0.8
53.03941	2.9
55.01876	4.9
55.05511	11.4
56.96577	1.3
57.03441	4.7
61.02920	1.6
65.03938	1.3
67.05510	16.7
69.03431	13.1
69.07072	12.0
70.20766	1.9
70.21139	1.3
70.32690	0.8
71.04985	2.7
73.02932	6.9
79.05501	13.0
81.03423	9.6
81.07059	15.9
83.01316	0.9
83.04996	4.4
83.08625	5.3
85.02917	7.4
85.06501	1.1
86.09692	0.9
91.05480	15.3
93.07047	11.9
95.04984	5.6
95.08617	6.6
97.02900	6.5
97.06519	2.2
97.10172	6.5
98.97556	0.8
99.04488	4.5
103.69832	0.9
105.07032	8.9
107.04956	4.5
107.08598	10.3
109.02882	12.5
109.06507	2.8
109.10172	5.6
110.03668	1.2
111.04446	8.1
111.08107	1.5
117.07027	5.1
117.29076	0.8
119.08575	9.7
121.06489	2.7
121.10127	4.3
123.08076	3.2
123.11703	1.6
125.09609	6.3
127.03928	5.5
129.07019	2.8
131.08556	7.1
132.99533	3.6
133.06505	1.5
133.10114	6.1
135.08063	2.5
135.11690	2.0
137.05925	0.9
137.09630	1.1
141.07028	1.0
143.08524	2.5
145.10121	4.2
147.08040	4.5
147.11690	2.4
149.09621	2.5
149.13289	1.3
151.00642	0.9
151.11177	0.9
155.08441	1.0
157.10127	3.1
159.08104	1.3
159.11690	3.6
161.09615	3.3
163.11197	1.7
165.09096	1.5
169.12268	1.1
171.10202	1.1
171.11633	1.6
173.09625	1.2
175.11194	2.0
184.07336	1.0
185.13303	1.0
189.11195	5.3
191.00099	3.3
193.12277	1.8
205.12108	0.9
209.01125	0.8
223.13274	13.3
227.12773	2.8
245.19185	1.2
249.14935	1.0
255.17479	1.0
263.20129	1.3
265.03915	1.4
273.18484	16.3
273.21259	1.3
291.19543	100.0
309.20697	1.5
347.22189	9.0
365.23233	21.7
488.46820	0.9
573.23877	7.2
573.33075	1.2
591.24713	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	590.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05517	5.5
57.03432	4.9
57.07061	0.9
67.05509	24.1
69.07076	4.8
71.04990	1.2
71.37735	0.9
71.55162	1.5
72.37833	0.7
73.80766	0.7
78.19923	0.7
79.05496	12.2
81.07059	17.5
83.08618	2.2
88.54700	0.8
91.05478	6.0
93.07048	11.1
95.08612	14.9
97.06534	3.1
99.08125	0.7
104.80595	0.7
105.07042	3.2
107.07926	1.1
107.08577	4.8
109.06558	0.9
109.10166	6.7
112.34678	0.8
117.07053	1.4
119.08547	1.8
121.10155	4.8
123.11710	1.5
124.01591	0.8
125.00047	1.0
131.08586	1.4
133.10097	1.8
135.11736	1.9
138.09128	1.0
142.02661	2.9
145.10153	1.7
147.11662	0.9
149.13365	0.9
159.11716	1.0
161.13330	0.8
184.07344	2.3
185.07735	0.9
258.08942	2.2
270.32825	0.9
304.26337	1.0
327.29416	0.9
335.25815	100.0
396.97626	0.8
458.26993	0.8
468.48267	0.8
614.36810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85493	0.3
53.03942	0.9
53.27632	0.4
55.01867	0.5
55.05512	3.7
56.96547	0.4
57.03415	0.7
60.57654	0.3
61.61382	0.3
67.05495	1.2
68.99787	0.5
69.03444	3.1
69.07069	2.0
70.06586	0.8
71.04990	0.7
71.08639	2.5
72.08148	1.0
73.02907	0.9
79.05481	1.1
81.03420	4.1
81.07070	2.1
83.04987	3.8
83.07349	0.3
83.08623	0.4
84.08157	0.5
84.08978	0.3
85.02908	4.3
85.06539	0.4
86.06072	14.1
87.00826	1.9
91.05462	1.6
93.07045	1.3
94.06551	0.4
95.04955	0.6
95.08606	1.5
96.08133	3.5
97.02900	2.2
97.06532	0.6
98.06058	0.7
98.09695	8.5
99.04452	1.1
99.08109	1.8
101.06029	2.9
105.01869	0.7
105.07033	2.5
107.08588	1.1
108.08110	1.3
109.02903	3.0
109.10131	0.9
111.04452	5.3
114.09174	0.4
116.10738	21.2
117.01849	0.5
117.07024	0.5
119.08585	5.2
121.08855	0.6
121.10157	0.9
122.09636	0.9
123.08096	0.4
124.07583	1.1
127.03927	5.0
129.05486	1.1
131.08528	0.4
133.10175	1.6
134.09654	1.0
136.07506	0.4
137.09599	0.9
138.09122	0.5
139.11128	0.4
142.08643	9.3
142.12273	1.8
143.10698	4.0
143.51059	0.3
145.04955	0.9
145.10107	0.4
146.09666	0.3
147.11638	0.9
152.07036	0.4
155.07080	1.6
159.02898	1.0
160.11230	2.5
162.12756	1.0
163.03845	0.4
164.10721	4.2
166.08578	0.4
173.08101	1.1
175.14839	5.5
177.62920	0.3
180.13864	1.6
182.15422	4.0
184.13356	0.9
190.12289	3.9
190.45276	0.4
193.15953	0.4
196.13455	0.4
198.14883	1.9
208.13327	7.1
214.18015	4.0
226.14391	29.8
229.58038	0.4
231.05060	1.2
243.12349	0.4
244.15460	100.0
245.15828	0.7
258.08914	2.5
259.09683	0.7
277.44653	0.3
324.21680	2.9
329.12064	0.7
342.22781	18.0
347.13113	0.6
370.27731	0.3
448.21826	0.5
474.19922	1.0
492.20795	13.0
505.46057	0.4
546.30933	0.4
572.27393	1.2
590.27948	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	590.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09319	0.2
52.16487	0.2
53.03939	0.9
55.01876	0.4
55.05515	3.3
56.05028	0.3
57.03434	0.4
61.02908	0.5
62.06079	0.4
67.05484	0.7
68.99754	0.4
69.03436	3.0
69.07057	0.5
70.06576	1.1
70.12383	0.8
70.12775	0.5
70.78141	0.3
71.04977	0.6
71.07336	0.3
71.08637	3.0
72.08142	1.0
73.02916	0.6
79.05485	0.8
79.10990	0.3
81.03429	3.1
81.07059	1.4
82.06547	0.4
83.04988	3.2
83.07361	0.3
84.08135	0.7
85.02911	3.6
86.06073	13.1
86.09696	0.5
87.00838	1.3
91.05479	0.7
93.07033	1.0
95.04950	0.5
95.08582	1.0
96.08135	3.8
97.02893	2.2
97.06516	0.5
98.06088	0.7
98.09701	8.7
99.04454	1.0
99.08101	2.6
100.07614	0.4
101.06030	2.5
105.01891	0.4
105.07024	0.6
107.08582	1.0
108.08093	0.7
109.02879	2.9
109.10136	0.7
111.04452	5.2
111.08079	0.3
112.07586	0.5
114.09197	0.6
116.10739	21.1
117.01818	0.3
119.08551	1.5
121.06493	0.3
121.08887	0.4
121.10139	0.8
122.09644	0.8
123.11699	0.5
124.07578	1.1
125.05975	0.3
127.03911	4.3
129.01828	0.3
129.05461	1.1
131.08698	0.2
133.10138	0.3
134.09639	0.9
135.10446	0.4
136.11205	0.4
137.09624	0.8
140.10754	0.5
142.08641	10.0
142.12262	1.0
143.10678	4.0
145.05023	0.5
145.10124	0.6
146.09669	0.3
147.11641	0.2
148.11180	0.4
149.09557	0.3
151.07497	0.2
154.08563	0.4
154.15944	0.3
155.07076	1.8
159.02882	0.9
162.12770	0.8
163.03943	0.5
164.10745	4.5
165.09122	0.2
173.08092	1.0
178.12308	0.3
180.13843	1.1
180.62634	0.3
182.15411	3.9
184.13300	0.8
190.12283	3.8
196.13332	0.3
196.16989	0.7
198.14877	1.9
208.13321	7.0
213.03979	0.6
214.18025	9.5
225.11154	0.5
226.14391	31.7
231.05019	1.1
236.97685	0.3
244.15454	100.0
245.15797	0.6
259.09732	0.5
285.09912	0.3
324.21698	2.4
329.08194	0.2
329.12360	0.8
342.22766	19.4
347.13553	0.6
368.32571	0.3
406.20630	0.5
430.20920	0.5
448.21777	0.6
462.23282	1.2
474.19778	2.0
492.20819	14.6
546.29529	0.3
572.27106	1.4
590.28674	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	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.05514	22.9
57.03436	11.6
57.06793	3.4
57.07079	45.8
65.03971	3.9
67.05504	49.1
69.07058	24.1
70.77505	3.8
70.77869	6.4
71.05000	3.8
71.08638	27.9
79.05501	39.3
81.07063	51.9
83.04961	2.8
83.08621	20.4
83.64136	2.5
85.10182	15.8
87.04402	2.9
91.05482	58.8
93.07043	39.2
95.08608	51.2
97.10175	8.7
105.07034	52.0
107.08601	22.4
109.10168	22.6
117.07028	13.1
119.08594	45.8
121.10148	22.4
123.11716	9.9
129.07025	7.0
131.08565	18.8
133.10138	33.8
135.11678	22.2
137.13309	3.1
143.08565	5.9
145.10136	18.2
147.11693	45.0
149.13268	12.4
157.10156	9.6
159.11743	19.2
161.13271	29.9
163.14761	3.1
171.11719	9.5
173.13284	12.7
175.11322	3.0
175.14850	12.4
184.07359	3.0
185.13292	9.5
187.14923	3.9
199.14783	7.1
231.21117	10.2
239.23735	2.8
241.19536	37.0
259.20581	100.0
261.22000	4.2
277.21490	4.0
313.23685	4.6
313.27353	86.3
315.23264	6.4
333.24277	53.2
351.25522	3.2
395.13138	3.0
571.47217	12.4
589.49268	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	589.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01871	2.6
55.05507	1.9
56.96556	1.5
57.03430	1.4
67.05506	1.8
69.03436	5.4
69.07066	14.3
69.21884	7.8
70.06565	1.4
71.04983	2.4
79.05484	2.4
81.03416	2.5
81.07053	4.3
83.04993	1.6
83.08582	1.0
85.02903	4.8
85.06529	1.9
86.09683	1.5
87.00813	2.3
91.05482	4.9
93.07043	12.7
95.04945	1.9
95.08609	4.8
97.02868	3.6
97.06522	1.9
98.97587	1.6
99.04459	1.8
105.01855	1.0
105.07050	4.4
105.79250	0.9
107.08604	10.2
109.02860	1.5
109.06510	1.1
109.10135	3.2
117.06979	1.2
118.82368	0.9
119.08585	3.3
121.06503	12.2
121.10135	9.9
123.08058	2.4
123.11688	1.7
125.09637	1.2
126.98473	0.8
127.03934	4.6
131.08571	2.6
133.10127	8.1
135.08037	5.0
135.11705	4.4
137.05972	2.6
145.04887	1.2
145.10103	2.4
147.11687	26.3
149.09613	2.9
149.13301	7.1
153.01819	0.9
155.10657	1.1
158.10880	1.8
161.09578	4.5
163.14876	1.7
173.13252	5.9
175.07556	1.3
176.12025	1.2
177.05479	1.5
187.66350	0.9
191.14313	100.0
192.14629	1.0
203.01385	1.0
209.15385	3.6
262.55908	0.8
305.24643	1.8
315.52441	0.8
323.12589	0.9
323.18805	1.0
323.25879	0.9
327.07178	0.9
588.40625	1.0
589.21039	4.7
589.40973	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	589.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01878	1.4
55.05505	1.2
57.03445	1.7
57.07068	0.5
59.04982	0.6
61.02922	0.6
65.03983	0.4
67.05495	1.3
68.99806	0.4
69.03437	13.3
69.07065	1.4
70.20486	1.2
71.04990	0.9
73.02926	1.1
79.05492	1.4
81.03424	6.2
81.07066	2.8
83.04993	2.7
83.08625	0.5
83.65470	0.3
85.02914	12.0
85.06555	0.6
87.00842	5.2
87.04500	1.7
91.05478	1.2
93.07077	1.8
95.04972	1.5
95.08610	2.8
97.02901	9.7
97.06531	0.6
97.12247	0.3
99.04468	2.5
99.08082	1.0
105.01879	4.5
105.07063	1.5
107.04956	0.5
107.08604	5.7
109.02889	4.3
109.06522	3.6
109.10162	2.6
111.04461	1.1
111.08069	0.6
115.03941	2.1
117.01864	0.5
117.07053	0.5
119.08595	1.5
121.06506	1.0
121.09332	0.6
121.10157	9.0
122.07281	0.9
123.04393	0.4
123.08086	2.9
123.11721	2.7
125.09639	1.2
127.03929	6.7
128.44743	0.3
129.01877	0.8
129.05492	0.5
131.08556	0.5
133.04964	0.5
133.10146	9.2
135.08047	2.2
135.11725	1.0
137.09630	12.6
137.13254	0.9
139.03976	0.4
139.11186	1.3
145.04971	2.7
145.10092	0.8
147.02838	0.4
147.11691	1.1
149.06140	0.3
149.09616	4.9
149.13272	4.3
151.11200	14.6
158.10918	0.7
159.02881	2.2
163.14816	1.0
165.12769	27.2
169.12236	0.4
173.13330	1.5
177.05571	0.4
189.03911	0.4
191.14326	9.6
193.15918	1.9
201.03893	0.4
209.15382	100.0
210.15817	0.7
213.04030	0.5
215.05597	0.4
223.06142	0.5
231.04985	1.7
241.07178	0.5
283.07352	0.3
287.23715	0.6
305.24719	1.1
323.25577	0.5
327.07108	0.6
345.08200	1.0
457.20566	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	589.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01875	5.0
55.05514	2.8
56.96568	2.1
57.03435	5.8
57.07061	2.3
59.04974	1.7
61.02920	1.8
65.03941	1.6
67.05495	5.5
68.99806	2.1
69.03433	25.6
69.07079	7.9
69.30092	10.5
69.30506	3.4
70.06600	3.7
71.05009	3.8
72.08160	1.3
73.02909	3.6
79.05491	5.1
80.14470	1.4
80.29757	1.4
81.03419	20.6
81.07060	13.6
83.04985	5.5
83.08626	2.1
84.08118	2.9
85.02906	39.2
85.06552	3.7
86.09705	2.7
87.00836	16.2
87.04463	2.4
91.05473	11.1
93.07038	7.1
94.04194	3.3
95.04963	4.1
95.08630	8.9
96.87650	1.7
97.02906	25.1
97.06521	4.2
98.97603	3.3
99.04462	7.0
99.08146	1.5
103.05464	2.4
105.01885	14.1
105.07034	9.6
107.04962	4.2
107.08601	22.9
109.02880	19.6
109.06528	6.8
109.10158	14.7
111.04359	1.6
113.53159	1.5
115.03938	3.5
115.05450	3.9
117.01867	2.0
117.07044	2.0
119.04916	1.7
119.08588	6.4
121.06518	3.6
121.10146	18.7
122.03630	8.3
122.07275	4.4
123.08073	3.2
123.11739	3.4
125.09637	7.6
127.03917	28.4
128.06235	2.5
129.01820	3.7
129.07014	4.0
131.04951	6.7
131.08594	2.7
133.06494	3.5
133.10124	41.5
135.08064	8.8
135.11691	3.6
137.05981	100.0
137.09602	26.5
139.11191	5.9
145.04945	9.8
145.10095	2.2
147.08052	4.1
147.11691	6.5
149.05994	1.6
149.09616	5.9
149.13283	12.2
151.07510	8.9
151.11191	30.4
157.06520	3.6
159.02940	8.3
161.06032	7.6
163.03995	2.2
163.07594	10.1
163.14882	7.5
165.12755	6.9
172.05226	2.4
173.13297	8.1
175.07547	43.9
177.05490	5.9
187.07552	15.7
189.09148	4.7
190.07706	2.2
191.08572	2.1
191.14307	66.9
192.14590	2.1
194.07196	1.7
199.07573	10.5
201.09044	3.2
202.07822	3.5
203.08537	9.2
209.13501	3.5
209.15392	56.8
211.07620	2.5
217.08669	1.9
219.08029	3.9
220.08815	2.0
231.05075	5.6
231.08037	10.6
239.06956	2.8
240.07782	1.9
247.07642	1.9
248.08296	6.9
249.06067	1.6
249.09003	1.9
251.10698	4.7
255.06584	1.8
259.07562	4.6
260.08340	2.8
261.09027	2.4
263.10638	6.4
264.07953	1.6
271.09674	9.1
276.07733	3.6
277.08575	4.2
279.10187	3.6
283.09583	2.1
291.10162	23.6
292.10910	3.8
293.08157	2.7
295.13428	1.9
305.24890	1.8
308.10397	3.0
311.12897	11.5
323.12741	34.1
323.25778	4.3
325.14288	8.7
341.13937	16.8
361.20352	1.8
365.13919	2.0
427.19247	1.9
534.22095	1.6
589.22382	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	589.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01870	1.5
57.03430	1.6
61.02933	1.3
68.99783	1.3
69.03432	6.7
69.45207	6.2
69.45611	1.6
71.04994	1.0
73.02937	1.5
81.03429	8.2
81.07010	1.0
85.02912	16.7
87.00823	4.0
91.05478	3.4
94.04185	3.1
97.02900	4.5
98.20770	1.8
99.04433	2.4
103.05433	1.3
105.01878	2.7
105.07034	4.4
107.04922	1.4
109.02894	6.6
109.06520	2.1
115.05461	3.0
119.08570	2.5
122.03613	6.5
127.03101	1.3
127.03937	13.7
128.06264	1.2
129.01866	1.4
129.07030	2.0
131.04916	2.0
132.05696	2.7
133.06499	3.8
137.05986	100.0
145.04918	4.4
146.03612	0.9
147.08043	2.4
149.05971	1.3
151.07541	1.2
159.02937	4.8
159.08040	1.9
160.05241	1.9
161.05998	15.9
175.07553	32.6
179.07072	2.2
187.07547	10.6
189.03891	0.9
190.07837	1.5
191.08565	7.8
194.41647	1.1
199.07596	7.3
202.07867	3.1
203.08636	6.0
217.08606	1.2
218.07216	2.3
219.08037	11.7
220.08818	2.1
227.93678	0.9
230.07291	1.3
231.05067	1.8
231.08037	8.7
232.08855	2.0
236.08415	2.4
247.07657	5.3
248.08359	4.1
251.10692	14.9
253.08533	1.0
259.07529	4.9
260.08334	2.9
261.09140	1.1
262.09930	1.3
263.10617	4.8
265.08636	1.4
276.07761	3.6
277.08600	1.9
279.10196	10.9
280.10904	2.5
281.08029	1.3
286.86475	1.1
291.10184	14.3
292.10892	2.0
293.08167	1.3
295.13492	1.1
296.10199	1.5
303.10089	1.4
308.10379	2.2
309.11261	1.3
311.12787	35.8
321.11465	1.2
323.12830	26.0
335.12766	2.8
341.13864	1.6
353.14102	1.7
377.14084	1.4
383.83630	1.0
401.13974	1.5
589.40564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05041	0.6
58.06356	0.1
58.06620	0.4
59.07391	0.2
59.90396	0.1
60.08165	5.9
67.05502	0.2
70.06599	0.2
70.92287	0.1
70.92632	0.2
71.07379	2.7
81.07036	0.2
86.09709	30.3
91.05434	0.1
91.30981	0.1
93.07079	0.1
93.26130	0.1
95.08564	0.1
98.98473	3.2
104.10748	2.9
107.08656	0.2
118.71232	0.1
119.08546	0.1
125.00008	20.8
135.08037	0.2
143.01073	0.2
184.07346	100.0
185.07738	0.2
250.52545	0.1
258.11105	0.4
293.52005	0.1
322.49286	0.1
345.23456	0.1
479.84201	0.1
570.35583	1.1
586.62396	0.1
588.36664	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	587.3047
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
55.05500	0.5
56.96552	0.6
57.03435	0.3
59.04996	0.6
67.05499	0.8
69.03428	1.1
69.07069	0.4
70.06583	0.8
71.04982	0.4
71.53903	0.3
71.54277	0.3
79.05486	0.6
81.03403	0.4
81.07059	1.0
83.04987	0.4
83.08623	0.3
84.08151	0.4
85.02902	1.2
85.06573	0.3
86.09705	0.7
87.00848	0.2
91.05473	0.6
93.07061	0.6
95.04956	0.5
95.08605	0.6
96.01860	0.4
97.02920	0.7
97.06528	0.8
98.97591	0.4
105.07054	0.4
107.08608	0.6
109.10146	0.6
111.04434	0.3
117.07043	0.2
119.04873	0.3
119.08571	0.3
121.10167	0.6
123.08020	0.3
125.09628	0.5
127.03889	0.8
133.10120	0.6
145.10153	0.4
146.99640	0.2
147.04395	0.3
147.11711	0.3
151.11191	0.3
153.01846	0.6
155.10638	0.5
159.11696	0.4
177.05376	0.5
185.04298	0.4
191.16438	0.5
203.05290	1.2
239.11375	0.3
259.07611	1.6
303.04810	0.3
303.23160	0.7
321.24280	0.3
331.10165	0.3
339.05093	0.4
351.20987	0.4
395.15308	0.2
413.16391	0.3
425.25241	2.0
431.18872	0.8
477.15335	1.3
489.23032	0.7
495.16110	1.2
517.22241	1.1
551.19580	0.6
569.20160	1.1
569.29395	0.3
577.89929	0.4
586.40613	0.5
586.90698	3.5
587.21619	5.7
587.30353	100.0
588.30957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.2
53.03944	4.5
55.01868	1.9
55.05504	3.3
57.03429	2.1
59.05002	1.4
61.75489	0.7
67.05517	6.5
69.03432	5.3
69.07085	4.1
69.18621	8.0
69.44266	0.7
69.50850	0.7
71.04994	12.8
73.06553	1.3
79.05495	11.1
81.03422	3.5
81.07056	19.5
83.05004	1.5
85.02895	7.1
85.06551	1.2
86.09713	1.6
87.00815	1.1
90.13213	0.7
91.05484	22.3
93.07047	100.0
95.04979	7.6
95.08615	14.5
97.02880	1.4
97.06525	4.7
98.21622	1.5
99.04456	2.0
103.05521	1.0
105.01845	1.0
105.04528	2.4
105.07036	17.9
107.04946	1.2
107.08601	17.5
108.53500	0.8
109.02905	2.2
109.06538	5.2
109.10165	7.5
111.08092	7.9
117.07036	2.8
119.04947	0.7
119.08587	12.1
121.06518	2.4
121.10152	35.7
123.07329	0.9
123.08093	3.4
123.11711	5.3
125.00026	0.8
125.09650	4.2
127.03909	4.0
127.07559	0.7
127.11191	5.8
129.07085	2.3
130.07787	2.2
131.08585	6.2
133.10103	4.8
135.08038	1.6
135.11702	11.6
137.09628	5.8
137.13242	2.0
139.11186	6.4
142.07761	1.1
143.08545	3.1
143.10658	1.8
144.09328	1.1
144.54124	0.8
145.04996	0.8
145.10132	18.4
147.11694	10.8
149.09610	6.4
151.11186	1.8
153.01811	1.4
153.12733	10.1
155.08510	0.9
155.54951	0.7
157.10138	5.0
159.11723	5.8
161.09639	2.0
161.13304	2.4
163.03979	1.5
163.11209	12.7
165.12764	1.2
169.10168	1.3
171.11713	2.4
173.13322	2.1
175.11203	2.3
175.14857	2.8
177.12805	2.0
181.12234	9.9
183.11774	2.2
183.13820	0.8
184.07367	7.9
185.07642	1.5
187.14857	2.0
189.16406	1.6
191.14357	1.6
193.15892	4.8
197.13309	0.8
199.13211	1.5
199.14830	10.8
201.16365	1.2
205.15932	2.3
209.15369	1.0
211.15012	1.2
211.17010	6.3
213.16353	1.7
215.17987	3.2
217.15926	7.1
223.16954	7.3
225.16507	1.3
233.19048	4.6
235.17026	1.0
251.20125	0.9
257.22501	0.8
259.09555	1.1
267.21143	1.9
285.22159	15.0
303.23190	43.1
305.24680	1.0
321.24225	10.9
334.55246	0.8
437.59131	0.7
477.15280	1.3
495.16415	3.6
551.28937	1.1
569.20117	2.0
587.21057	6.6
587.30432	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	585.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05517	16.5
57.07064	6.4
59.23297	1.5
67.05180	2.8
67.05508	33.2
69.07076	17.9
71.08626	2.7
79.05505	16.2
81.03452	1.5
81.07067	38.1
83.04986	1.8
83.08624	9.1
85.06571	2.3
91.05489	18.8
93.07055	20.1
95.04987	2.2
95.08620	30.2
97.06529	3.0
97.10174	5.5
99.08109	2.4
105.07039	29.0
106.07370	2.2
107.08607	12.3
109.06530	2.5
109.10160	12.8
117.07041	10.1
119.08593	31.7
121.10152	10.5
123.08112	3.9
123.11696	6.1
123.12482	1.6
125.09682	1.8
126.43545	1.5
129.07031	5.4
131.08585	22.0
133.10149	15.8
135.08139	2.7
135.11725	6.7
137.09665	2.4
137.13216	2.7
139.11163	1.8
143.08597	9.4
145.10130	22.3
147.11736	6.6
149.13293	3.4
155.08565	4.9
157.10133	7.0
159.11713	7.8
161.13292	6.5
169.10164	5.0
171.11751	5.2
173.13307	7.5
175.14827	10.3
177.16277	1.7
181.10138	3.0
183.11774	2.1
185.13292	4.6
187.14798	8.0
189.16348	3.2
195.11644	1.8
197.13309	4.5
199.14877	3.2
201.16365	8.1
209.13374	2.6
211.14845	4.3
213.16486	3.6
215.18013	2.8
223.14722	2.7
225.16246	2.3
227.18045	2.0
229.19579	2.3
231.21202	3.9
237.16409	1.8
239.18118	2.2
243.21158	1.7
245.22708	3.1
249.16397	1.6
255.21254	2.0
279.23245	2.0
283.20746	2.0
293.24854	2.8
299.23706	2.0
327.26880	2.2
331.26422	1.8
369.31592	1.9
383.33408	2.5
429.37701	1.9
437.34326	2.4
503.42584	3.5
514.56958	1.7
521.43652	16.2
535.45459	2.0
553.46411	19.4
585.48877	100.0
586.48962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.1
57.03416	1.4
57.07094	1.1
58.68545	1.0
59.05006	1.7
66.23254	0.8
67.05508	6.5
67.65716	1.0
69.03430	5.4
69.07065	5.2
71.05018	1.6
71.54899	1.4
79.05492	6.1
81.03433	2.9
81.07059	8.0
83.04991	4.8
83.08624	2.0
85.02903	4.0
85.06546	13.9
86.09697	3.2
91.05476	5.1
93.07050	8.3
95.04980	4.4
95.08617	7.4
96.44286	1.1
97.02902	1.3
97.06517	1.8
99.08072	3.8
105.07028	4.9
107.04951	1.9
107.08595	8.4
109.02874	2.3
109.06500	2.2
109.10163	8.9
111.04446	1.2
111.08058	5.9
113.09633	2.8
119.08595	8.3
121.06516	3.8
121.10148	18.0
123.04441	2.5
123.08062	1.4
123.11726	4.5
124.98898	0.9
125.00028	3.6
125.09643	5.1
126.47337	1.1
127.03970	2.1
127.07611	1.8
129.07011	1.2
131.08569	3.4
133.10152	6.5
135.08049	3.5
135.11678	5.2
137.09619	9.5
139.11160	2.4
143.08600	1.5
145.10127	6.6
147.11691	4.2
149.09605	8.1
149.13242	2.7
151.11166	2.5
153.09087	6.5
157.10109	2.8
158.10802	1.1
159.11716	3.9
161.09641	3.2
161.13283	1.5
163.11192	3.5
163.14839	1.2
167.10719	3.9
171.11748	1.5
173.13278	9.9
175.11212	2.9
175.14882	1.4
177.12764	1.8
179.10725	4.5
183.11595	1.6
184.07367	9.3
185.07651	1.9
185.13235	1.6
186.07770	1.9
187.11259	1.1
187.14830	4.4
189.12781	1.8
191.14319	7.4
193.12196	1.9
199.14857	1.8
201.12721	3.8
203.14388	2.0
205.12282	1.6
215.14383	2.3
215.17952	1.9
217.15889	2.2
219.13821	3.7
229.19543	1.9
233.15421	1.7
239.18050	1.6
247.20660	4.8
257.18991	11.1
259.20502	1.3
275.20071	100.0
293.21121	68.7
337.92978	1.1
505.23984	1.5
523.25385	2.2
586.29675	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	585.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.7
57.03437	1.1
60.08167	1.8
67.05504	3.6
69.07068	1.7
69.25972	11.1
77.52280	1.2
79.05492	2.2
81.03415	1.2
81.07050	3.2
83.01096	8.5
83.04983	1.3
84.01864	1.9
84.59623	1.2
85.02919	1.8
86.09727	8.7
87.10015	1.4
91.05498	1.7
92.43140	1.1
93.80053	1.1
95.01099	6.0
95.33256	1.1
96.01866	2.7
96.14777	1.1
97.02630	2.6
97.06554	1.2
98.34840	1.0
98.97603	1.4
100.56211	1.0
104.10752	1.3
109.10169	2.7
116.67393	1.0
116.89926	1.1
119.08572	1.4
125.00031	5.4
139.03706	2.9
156.03938	6.5
175.86246	1.3
183.02490	1.3
184.03468	8.6
184.07346	22.7
185.04230	11.0
185.07675	5.3
186.07729	2.1
201.03716	14.2
203.05302	6.1
213.09648	1.1
223.13080	2.3
241.06964	1.7
258.07169	1.9
259.07861	8.4
269.13699	1.4
301.09247	1.2
331.09967	12.8
337.16318	1.8
345.11746	1.9
350.08505	1.3
359.13345	1.6
373.14636	2.7
401.17822	2.0
431.18991	11.9
457.20465	24.8
499.21536	50.0
551.28168	1.2
558.68146	1.1
567.28119	4.2
585.28790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
56.71897	0.6
57.03430	1.6
57.07074	1.6
61.02928	8.3
67.05518	4.2
69.03429	3.0
69.07079	3.7
69.99473	0.7
71.04990	0.8
71.08646	1.5
71.53529	1.2
73.02916	4.6
79.05487	3.5
81.03407	1.5
81.07051	5.9
83.08617	2.1
83.46754	0.6
85.02914	6.2
91.03953	5.1
91.05497	2.6
93.07050	4.8
95.08598	6.6
97.02892	4.5
97.06524	0.7
99.04462	0.8
99.08086	1.0
100.06385	0.7
101.02377	1.0
105.07050	2.3
107.08584	4.5
109.06520	7.0
109.10163	2.3
111.08105	1.2
119.08595	3.3
121.07933	0.6
121.10140	2.7
123.08073	16.5
123.11686	1.4
127.03908	1.5
131.08539	1.5
133.10118	2.7
135.08083	4.4
135.11740	1.6
139.11142	0.7
144.48611	0.7
145.10167	1.7
147.11717	1.8
149.09647	1.2
149.13342	0.8
159.11684	1.2
165.12836	0.9
169.46829	0.7
177.12782	1.0
179.14310	27.8
184.07336	1.0
184.30482	0.6
191.14204	0.8
193.15878	1.3
205.15872	1.6
275.20132	2.1
293.21246	1.5
303.26852	1.7
313.25366	0.9
331.26340	15.9
331.32581	0.6
349.27466	2.6
367.24652	1.0
405.30127	1.1
423.31070	100.0
458.89020	0.7
493.31329	0.8
567.35669	0.9
585.37097	1.5
595.39435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50085	0.2
55.05521	0.4
67.05503	0.4
69.03445	0.3
69.07054	0.2
69.29620	1.4
69.30029	0.5
70.06573	0.3
71.05016	0.3
73.63811	0.3
79.05494	0.3
81.03407	0.3
81.07038	0.5
85.02914	0.3
86.09717	1.1
87.10089	0.3
91.05483	0.5
93.07072	0.4
95.04950	0.3
95.08575	0.2
95.09534	0.3
96.48123	0.2
97.06538	0.6
98.97611	0.3
105.07071	0.3
109.02901	0.4
116.26143	0.2
125.00015	0.4
125.09706	0.3
133.10077	0.4
137.05803	0.4
162.69080	0.3
163.03912	0.5
184.07367	2.1
185.04182	0.4
185.07707	0.8
186.07813	1.0
195.11690	0.3
203.05275	0.8
210.55284	0.2
259.07690	1.1
295.15323	0.6
309.16656	0.3
331.09973	0.9
335.18454	0.2
345.11526	0.3
346.95300	0.3
349.19803	1.1
405.22723	0.3
423.23514	2.5
457.20499	2.9
460.10226	0.3
471.22174	2.4
497.23785	2.8
499.25449	0.5
542.56439	0.3
567.28479	0.3
578.17249	0.2
585.28833	100.0
586.29047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05034	0.6
56.96550	0.1
58.06634	0.5
59.07407	0.2
60.08168	6.6
67.05505	0.9
69.03438	0.3
69.07072	0.6
70.06605	0.3
71.04991	0.4
71.07374	3.0
71.08642	0.2
71.54980	0.1
79.05486	0.4
81.03416	0.2
81.07053	0.8
83.04980	0.2
83.08615	0.2
84.08141	0.2
85.02907	0.3
86.09708	30.7
87.10092	0.1
87.46362	0.1
90.83420	0.1
91.05462	0.3
93.07035	0.2
95.04986	0.2
95.08609	0.2
97.06538	0.5
97.10171	0.1
98.98466	2.7
104.10745	4.0
104.11427	0.2
107.08597	0.3
109.10155	0.4
111.11724	0.3
116.98493	0.2
119.08607	0.2
121.10170	0.2
125.00009	21.6
125.09654	0.2
127.03944	0.2
129.12730	0.2
131.00169	0.1
163.85970	0.1
173.11751	0.1
184.07344	100.0
185.07785	0.3
185.67584	0.1
229.14523	0.1
258.11038	0.2
259.09604	0.3
271.26633	0.1
330.29788	0.1
367.17773	0.2
412.21002	5.0
466.25632	0.2
516.30945	1.1
534.24823	0.1
534.31927	1.9
548.33276	0.2
549.22522	0.2
552.32574	0.4
566.27032	0.2
566.34448	1.3
584.27386	1.6
584.35266	5.0
585.17126	0.2
588.18085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83398	0.1
55.05489	0.3
56.05040	0.6
58.06313	0.2
58.06623	0.5
59.07386	0.1
60.08168	6.0
67.05505	0.4
67.90683	0.1
69.07058	0.1
69.27401	0.8
70.06586	0.2
71.04991	0.4
71.07377	3.2
71.08618	0.2
76.97261	0.1
78.20729	0.1
79.05501	0.2
81.03414	0.1
81.07052	0.4
83.08639	0.1
85.02908	0.1
85.13290	0.1
86.09709	31.8
91.05485	0.2
93.07041	0.2
93.92283	0.1
95.08611	0.1
96.49658	0.1
97.06532	0.3
98.20788	0.1
98.98466	3.1
104.10753	3.5
105.07069	0.2
107.08596	0.1
109.10172	0.2
121.10146	0.1
125.00011	22.4
126.49757	0.1
143.01094	0.2
163.03912	0.1
184.07347	100.0
185.07710	0.2
193.45766	0.1
202.15999	0.3
258.11200	0.2
259.09888	0.3
300.13724	0.3
371.13370	0.3
394.06604	0.1
412.20935	1.6
415.95743	0.1
466.25681	2.2
499.25385	0.1
516.31116	0.6
534.31952	1.4
534.39325	0.1
537.00354	0.1
548.33868	0.2
552.32996	0.6
566.34601	1.2
566.41821	0.1
584.29089	0.4
584.36267	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	584.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
55.88034	0.1
56.05027	0.4
58.06609	0.5
60.08164	6.1
61.85798	0.1
66.55062	0.1
67.05492	0.4
69.03439	0.2
69.07059	0.3
70.06577	0.1
70.56417	0.2
71.04981	0.3
71.07371	2.9
73.83533	0.1
79.05497	0.3
81.03403	0.2
81.07061	0.3
83.08633	0.1
85.02896	0.3
86.09707	29.8
90.08927	0.1
91.05491	0.2
93.07047	0.2
95.04971	0.2
95.08587	0.1
97.02888	0.2
97.06544	0.3
98.98464	2.6
104.10052	0.3
104.10749	3.7
105.01855	0.1
107.08573	0.2
125.00008	20.4
163.03871	0.2
184.07343	100.0
185.07622	0.2
258.11047	0.2
259.09708	0.2
403.92853	0.1
434.22681	0.3
448.24850	0.2
466.25638	3.1
516.30823	0.6
534.31854	1.6
548.33502	0.3
552.33087	0.7
553.11481	0.1
566.34595	1.2
584.27753	0.3
584.35950	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	584.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55316	0.1
55.01874	0.2
55.05503	0.3
56.05033	0.7
56.96553	0.1
57.03426	0.1
57.31028	0.1
58.06618	0.4
59.07377	0.1
60.08167	6.2
67.05493	0.4
67.36042	0.1
68.05824	0.1
69.03399	0.1
69.07059	0.2
69.17124	0.3
69.17527	0.9
70.06580	0.3
71.04979	0.3
71.07375	3.1
71.08643	0.2
79.05489	0.3
81.03427	0.2
81.07054	0.4
82.06576	0.2
83.08617	0.1
85.02906	0.2
86.09708	29.7
87.10023	0.3
91.05485	0.3
91.10752	0.1
93.07094	0.1
95.04926	0.1
95.08620	0.2
96.14514	0.1
97.06538	0.5
97.10136	0.2
98.97559	0.2
98.97716	0.2
98.98472	3.1
99.08076	0.1
104.10743	3.8
105.07014	0.1
107.08620	0.2
109.10170	0.2
111.04374	0.1
119.08636	0.2
120.08084	0.1
124.51631	0.1
125.00007	21.0
127.00363	0.1
131.08562	0.1
133.10233	0.2
142.28178	0.1
163.03981	0.3
184.07343	100.0
185.07707	1.1
186.07820	0.6
219.01683	0.1
254.17590	0.3
258.11096	0.2
259.09732	0.4
285.10172	0.2
414.21921	0.1
434.23434	0.2
466.25668	3.1
516.30786	0.6
534.31976	1.3
548.33459	0.2
552.32837	0.5
566.34595	1.2
568.96869	0.1
584.14624	0.3
584.35681	4.8
585.29065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.32
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
56.96559	0.3
57.03418	0.3
58.06598	0.8
59.07375	0.6
60.08168	6.4
67.05499	0.9
69.07051	0.3
69.40176	0.5
69.40581	1.2
71.07372	2.6
79.05467	0.2
81.03382	0.2
81.07063	0.5
83.08619	0.3
86.09709	30.0
90.20798	0.2
98.98468	2.8
104.10746	3.5
105.07014	0.2
109.10166	1.1
119.08594	0.2
125.00011	19.3
184.07349	100.0
185.07684	0.2
189.95961	0.2
196.87976	0.2
229.14474	0.3
239.09286	0.3
253.43085	0.2
274.27319	0.2
322.33694	0.2
394.19998	0.5
412.20996	3.8
566.31403	0.6
584.32379	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	583.517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.9
56.96556	2.2
57.07079	3.4
60.08164	2.1
64.80624	1.4
67.05508	8.7
69.07076	2.7
70.06597	7.2
71.08638	2.3
71.54904	2.8
73.02914	1.3
79.05493	4.8
81.03419	3.2
81.07056	4.2
83.04989	2.2
83.08632	1.5
85.02914	2.7
86.09726	9.0
88.07648	8.0
91.05454	2.3
93.07037	1.9
95.04977	1.8
95.08587	1.7
97.06522	2.1
102.09171	3.8
104.10728	6.4
105.07055	2.1
106.08669	6.3
109.10150	3.6
119.08612	1.6
121.10183	1.4
125.00009	7.0
149.09616	2.3
155.20560	1.4
184.07372	23.6
185.07744	1.7
211.13354	1.7
229.07486	1.8
256.26468	3.5
260.05664	1.4
267.09250	1.9
274.27426	100.0
334.42947	1.5
403.24518	1.4
583.24426	5.8
583.31158	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91637	1.7
53.03940	4.7
55.05514	18.7
57.07079	8.7
59.05008	4.3
59.07629	1.7
65.03951	4.6
67.05173	2.3
67.05505	22.0
68.29285	1.5
69.03433	6.6
69.07073	21.9
70.71272	3.9
71.05006	2.7
77.03942	2.5
79.05492	24.7
81.07059	28.4
82.07740	1.5
83.04979	11.4
83.08607	10.4
85.06538	6.5
91.05484	48.6
93.07047	61.5
95.04982	9.2
95.08608	35.6
95.09181	2.9
97.06562	8.0
97.10132	1.9
103.05520	2.2
105.04550	1.9
105.07035	74.7
107.08598	53.7
109.06521	10.1
109.10166	19.9
110.29111	1.8
111.08085	2.9
111.11713	2.0
113.09533	1.7
115.05488	6.6
116.06227	2.0
117.07015	17.8
119.08585	84.3
121.06526	4.5
121.10146	51.9
123.08057	9.3
123.11729	6.3
125.09642	4.5
128.06221	14.4
129.07004	15.2
130.07811	9.5
131.08578	34.9
133.06532	2.8
133.10138	42.7
135.08112	8.0
135.11708	15.9
137.09612	11.5
139.11188	3.1
141.07045	8.2
142.07773	24.5
143.08566	43.2
144.09378	7.4
145.10129	57.8
147.08064	9.4
147.11710	17.3
149.09639	9.0
149.13318	2.6
151.07559	8.4
153.07036	6.6
154.07817	4.8
155.08548	20.4
155.10666	1.9
156.09346	16.7
157.10135	56.7
158.10930	6.7
159.08070	5.5
159.11703	26.7
161.09669	7.6
161.13283	7.5
163.11217	6.5
165.07019	9.8
165.09172	12.2
166.07886	2.8
167.08615	7.6
167.10678	32.8
168.09360	8.9
169.10133	29.7
170.10934	7.3
171.11697	28.8
173.09665	2.4
173.13287	29.0
175.11206	2.9
175.14838	11.5
177.12764	2.0
178.07820	3.0
179.08582	16.6
180.09413	6.5
181.10107	18.1
181.12289	5.7
182.10887	8.8
183.11674	26.8
184.12512	7.4
185.13290	19.3
187.11292	3.3
187.14850	7.3
189.12717	6.6
191.14417	7.7
192.09419	4.5
193.10162	17.2
193.11963	2.5
194.10867	10.1
195.11708	23.1
196.12509	6.1
197.13280	24.2
198.14082	2.3
199.11255	2.6
199.14833	15.9
201.16394	3.6
203.08543	2.3
203.14397	5.0
205.10146	5.0
205.15823	2.2
206.10890	9.0
207.11736	18.0
207.13840	6.2
208.12505	7.7
209.13287	33.0
210.14063	5.1
211.11327	3.2
211.14844	12.0
213.12802	2.8
213.16335	5.4
215.14421	3.1
217.10120	3.9
217.15872	10.7
218.10974	2.7
219.11681	9.0
220.12511	6.4
221.13278	20.6
221.15428	25.9
222.14105	4.8
223.11166	1.9
223.14793	16.4
224.15717	2.2
225.12682	2.7
225.16438	7.7
227.14314	3.5
229.15868	4.0
230.10965	2.7
231.11737	6.5
231.17372	2.0
232.12460	4.4
233.13498	10.2
233.15189	10.8
234.14026	4.8
235.14851	12.6
236.15623	3.2
237.12775	2.3
237.16344	8.3
239.14197	2.5
239.18015	5.0
241.19487	2.4
243.11737	3.8
244.12592	2.8
245.13252	9.3
246.14043	4.5
247.14784	12.1
247.17076	2.4
248.15750	3.7
249.16374	11.0
250.17271	2.6
251.17999	6.1
253.15868	2.0
253.19508	2.6
255.17430	2.3
257.13217	2.7
257.19037	7.2
258.14203	1.9
259.14908	6.7
260.15738	4.1
261.16376	10.6
262.17224	2.8
263.17963	10.0
265.16943	2.0
265.19272	8.8
269.19019	5.1
271.14905	3.8
271.20560	2.6
272.15671	3.0
273.16418	6.7
274.17239	2.8
275.17847	9.0
277.19598	4.6
281.13220	1.7
281.19061	2.6
283.20544	15.2
285.16129	3.2
285.18851	2.6
287.17746	4.0
289.19620	5.4
293.19009	3.0
295.20618	3.9
297.16476	3.1
299.20532	2.6
300.20883	1.8
301.19424	2.4
303.20990	3.5
307.20706	3.0
309.21945	2.6
315.21048	3.2
317.22629	2.3
321.22165	2.6
331.24280	5.9
335.23782	3.6
347.23611	2.9
349.25238	8.5
357.25934	2.7
361.25198	2.3
375.26926	3.1
403.30042	5.2
442.19254	2.2
491.34854	5.2
503.34848	2.0
509.34427	2.3
527.35706	1.9
542.96893	2.2
547.39093	4.0
565.40240	19.4
577.93713	2.0
583.41437	100.0
614.07635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.05516	12.7
57.07079	8.3
59.04992	5.7
65.03929	3.1
67.05176	1.9
67.05508	21.2
69.03429	6.0
69.07069	14.8
69.62113	4.4
69.62548	5.6
70.19276	1.2
79.05491	18.0
81.07060	25.9
83.04999	8.6
83.08619	7.3
85.06555	5.8
91.05482	35.1
91.06019	2.9
93.07054	41.3
95.04951	7.1
95.08612	32.7
97.06525	4.7
103.05474	3.1
105.07037	63.3
106.07863	1.6
107.08604	37.0
109.06534	7.4
109.10156	19.1
111.08090	2.5
115.05482	4.4
116.06261	1.8
117.07040	15.0
117.82744	1.2
119.08591	68.2
121.06527	5.6
121.10154	38.6
123.08085	14.5
123.11733	4.4
125.06003	2.1
125.09655	3.0
128.06218	9.0
129.07013	16.6
130.07802	7.1
131.08583	34.2
133.06526	2.0
133.10141	34.7
135.08029	8.3
135.11710	12.1
137.09625	9.6
139.11169	2.9
141.07025	6.5
141.53894	1.4
142.07806	18.4
143.08568	36.0
144.09361	6.8
145.10135	44.5
147.08032	14.1
147.11717	14.3
149.09642	6.2
149.13278	2.8
151.07545	15.3
153.07013	3.4
154.07788	3.0
155.08556	15.0
156.09387	12.9
157.10143	41.3
158.10965	7.1
159.08104	2.8
159.11697	19.6
161.09634	5.7
161.13213	7.9
163.11221	6.2
165.07002	5.2
165.09125	29.1
166.07872	2.4
167.08548	8.9
167.10677	12.5
168.09357	6.6
169.06799	1.3
169.10155	26.4
170.10875	7.7
171.11697	27.2
172.12560	2.3
173.09579	1.6
173.13255	19.1
175.11168	4.0
175.14772	8.4
177.09213	1.8
178.07841	1.5
179.08582	10.8
179.14319	1.3
180.09425	5.4
181.10170	13.0
181.12233	4.2
182.10938	8.5
183.11694	23.8
184.12526	4.1
185.09613	2.4
185.13274	16.4
186.14020	1.6
187.11249	2.8
187.14857	4.4
189.12810	4.2
191.08524	2.5
191.14320	7.8
192.09373	6.3
193.10149	13.3
194.10941	11.9
195.11697	17.7
195.13255	2.2
196.12544	5.4
197.09793	1.5
197.13264	17.5
198.14114	1.7
199.11090	1.9
199.14842	13.1
201.16422	1.5
203.14330	14.5
205.10165	4.6
205.15977	2.1
206.10953	4.1
207.11752	15.7
207.13803	6.4
208.12468	7.2
209.13300	23.7
209.15195	1.9
210.14034	3.4
211.14873	9.6
213.12880	1.4
213.16438	3.5
217.10196	1.9
217.15921	7.1
218.10999	2.5
219.11807	7.7
219.17625	1.6
220.12576	5.9
221.13275	15.4
221.15430	46.0
222.14124	3.9
223.14796	14.2
224.15572	2.0
225.12849	2.1
225.16458	4.7
225.53149	1.5
227.14439	2.8
229.10313	2.2
230.10901	2.2
231.11800	4.7
231.17468	2.6
232.12534	4.3
233.13310	9.0
233.15419	4.8
234.14027	3.0
234.16095	1.5
235.14790	10.9
236.15714	2.4
237.12730	1.9
237.16389	7.6
239.17934	3.8
241.15906	2.3
241.19612	2.1
243.17563	1.8
244.12598	2.5
245.13257	5.1
246.13925	2.7
247.14925	9.5
247.17056	1.9
248.15675	2.9
249.16406	6.0
250.17183	2.4
251.18034	4.6
253.19525	1.7
255.17392	2.1
257.13156	2.3
257.19092	5.4
258.14078	1.7
259.14957	4.6
260.15640	5.6
261.16403	8.2
263.17987	7.1
265.19489	6.8
267.17493	1.9
269.18991	3.6
271.14575	2.6
271.20700	1.9
272.15659	1.8
273.16425	6.3
275.17831	11.2
277.16315	2.8
277.19620	6.3
279.21085	3.0
281.19055	3.2
283.14923	1.6
283.20526	11.6
287.17905	4.1
289.19644	5.5
295.20663	4.9
297.22202	4.6
300.20987	1.8
301.19336	2.8
307.20490	2.1
309.22153	1.6
317.22736	2.7
329.22726	2.5
331.24438	3.3
335.23880	2.1
343.24277	2.2
347.23529	2.2
349.25372	6.1
357.25891	1.7
361.25281	3.1
365.24869	3.5
373.25378	1.7
375.27026	5.0
403.30026	5.3
491.35266	4.5
503.35483	4.4
509.33890	2.0
547.39142	4.1
565.40405	27.1
583.41498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05520	23.4
57.07066	15.2
59.04966	4.8
65.03940	3.9
67.05513	33.0
69.03427	8.0
69.07078	22.0
70.76640	3.3
71.04973	3.5
71.54974	4.5
76.77914	3.8
79.05495	33.5
81.07058	34.3
83.04965	13.1
83.08622	13.3
85.06541	9.9
91.05480	66.8
93.07053	69.0
94.28487	3.6
95.04958	17.0
95.08617	51.0
97.06528	8.2
103.05421	3.7
105.07030	91.0
107.08601	61.3
109.06522	9.5
109.10164	31.3
111.04408	5.0
111.08119	6.5
115.05415	3.5
116.06229	4.5
117.07022	23.5
119.08585	93.4
121.06501	6.5
121.10149	52.4
123.08101	17.3
123.11681	6.6
125.05991	5.5
128.06201	16.1
129.07019	21.2
130.07750	12.6
131.08577	50.5
133.10136	51.2
135.08061	13.2
135.11673	17.7
137.09602	13.4
141.06981	9.1
142.07790	31.6
143.08577	53.6
144.09302	7.9
145.06471	5.4
145.10124	70.4
147.08049	20.2
147.11682	24.9
147.14725	3.2
149.09579	9.9
149.13228	6.8
151.07538	12.6
154.07796	5.9
155.08565	17.7
156.09351	28.7
157.08954	5.6
157.10138	65.5
158.10867	6.6
159.08047	4.6
159.11684	33.4
161.09651	5.6
161.13263	6.7
162.57210	3.0
163.11159	10.8
165.06998	14.2
165.09123	37.6
167.08575	14.3
167.10667	19.1
168.09384	11.6
169.10146	34.8
170.10893	13.9
171.11691	37.7
173.09627	8.9
173.13252	31.7
175.11218	4.6
175.14795	12.3
178.07826	4.5
179.08524	22.3
180.09317	10.1
181.10124	17.2
181.12260	12.1
182.10880	15.6
183.11728	33.9
184.12444	11.3
185.13268	25.1
187.11229	4.9
187.14815	10.5
189.12781	4.8
191.14287	10.3
192.09354	8.9
193.10135	20.8
194.11053	15.7
195.11716	29.5
196.12457	8.3
197.13289	24.7
199.11313	3.9
199.14818	22.8
201.16368	6.5
203.14311	10.3
205.10187	9.1
206.10948	10.3
207.11693	20.1
207.13644	6.5
208.12491	12.5
209.13275	36.1
209.15154	6.2
210.13960	4.7
211.11168	4.5
211.14784	18.1
215.14384	6.5
217.10110	4.7
217.15854	11.4
218.11053	4.5
219.11693	13.3
220.12468	9.4
221.13229	17.8
221.15359	60.5
222.13998	5.1
223.14789	16.5
224.15604	3.8
225.16420	8.2
227.14326	5.1
229.15833	4.3
231.11716	8.0
231.17361	6.8
232.12502	6.1
233.13289	11.6
233.15393	8.2
234.13942	5.4
235.14774	17.9
237.16429	7.2
239.14209	3.4
239.18002	4.0
244.12517	8.6
245.13268	8.9
246.14082	5.8
247.14783	14.1
248.15602	6.8
249.16386	14.8
251.18018	7.2
257.19046	10.4
259.14795	8.3
260.15576	3.6
261.16302	12.1
263.17960	9.2
265.19464	7.9
269.18903	4.0
271.20505	4.1
273.16205	3.6
275.17932	16.4
277.19708	5.7
283.20532	15.3
289.19171	5.2
290.28571	3.4
295.20438	6.4
299.20087	5.4
331.24265	6.2
349.25165	8.5
361.25888	3.5
403.29871	6.3
491.34894	7.2
503.34854	8.1
507.06223	3.6
547.39313	6.0
565.40417	22.9
583.41437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.05516	9.3
56.05038	2.4
56.96565	2.3
57.03433	5.8
59.04986	1.6
60.08171	6.7
61.02931	2.8
67.05510	33.1
67.72945	1.3
69.03438	3.6
69.07072	8.5
70.06595	2.9
71.04995	4.1
71.07384	2.8
71.54266	1.6
73.02908	2.1
79.05502	14.5
81.03426	3.1
81.07062	20.6
83.04974	2.6
83.08625	6.5
84.08186	1.8
85.02934	8.8
85.06544	1.7
86.09711	35.8
89.85371	1.5
91.05475	14.0
93.07052	17.5
95.04976	5.0
95.08616	10.7
97.02918	4.1
97.06538	25.3
97.10158	2.0
97.11822	1.4
98.97591	2.5
98.98466	3.7
99.04508	1.5
99.08142	2.5
104.10753	4.1
105.07020	11.6
107.04966	3.8
107.08588	12.7
107.76672	1.4
108.08878	1.4
109.02910	2.4
109.06518	4.6
109.10166	21.2
111.04431	1.7
111.08028	1.4
117.07018	4.8
119.08602	8.9
120.08124	2.1
121.06507	3.0
121.10179	6.4
123.08077	3.4
123.11701	2.3
125.00020	23.7
125.09705	1.5
127.03954	2.4
131.08611	11.5
133.10168	10.1
135.08121	2.0
135.11752	2.3
137.05989	1.7
137.09599	2.5
137.13205	1.5
143.08646	1.7
145.02892	3.5
145.10129	6.4
147.11699	5.5
149.09637	4.7
149.13263	5.1
155.10707	4.0
157.10161	1.6
159.11693	7.2
161.05942	2.3
161.13304	2.3
163.11235	3.3
167.07083	1.4
167.08589	1.8
171.11687	2.1
173.09763	2.1
173.11758	9.8
173.13310	6.3
174.13582	2.7
177.05515	5.2
177.09204	1.6
177.12781	6.2
183.11830	2.1
184.07359	100.0
187.11197	1.7
191.06964	1.6
191.14224	2.1
193.12334	1.9
215.07199	1.5
215.14326	1.4
217.04974	1.3
227.12796	2.0
229.04948	1.6
229.14365	42.0
239.17738	1.4
240.18369	1.5
241.12331	1.6
247.15503	2.3
247.18149	1.3
257.19031	4.9
259.09729	3.7
269.11935	1.3
269.17514	26.1
275.20053	10.3
285.11063	1.4
287.12799	5.1
297.22238	3.6
298.22534	7.0
302.13852	2.7
311.12866	4.7
313.14444	1.7
314.09753	1.5
315.23257	4.7
316.23615	10.6
327.16037	1.9
329.13940	7.4
331.15643	2.9
333.24335	4.1
334.24612	5.9
337.14438	2.9
349.23743	28.5
355.15387	9.5
367.24838	20.5
373.16507	6.0
391.20001	2.4
413.21625	2.8
455.57480	1.4
564.30121	2.0
565.22791	3.8
582.24670	3.2
589.24713	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.2
54.68763	0.1
55.01874	0.2
55.05505	0.3
56.05033	0.4
57.03440	0.2
58.06380	0.2
58.06631	0.5
59.07382	0.2
60.04529	0.4
60.08167	6.5
61.02936	0.3
66.91701	0.2
67.05510	0.7
69.03434	0.4
69.07063	0.6
69.17715	1.8
70.06602	0.2
71.04990	0.3
71.07376	2.7
79.05502	0.7
81.03418	0.5
81.07059	1.0
83.04974	0.4
84.08131	0.2
85.02891	0.8
86.09711	31.2
91.05495	0.4
93.07049	0.5
95.04958	0.3
95.08611	0.5
97.02896	0.4
97.06538	3.3
98.06889	0.2
98.98466	2.9
104.10750	3.9
105.01865	0.2
105.07070	0.4
107.08578	0.4
109.06534	0.3
109.10160	0.2
111.04489	0.2
117.07068	0.2
119.08590	0.8
121.06497	0.4
121.10127	0.3
125.00011	21.5
127.03880	0.4
131.08560	0.2
133.10156	0.3
145.04985	0.2
145.10062	0.2
157.10187	0.2
159.11743	0.2
163.03894	0.2
173.13261	0.4
174.13544	0.2
184.07350	100.0
185.09581	0.2
191.07060	0.3
193.61353	0.2
258.10980	0.2
259.09576	0.4
287.12695	1.0
297.22186	0.4
298.22473	1.0
311.12845	0.4
313.14258	0.2
315.23129	0.5
316.23514	1.8
329.13879	0.4
331.15308	0.2
333.24271	0.3
334.24643	1.0
334.28268	0.2
355.15314	0.8
366.16882	0.2
373.16324	0.6
416.37411	0.2
437.04401	0.2
448.24661	0.2
452.24310	0.3
466.25589	1.9
514.29059	0.3
532.30292	0.9
536.25635	0.4
547.21039	0.4
550.32050	0.3
564.32922	1.1
565.22119	0.4
582.34436	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	582.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.7
56.96579	0.2
58.06639	0.5
60.08168	6.5
65.03948	0.1
67.05509	0.3
68.38975	0.1
69.07074	0.4
69.60644	0.9
70.59093	0.1
71.04994	0.3
71.07380	2.9
71.07769	0.3
79.05495	0.5
81.03420	0.2
81.07059	0.5
83.05019	0.2
85.02913	0.4
86.09709	30.3
89.04700	0.1
91.05499	0.3
93.07024	0.3
95.04955	0.3
95.08578	0.3
95.38277	0.1
97.06535	1.9
98.98472	2.9
104.10751	4.0
107.08609	0.2
113.43363	0.1
117.06966	0.2
120.14503	0.1
121.10150	0.2
125.00010	20.9
143.01062	0.3
149.09631	0.2
152.81039	0.1
163.03896	0.3
166.04944	0.2
184.07347	100.0
191.07039	0.4
258.10974	0.2
287.12787	0.8
303.16037	0.2
331.15509	0.3
337.08176	0.3
337.14465	0.2
341.53430	0.1
355.15317	0.4
373.16425	0.5
389.26108	0.1
404.42178	0.1
448.24429	0.2
466.19870	0.2
466.25720	2.7
488.14493	0.2
514.29254	0.5
532.13324	0.2
532.30298	1.3
550.31067	0.6
564.32861	1.3
582.34161	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	582.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.1
56.05038	0.6
57.03447	0.1
58.06628	0.4
59.68121	0.1
60.04510	0.2
60.08167	5.9
64.29969	0.1
66.33688	0.1
67.05501	0.5
69.03439	0.1
69.07066	0.5
69.29961	0.2
69.30361	0.8
70.06613	0.1
71.04998	0.2
71.07376	2.9
73.69145	0.1
77.99597	0.1
79.05489	0.4
81.03413	0.1
81.07050	0.4
85.02914	0.2
86.09708	30.3
91.05466	0.3
93.07064	0.3
95.08627	0.1
97.02924	0.1
97.06531	1.2
98.98468	3.0
99.08060	0.1
104.10740	3.7
109.10174	0.2
119.08608	0.1
125.00010	20.5
127.04046	0.1
143.01041	0.2
163.03873	0.2
184.07344	100.0
215.95880	0.1
258.11005	0.3
259.09686	0.2
287.12817	0.2
327.16245	0.1
355.15698	0.2
373.16367	0.3
412.20947	0.3
448.24255	0.1
466.25677	2.4
514.29535	0.6
532.30408	1.5
546.32336	0.2
550.31122	0.6
564.32983	1.1
582.25128	0.2
582.34058	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	582.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26257	0.1
55.05492	0.1
56.05037	0.4
57.03428	0.2
58.06581	1.5
59.07382	1.5
60.08167	5.9
60.23312	0.1
67.05505	0.9
70.35988	0.5
71.07375	2.8
78.78314	0.1
81.07055	0.2
86.09710	28.0
91.05485	0.2
97.06535	0.2
98.98466	2.6
104.10750	3.7
109.10139	0.7
125.00011	18.6
129.05481	0.1
138.50740	0.1
143.00970	0.1
155.10736	0.1
166.06392	0.1
173.11763	0.1
175.20522	0.1
184.07349	100.0
185.07622	0.1
195.14041	0.1
210.08873	0.5
229.14418	0.2
239.09200	0.8
258.11133	0.1
266.10980	0.1
299.11292	0.2
312.12137	0.3
331.10229	0.2
355.15057	0.1
394.19968	0.6
412.20956	5.3
440.23920	0.5
484.23148	0.2
491.81879	0.1
564.29175	0.4
582.30347	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98031	1.6
53.03939	3.3
55.05502	7.5
57.07077	4.4
60.20014	1.9
67.05515	15.1
69.03430	7.1
69.07078	12.8
79.05495	13.5
81.07065	19.3
83.04970	5.7
83.08632	4.2
91.05488	20.4
93.07047	28.6
95.04959	7.9
95.08609	19.0
97.06506	3.5
98.20734	4.8
103.05493	1.7
104.21214	1.7
105.07044	38.5
107.08604	24.3
109.06532	7.3
109.10139	13.6
111.08116	1.9
111.11733	2.2
117.07029	7.5
119.08580	33.9
121.06541	6.9
121.10155	39.6
123.08089	13.4
123.11746	5.2
125.05993	3.1
128.06236	7.0
129.07021	7.7
130.07822	3.4
131.08559	16.5
133.06525	3.2
133.10141	38.5
135.08092	6.4
135.11702	10.3
136.31723	2.3
137.09642	5.3
139.11194	2.5
141.07027	2.9
142.07811	10.8
143.08575	18.2
144.09358	4.5
145.10123	26.1
147.08066	12.9
147.11676	11.0
149.09637	13.7
149.13112	2.1
151.07562	14.6
155.08539	9.5
156.09389	9.7
157.10132	28.6
158.10953	4.4
159.08035	3.5
159.11687	16.2
161.09627	5.2
161.13313	4.3
163.11192	6.8
163.62537	2.0
165.07034	3.4
165.09129	18.2
166.07838	2.2
167.08545	5.3
167.10704	25.7
168.09416	4.3
169.10147	13.3
170.10976	3.4
171.11693	14.4
173.09656	5.9
173.13278	19.0
175.11238	3.9
175.14871	4.7
179.08577	5.5
180.09373	4.9
181.10207	9.3
181.12257	7.4
182.10898	3.3
183.11719	12.7
185.09666	3.1
185.13303	8.2
187.11249	3.0
187.14822	9.7
189.12793	4.9
192.09323	4.0
193.10205	6.8
193.76212	1.7
194.10982	3.0
195.08284	2.0
195.11726	9.4
196.12488	4.2
197.11723	1.9
197.13260	9.7
197.14850	2.0
199.11281	3.4
199.14880	6.7
201.12720	2.7
203.14349	7.0
205.10332	2.4
206.10841	5.2
207.11781	7.8
207.13878	7.0
209.13353	10.4
209.15135	1.9
211.11185	4.0
211.14885	6.5
213.12778	2.4
213.16359	3.6
215.14404	3.7
217.10289	2.7
219.11766	4.7
220.12451	4.6
221.13309	7.7
221.15349	40.4
223.14824	3.3
225.12741	2.7
225.16472	2.2
227.14449	4.6
231.11757	4.5
232.12688	2.1
233.13287	6.9
233.15456	9.7
235.14920	5.1
237.16475	4.8
239.18018	3.1
241.19739	2.0
243.11803	2.9
245.13286	4.2
246.13995	2.4
247.14885	4.2
249.16339	2.7
255.17546	2.0
257.13391	3.3
258.14056	3.2
259.14767	2.4
261.16415	3.4
263.18033	3.8
265.15884	2.6
269.19019	2.0
271.14752	2.7
275.18063	2.0
289.19733	2.6
312.20764	9.5
336.58078	1.9
359.23788	2.8
373.25391	4.2
393.24268	3.0
401.28296	2.5
553.40814	2.5
563.38763	16.3
581.39941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45934	0.8
51.82114	0.8
53.03944	3.5
55.01874	2.1
55.05513	4.8
57.03440	1.5
57.30793	0.9
57.46274	0.8
60.04517	2.7
61.02058	0.8
61.02921	1.0
64.65295	0.9
67.05517	6.0
67.49272	0.8
68.99765	1.1
69.03437	9.4
69.07052	5.1
70.17735	3.7
71.04981	1.8
73.02917	1.2
79.05495	7.4
81.03422	10.7
81.07050	15.4
83.04976	3.0
83.08636	1.5
85.02909	18.6
85.06544	1.5
86.09694	2.4
87.00821	6.6
87.80396	0.8
91.05479	7.5
93.07044	12.7
95.04933	1.2
95.08616	15.9
97.02892	8.7
97.06532	33.5
98.21555	0.9
99.04462	4.3
105.01865	7.3
105.07040	16.0
105.87391	0.9
107.04978	1.7
107.08604	11.8
109.02887	9.4
109.06519	9.6
109.10155	5.8
111.08089	1.2
117.07011	4.1
119.08584	22.8
121.06506	4.5
121.10142	13.4
123.08060	7.8
123.11703	3.6
125.00036	2.3
125.05993	2.0
125.09622	1.5
127.03923	15.8
128.07109	1.4
129.01825	1.4
129.06996	2.9
131.08563	13.7
133.06503	1.6
133.10141	9.3
135.08080	1.6
135.11711	4.7
137.09599	2.3
137.13223	1.0
141.06961	0.9
143.08557	6.1
144.09338	3.9
145.04935	4.0
145.10139	11.8
147.02843	1.0
147.08041	3.4
147.11711	5.7
149.09625	7.0
149.13286	12.1
155.08588	3.4
157.10146	6.4
158.10966	1.4
159.02881	3.4
159.08073	1.2
159.11694	7.4
161.09656	4.1
161.13266	13.0
163.00137	0.9
163.03899	1.0
163.11201	1.8
163.14813	3.4
165.12747	1.9
169.10104	4.3
171.11713	5.2
173.09648	7.8
173.13272	43.7
175.11237	4.4
175.14835	3.4
177.12744	4.3
181.10199	1.6
183.11679	4.6
184.07346	7.6
185.13252	4.3
187.11159	2.8
187.14868	3.0
189.12752	2.6
189.16382	1.1
191.14346	4.3
194.15964	0.9
195.11743	2.1
197.09920	1.0
197.13239	4.5
199.14867	4.6
200.18593	0.8
201.12817	3.7
201.16409	3.3
209.13268	6.4
210.14867	1.9
211.14828	1.2
213.12787	1.2
213.16394	2.3
215.14328	3.5
217.15889	1.0
219.17265	0.9
223.14856	3.3
227.14346	3.7
227.17873	1.7
229.15910	1.4
231.04941	2.8
237.16382	2.1
239.17947	8.1
241.15767	4.6
250.17220	1.3
251.18089	1.2
253.15945	1.8
253.19450	4.1
255.21059	3.1
257.18970	1.7
267.17526	1.1
268.18237	3.2
269.22641	2.6
271.20541	5.4
279.21097	20.0
281.22324	1.2
282.19855	1.6
297.22153	74.0
299.23621	1.6
315.23196	100.0
330.69119	0.9
333.24258	66.7
337.21265	1.0
547.38538	0.9
581.24750	3.8
581.33698	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	581.1505
Annotation	Kaempferol 3-lathyroside
Peak:m/z	Relative Intensity
50.04982	0.1
55.01862	0.2
57.03433	0.6
61.02930	1.1
63.68053	0.1
67.26864	0.1
68.99783	0.3
69.03415	0.5
69.79346	0.3
69.79734	0.6
70.06580	0.5
71.01359	0.2
72.08151	0.1
73.02919	7.7
79.05492	0.2
84.04505	0.3
85.02915	0.7
97.02872	0.3
98.21426	0.2
107.04906	0.1
109.02887	0.2
111.00822	0.5
115.03927	0.7
121.02850	1.5
133.02856	0.2
133.04962	0.2
135.04393	0.2
137.02316	0.5
147.04393	0.5
153.01826	2.4
157.06421	0.2
163.03929	0.2
165.01837	1.2
166.64725	0.1
168.05803	0.1
183.02957	0.5
185.05902	0.3
213.05455	1.0
216.70740	0.1
231.06485	0.6
241.04973	0.9
258.05298	0.9
259.06213	0.2
287.05496	100.0
288.05893	0.5
299.05499	0.3
329.06705	0.2
364.07431	0.2
390.16693	0.1
401.08685	0.2
449.10822	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	581.1507
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
51.90787	0.3
53.86713	0.2
55.05518	0.3
57.03203	0.3
57.03445	3.1
61.34230	0.3
68.50132	0.3
69.03417	0.5
69.07076	0.3
69.07813	0.2
69.44357	2.1
70.06590	2.1
71.04998	19.4
72.08143	0.6
73.02903	0.5
75.04475	0.4
83.04964	0.6
84.08121	0.5
85.02910	19.2
86.09700	1.6
87.04459	0.6
91.05486	0.5
98.00645	0.3
98.97551	0.4
109.02904	0.4
111.00774	0.6
111.04433	0.4
120.08094	0.4
121.02850	0.8
129.05487	4.7
129.10286	0.3
136.07578	0.3
137.02362	2.8
137.05978	0.3
147.06516	0.7
149.02364	0.5
153.01854	2.6
161.05942	0.3
163.03941	0.4
165.01836	1.2
183.02946	0.6
195.02939	0.3
199.18097	0.3
201.05460	1.3
219.06477	0.3
229.04958	2.9
236.65460	0.3
245.04378	0.3
247.05957	0.6
248.04144	0.3
249.00378	0.3
257.04462	1.8
274.04776	0.7
285.03949	0.8
303.05002	100.0
304.05225	0.3
341.11072	0.3
345.05707	0.3
361.14188	0.3
435.09210	15.0
449.10294	0.4
464.73624	0.3
579.18896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1505
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
53.03951	0.5
55.01865	0.4
55.05500	0.4
57.03439	2.8
62.16354	0.3
67.05486	0.3
68.53626	0.3
69.03408	0.4
70.06605	3.1
71.04996	19.0
71.53873	0.5
72.08139	0.6
73.02936	0.6
74.06082	0.4
75.04491	0.4
76.02216	0.4
79.05512	0.3
81.03400	0.3
81.07085	0.5
83.04972	0.5
84.04517	0.6
84.08142	0.5
85.02906	20.2
86.09717	2.1
87.04476	0.4
91.05468	0.4
93.03405	0.4
95.04910	0.3
95.08600	0.3
97.02917	0.5
98.06068	0.3
111.00791	1.0
111.04444	0.4
111.37502	0.3
120.08122	0.5
121.02875	0.9
129.05482	5.4
129.10242	0.4
137.02339	1.9
147.06537	0.4
149.02371	0.4
153.01863	2.4
163.03835	0.6
165.01901	2.0
170.53320	0.3
177.05560	0.3
183.02995	0.3
195.02893	0.4
199.18062	0.4
201.05505	1.1
228.61749	0.3
229.04996	3.1
247.06099	0.7
257.04523	2.4
274.04813	0.7
284.72540	0.3
285.03915	1.1
287.05185	0.5
303.04999	100.0
345.05853	0.7
435.09204	13.7
449.10577	0.6
581.27484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1501
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
50.25097	0.3
53.18678	0.3
56.96560	1.0
57.03440	2.0
59.04998	0.5
60.04123	0.3
61.02652	0.3
61.02922	2.1
68.99793	0.3
69.03433	6.7
69.88853	1.5
71.04976	0.3
73.02914	0.8
73.35435	0.3
81.03404	1.3
81.07038	0.3
82.55107	0.3
83.08618	0.3
85.02440	0.5
85.02912	6.0
86.08009	0.3
87.04473	3.8
87.59717	0.3
91.03949	1.1
91.05472	0.5
93.07010	0.3
94.04825	0.3
95.04996	0.4
95.08620	0.3
97.02897	6.0
98.97567	1.5
109.02929	0.4
110.97583	0.3
112.99035	0.3
115.03935	4.8
121.02866	2.1
127.03915	0.9
131.00203	0.5
133.02913	0.5
133.04965	4.8
133.14787	0.3
137.02312	0.7
137.05983	0.3
145.04941	0.7
147.03149	0.4
147.04407	0.4
149.01205	0.8
153.01830	3.5
156.03642	0.4
157.06435	0.5
158.99722	1.0
163.06001	0.4
165.01842	1.3
169.04893	0.3
177.00711	0.6
183.02859	0.7
185.06061	0.5
187.07982	0.4
199.02774	0.4
213.05501	0.9
214.95534	0.3
219.01894	0.4
231.06618	0.6
241.05038	0.9
243.08904	0.6
255.11266	0.3
258.05304	1.1
267.09088	0.7
268.10712	0.5
285.10110	0.4
287.05515	100.0
288.05914	0.7
293.05493	0.5
299.05563	0.7
303.04950	1.3
324.11508	5.7
324.61841	0.7
329.06625	0.8
340.12885	1.6
349.13351	3.4
349.63562	0.8
353.06567	0.7
407.23373	0.4
431.09702	0.4
449.10712	0.8
484.27637	0.3
491.29034	2.4
553.54480	0.3
582.08337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07306	1.6
53.03952	3.1
55.01878	10.4
55.05515	16.3
57.03444	13.0
57.07079	2.7
59.04992	2.1
59.09261	1.4
61.02920	5.9
63.89632	1.4
65.03935	2.9
67.05510	62.9
69.03429	5.6
69.07073	40.3
70.18218	3.2
70.18617	3.4
71.04987	4.7
73.02911	3.9
77.76011	1.6
79.05499	30.9
81.03432	11.6
81.07063	48.7
83.04987	7.7
83.08623	11.6
85.02901	10.7
85.06561	5.6
87.04448	1.4
91.03993	3.5
91.05488	38.2
93.07048	33.3
95.04961	9.5
95.08615	35.8
97.02900	6.8
97.06537	17.6
97.10166	4.9
98.21455	1.5
99.05415	1.5
99.08080	2.3
103.03967	2.1
103.05432	1.7
105.07041	28.0
107.04956	9.0
107.08607	19.5
109.06551	5.3
109.10160	32.3
111.04436	2.0
111.08101	4.7
117.07051	10.9
119.08591	22.1
121.06509	4.6
121.10149	12.5
123.08074	5.4
123.11708	4.4
125.09638	6.1
127.03922	1.7
129.05479	1.9
129.07024	4.5
131.08582	13.9
133.10150	20.6
135.08054	3.6
135.11728	10.6
137.09608	9.7
143.08519	3.0
145.10152	10.9
147.08052	2.7
147.11722	11.0
149.09621	15.3
149.13303	2.0
151.11180	4.4
155.08633	2.1
155.10706	2.5
157.10135	4.5
159.11719	11.6
161.09619	1.8
161.13283	5.6
163.11133	8.6
169.12291	2.1
171.10188	9.8
171.11603	2.7
173.11739	10.6
173.13286	6.1
175.11218	2.5
177.12785	6.2
179.14316	3.4
183.11720	2.8
184.07494	2.1
187.11162	2.4
189.11191	2.0
193.12282	2.0
197.13277	2.0
227.12840	2.0
229.14346	29.2
229.19385	2.9
239.17969	3.7
243.16002	7.7
247.20613	3.7
253.18040	5.5
255.15918	4.7
255.95889	1.8
257.19040	6.3
267.15936	3.3
269.17416	2.7
271.15497	2.1
275.20062	37.3
285.17075	2.0
291.19547	6.8
293.21112	3.3
319.51147	1.8
331.22827	1.7
349.23761	100.0
356.15417	1.8
365.22739	1.6
367.24716	10.4
383.24060	2.7
418.27676	2.1
576.88312	1.6
580.32745	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	579.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01868	4.7
55.05513	8.9
57.03429	4.9
57.07066	3.9
65.03934	1.5
67.05508	66.4
69.03419	4.3
69.07076	9.9
69.25254	8.5
71.04993	2.4
73.02917	3.4
75.04482	1.1
79.05499	31.1
79.57429	1.1
81.03429	6.7
81.07059	72.4
83.04984	2.2
83.08627	6.0
85.02905	3.5
85.06535	1.7
91.04967	1.9
91.05485	19.0
93.07047	47.3
95.04981	1.6
95.08612	56.3
97.02887	3.7
97.06487	1.9
97.10155	3.3
98.20731	2.0
99.04462	3.1
99.08096	2.0
99.16095	1.1
105.06398	2.0
105.07035	19.1
107.08595	27.9
109.02883	6.9
109.10164	31.4
110.03652	3.9
111.04453	4.1
111.08064	1.4
113.09630	1.4
117.07021	8.7
119.08586	14.5
119.21112	1.0
121.10146	35.5
123.08047	2.1
123.11705	19.5
127.03900	4.4
129.06970	2.1
131.08572	19.9
132.99567	2.0
133.10126	15.4
135.11697	24.3
137.09634	1.6
137.13297	5.5
139.11171	1.4
145.10127	14.2
147.11723	10.3
149.13275	16.7
151.11191	1.7
151.14799	2.3
153.12787	1.8
157.10133	1.6
159.11696	13.5
161.13266	11.0
163.14804	12.4
173.13281	15.5
175.14818	4.8
177.12796	2.1
177.16402	5.3
179.14326	3.4
187.14827	9.6
191.00078	2.9
201.16373	3.5
205.15919	1.6
214.12907	1.0
220.64072	1.1
233.22685	3.8
243.21089	27.1
259.20563	1.8
261.22147	100.0
263.23740	1.6
279.23145	7.0
303.23199	2.4
317.24802	2.9
335.25787	22.0
353.26880	93.0
369.24072	2.2
377.26703	2.8
402.68570	1.0
425.27200	1.3
433.20090	1.7
443.28085	1.3
451.21503	3.0
469.22641	2.0
487.23257	1.6
507.23941	1.3
561.27338	11.3
579.28400	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	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01869	2.0
55.05514	4.3
56.05035	4.8
57.03422	2.6
57.07067	1.0
58.02942	0.9
58.06604	0.8
59.02856	0.7
60.04527	96.1
61.02928	2.1
67.05511	13.2
68.99769	1.0
69.03432	12.6
69.07076	6.0
70.06567	2.3
71.05000	3.4
71.54192	1.3
72.04510	3.7
73.02918	2.6
74.06078	3.0
79.05505	7.6
80.04999	1.5
81.03421	11.3
81.07058	15.4
82.06578	2.1
83.04994	1.6
83.08622	2.2
84.04507	1.7
84.08146	6.8
85.02907	22.4
85.06548	7.3
86.06065	2.2
86.09685	4.3
87.00823	6.7
90.05572	1.9
91.05484	7.0
93.07056	8.4
94.06601	1.7
95.04962	2.2
95.08606	11.2
96.08150	1.7
97.02892	7.0
97.06525	6.8
97.10162	1.5
98.06065	1.0
98.98425	1.0
99.04467	4.3
100.07658	0.9
102.05540	1.4
102.09206	3.9
104.07104	2.5
104.10770	1.1
105.01871	4.1
105.07028	4.9
107.08620	4.8
108.08118	1.1
109.02873	9.6
109.06504	1.3
109.10152	7.2
110.56593	0.9
111.11716	0.8
112.07613	0.9
115.03962	1.2
117.07048	1.3
119.08589	3.2
121.06496	1.0
121.10151	4.3
123.08070	1.1
123.11705	1.9
125.00040	1.8
127.03931	13.2
129.01797	1.1
131.07039	1.0
131.08578	3.0
133.10124	2.3
135.08131	1.0
135.11697	3.7
145.04922	3.3
147.11697	1.6
148.09683	7.2
149.09650	1.0
149.13251	1.2
153.01820	0.9
159.02930	2.2
159.11725	1.8
165.07008	28.0
165.12637	0.9
166.98874	0.7
173.80118	0.9
184.07343	8.6
186.07463	0.8
260.23920	2.0
266.12442	1.5
278.24796	8.0
296.25873	10.8
302.03918	1.3
310.11453	2.3
313.03482	1.3
314.03864	2.3
314.23282	1.2
314.26920	28.1
332.27948	72.9
336.28976	1.1
351.90314	0.8
356.08630	1.1
374.29175	3.1
382.29437	7.9
399.10699	2.9
400.11185	5.8
400.30600	8.0
417.11786	2.2
418.12128	6.5
439.19843	1.0
494.33047	1.6
526.30280	1.6
536.34296	8.0
544.31482	1.6
562.32135	5.7
580.24500	5.2
580.33264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01867	3.4
55.05517	19.7
57.03430	9.0
57.03709	2.3
57.07062	6.1
65.03946	3.9
66.91869	2.3
67.05507	84.7
69.03423	6.0
69.07077	21.0
71.04998	4.5
75.04463	2.3
79.05089	2.9
79.05500	43.8
81.03413	10.0
81.07063	92.8
83.05013	3.6
83.08620	14.8
85.02909	4.9
85.06544	4.0
91.05482	27.5
93.06486	3.4
93.07053	55.7
95.04994	4.6
95.08619	70.4
95.48730	2.3
97.02895	2.3
97.06548	4.1
97.10151	6.2
98.84900	2.2
98.98479	44.5
99.08096	3.1
100.76755	2.2
105.07034	21.4
107.08597	39.5
109.02895	12.2
109.10167	38.1
110.03661	3.9
111.04495	3.5
111.08056	5.3
117.07030	11.9
119.08588	18.2
119.83660	2.8
121.10155	35.5
123.08070	2.7
123.11732	15.6
127.03889	3.2
129.06970	2.8
131.08562	22.1
133.10135	21.0
135.11708	29.3
137.09601	5.3
137.13243	5.5
145.10112	16.1
147.11716	13.4
149.09708	2.8
149.13272	20.5
151.14861	6.0
153.12720	2.3
155.01039	40.1
159.11699	16.3
161.13249	10.4
163.14871	12.4
165.12813	2.7
167.52098	2.9
173.13307	15.3
175.14832	5.3
177.16403	5.7
185.13228	2.5
187.14841	9.0
191.00140	3.0
201.16396	2.7
233.22629	2.9
243.21117	27.5
245.22661	7.5
259.20697	2.5
261.22153	100.0
263.23740	20.7
277.21722	2.5
279.23364	2.9
280.08099	2.7
303.23141	2.8
317.06226	6.7
335.25873	13.0
337.27374	39.6
341.42801	2.4
353.26877	90.0
377.26987	4.2
425.28674	4.8
451.21487	2.9
543.36926	3.2
561.27173	7.7
561.37177	4.4
579.37341	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	579.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01871	3.8
55.05512	7.8
57.03427	2.9
65.03934	2.0
67.05177	2.1
67.05509	27.7
69.03435	3.3
69.07069	8.7
69.33251	12.3
71.04991	2.4
79.05077	2.5
79.05496	35.0
81.03425	20.2
81.07061	30.6
83.04990	7.5
83.08607	8.3
85.02910	2.7
85.06516	2.4
89.03896	5.5
91.05491	34.5
93.07049	27.4
95.04990	8.3
95.08609	16.0
97.02892	2.7
97.06525	5.2
97.10155	3.1
99.08088	2.1
103.05469	2.9
105.07031	24.7
107.04980	7.6
107.08602	12.3
109.06516	3.4
109.10140	6.2
110.03715	1.5
111.04456	2.5
111.08058	3.4
115.05480	2.1
117.03375	5.7
117.07006	5.4
119.08585	17.6
121.06511	2.8
121.10162	8.5
123.08096	1.5
123.11698	3.7
129.07007	11.6
131.04823	1.8
131.08575	13.2
133.02792	2.6
133.06468	1.7
133.10146	24.4
135.04436	11.4
135.08041	2.4
135.11687	5.3
137.09612	2.2
141.07019	2.4
142.07722	1.7
145.02841	8.6
145.10121	3.3
147.04405	2.4
147.08025	3.0
147.11685	19.5
149.06024	2.2
149.09616	5.6
149.13255	3.1
157.06485	5.2
157.10143	13.5
159.04411	6.8
159.11684	5.5
161.02391	12.7
163.03915	59.5
163.14786	2.2
165.12746	2.7
169.06519	2.0
171.04416	1.8
173.02330	13.9
173.05966	2.3
175.11188	20.6
176.11963	16.7
177.12758	6.5
181.06505	2.4
185.05989	5.9
187.03925	42.9
189.05458	3.4
193.12245	21.5
195.20222	1.6
197.05981	1.7
199.03954	15.1
201.05453	7.9
203.03426	2.0
207.13795	4.1
211.07437	2.7
213.05479	27.9
215.07135	1.7
225.05508	9.0
225.14821	6.4
227.07100	4.6
229.14287	2.5
239.07045	8.5
243.21072	2.0
249.05536	2.1
253.08504	3.0
261.22150	4.9
267.13794	3.8
275.20154	2.5
276.20404	2.0
299.05429	4.7
305.09595	1.6
309.14716	4.3
311.12830	3.6
311.16324	2.8
319.13467	9.2
327.15771	2.2
335.25711	1.9
337.14371	100.0
349.23730	3.6
350.23969	6.9
353.26559	2.3
355.11334	2.4
355.15393	28.8
369.16995	36.3
373.16379	2.0
384.30038	1.7
387.17947	3.3
561.24359	2.8
565.97272	1.8
579.25146	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	579.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01883	4.4
55.05528	11.9
57.03429	4.8
65.03921	2.5
67.05508	33.4
69.03426	4.0
69.07067	8.2
69.64627	15.0
71.04985	4.9
72.82596	2.1
76.18712	2.2
79.05498	35.3
81.03424	19.4
81.07057	31.5
83.04974	8.6
83.08612	7.0
85.02891	5.4
85.06547	3.0
85.68442	2.4
89.03928	5.4
91.05486	39.3
93.07048	18.8
95.04971	10.6
95.08603	15.3
97.06521	6.7
105.07037	21.0
107.04953	8.1
107.08604	11.8
109.02905	3.2
109.06544	3.9
109.10143	9.5
111.04436	2.9
111.08069	5.4
113.09679	1.8
115.05482	6.2
117.03386	6.5
117.06985	4.4
119.08584	19.4
121.10152	8.0
123.11671	2.5
129.07019	13.3
131.08534	14.5
133.02849	3.7
133.10139	27.3
135.04440	12.2
135.08046	3.7
135.11668	6.1
137.09653	2.8
142.07774	3.2
145.02831	9.9
145.10161	6.2
147.11678	26.6
149.02377	3.7
149.09607	3.4
149.13249	3.0
157.06401	3.4
157.10147	10.7
159.11713	4.8
161.02371	9.9
161.05939	2.3
163.03918	62.8
163.15012	2.4
173.02396	11.5
173.03719	2.3
175.11183	19.6
176.11983	17.9
177.12781	4.5
179.14343	5.2
184.07370	3.2
185.06076	4.3
187.03926	41.3
189.05466	2.6
193.12282	18.3
199.03955	11.0
201.05452	5.8
207.13763	7.8
211.13300	2.4
213.05473	18.8
225.05499	7.7
225.14848	6.3
227.06898	2.3
239.07034	10.6
243.21185	2.4
245.04321	2.7
253.08586	2.5
261.22104	4.0
303.04984	14.3
309.14844	5.5
319.13300	7.4
337.14334	100.0
353.26666	2.8
354.17340	5.4
355.15521	6.5
369.16977	36.3
405.29950	4.8
414.98407	2.4
561.24487	5.2
579.13824	5.6
579.33386	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
56.96563	0.7
57.03430	0.8
61.02928	1.1
67.05497	1.3
69.03441	0.6
70.06586	1.3
71.39597	0.8
73.02893	0.8
75.76562	0.5
79.05499	2.0
81.03416	1.3
81.07068	1.9
83.04994	0.6
84.08132	0.5
85.02918	2.2
91.03954	0.7
91.05521	1.5
93.07066	1.3
95.05008	0.7
95.08632	1.6
97.02903	0.6
97.06525	3.3
105.07005	1.3
107.08675	0.8
109.02898	0.6
109.10165	1.3
111.04449	0.7
112.33408	0.5
112.52349	0.5
114.00416	0.5
119.08584	1.2
121.10215	0.9
127.03922	0.8
133.10179	0.8
143.08662	0.7
145.10181	0.5
153.01875	0.6
163.04063	0.6
163.11201	0.9
164.11453	0.5
167.07027	0.7
218.08458	0.5
243.04671	0.6
285.04065	0.6
290.87173	0.6
299.05542	1.0
301.03522	1.9
303.05151	1.7
313.03418	4.5
326.04224	0.6
331.19046	2.6
343.17517	0.5
347.03412	0.5
355.08200	3.9
373.19174	0.6
381.22849	0.7
382.23068	1.8
399.10776	10.8
417.11813	11.7
493.24026	6.8
517.23743	0.6
535.24982	16.4
579.24139	100.0
580.24298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85126	0.6
55.05506	1.4
57.03438	1.7
59.05005	0.7
59.08025	0.6
61.02909	1.3
67.05499	2.8
69.03415	2.0
69.07066	1.8
70.06623	1.3
70.88035	0.8
70.88352	1.0
71.04994	1.0
72.08161	0.9
79.05505	2.2
81.03425	1.6
81.07061	2.4
83.04977	2.1
83.08657	1.0
84.08157	1.0
85.02928	3.6
85.06558	0.8
86.09722	1.1
91.03977	0.7
91.05470	2.0
93.07036	2.1
95.04934	1.1
95.08607	2.6
97.02924	1.8
97.06543	7.4
98.97546	0.9
99.26466	0.7
105.07027	1.9
107.08597	2.2
109.02856	0.8
109.06522	1.2
109.10189	1.3
111.04496	0.7
116.98672	0.9
119.08513	0.7
121.10149	1.6
123.08095	1.0
127.03902	1.3
129.07095	0.7
131.08545	1.4
133.10173	1.0
135.08105	0.9
135.11754	0.9
145.10162	1.4
147.11737	0.8
153.01828	1.0
157.10153	1.1
163.11253	0.7
177.05399	0.7
184.07439	0.8
186.96544	0.8
189.05496	0.9
193.12210	0.8
199.04031	0.8
215.07069	0.8
217.04951	1.0
229.04944	0.9
245.04509	1.4
259.09775	1.2
271.04263	1.0
273.04044	0.9
277.21634	1.0
285.03790	0.8
287.05606	0.9
295.22647	1.3
299.05530	2.1
301.03314	3.2
303.05005	2.3
311.12836	2.1
313.03433	6.8
325.07153	0.9
327.08722	1.1
331.19028	2.8
355.08139	6.8
355.15305	0.9
381.22864	1.3
382.23123	3.0
387.18707	0.8
399.10776	20.0
417.11823	22.5
475.22916	0.8
493.24374	6.1
535.24878	18.1
561.23083	1.0
579.24146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2077
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
50.78286	0.2
52.60795	0.2
53.03942	0.4
53.46417	0.3
55.01868	0.5
57.03426	0.5
61.02914	0.5
65.03931	1.1
67.04224	0.2
67.05494	0.4
69.03432	1.6
69.16807	2.4
70.06588	0.2
78.04723	1.8
79.05482	1.2
80.72338	0.2
81.03416	0.6
82.04189	0.4
82.16563	0.2
84.08147	0.3
85.02917	2.3
86.09707	0.5
91.05475	1.1
93.03400	0.6
95.04963	0.8
97.02874	1.2
97.06527	0.5
99.04457	0.3
103.05458	0.9
106.04165	0.9
107.04937	0.9
109.02880	0.5
110.03669	0.5
115.05454	2.9
117.07028	6.1
122.03667	0.4
123.04451	5.7
124.05257	1.9
125.05958	0.6
127.05424	0.7
131.04922	0.4
133.06419	0.3
137.05956	0.6
142.02643	0.8
145.06502	9.1
145.07663	0.5
147.08035	0.5
151.03905	0.9
152.04668	1.4
153.05490	0.6
155.04883	0.3
155.06052	4.0
161.05986	0.3
165.26326	0.2
167.07045	100.0
168.07343	0.4
171.06458	0.6
173.05994	20.7
175.07506	0.9
181.04961	20.8
190.06387	0.3
201.05547	0.9
205.08611	4.9
207.10095	0.4
209.15468	0.3
221.07933	0.3
233.08098	4.6
233.45338	0.3
235.07536	0.4
235.09679	3.9
280.07321	0.3
309.27802	0.3
355.11914	0.3
387.14413	13.6
417.10922	0.2
417.15454	10.5
579.20758	59.2
580.21216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01459	6.8
52.87446	6.7
53.90828	6.7
54.43091	6.7
56.96572	9.2
67.05478	11.1
69.03426	10.1
70.06583	33.1
70.52719	17.4
70.95625	5.9
79.05484	7.3
81.03456	16.3
81.07086	10.4
83.04953	8.9
84.08141	15.4
85.02913	34.8
86.09708	15.8
91.05479	14.2
97.02883	23.3
98.97601	14.3
99.71133	7.3
107.04951	26.0
109.06537	7.8
110.07148	6.1
110.25433	6.7
116.98653	6.5
119.04927	13.1
121.02878	55.0
121.06464	7.5
127.03900	8.3
129.10300	7.3
130.51540	6.9
131.08583	8.4
135.04398	20.6
137.02365	42.2
140.05772	7.1
145.06509	8.4
147.04410	32.2
159.04425	11.4
161.05991	15.3
163.03897	7.6
165.01755	8.7
173.02264	8.2
173.05998	10.7
177.01886	22.1
177.05547	11.0
184.37733	6.9
187.03879	7.1
189.01831	19.4
195.02881	28.2
195.08714	9.6
197.08047	7.1
201.05482	15.2
203.03459	14.9
205.01331	8.5
205.04736	7.9
207.02888	28.1
215.03387	19.5
219.02911	75.3
221.04439	13.4
223.02348	10.2
223.06192	10.2
225.03871	10.2
226.44118	8.4
229.05028	19.6
231.02945	54.7
233.04524	17.2
243.02908	30.3
245.04543	15.6
249.03902	20.8
255.03084	8.9
257.04388	23.2
261.03964	100.0
271.06018	10.7
273.03873	27.4
276.26746	7.4
285.03900	59.4
291.04950	15.2
297.03903	22.8
297.07611	16.7
299.05444	9.1
303.04977	24.1
309.04221	10.0
321.05991	20.5
327.04929	57.1
327.08670	21.3
339.07983	27.7
345.05859	12.9
351.08661	24.4
363.07196	39.7
375.07019	10.5
381.09625	41.7
387.07202	8.1
389.11966	10.1
393.09253	19.6
405.08157	43.3
417.11850	48.1
423.10034	19.7
429.12039	32.9
429.17108	9.4
433.11227	68.8
436.05844	7.8
441.10699	49.7
447.10812	33.3
459.12613	44.6
465.11719	12.5
483.12628	28.6
495.12610	23.7
507.12744	10.6
525.13470	17.7
543.15057	18.3
579.21881	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	578.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87813	0.4
53.03941	0.5
54.56791	0.4
55.01880	1.1
55.05499	1.9
57.03442	3.3
57.07070	0.6
61.02914	0.4
67.05495	1.8
69.03427	1.3
69.07063	1.8
69.23944	3.5
70.74932	0.4
71.04998	14.4
72.44672	0.4
75.04456	0.7
79.05486	1.7
81.03411	1.8
81.07068	3.4
82.07404	0.4
83.04978	0.7
83.08634	1.0
85.02908	15.0
85.06537	0.8
86.09707	0.7
87.00839	0.4
91.05480	1.5
93.03410	0.5
93.07036	1.4
95.04964	0.5
95.08606	3.7
97.02888	0.9
97.06525	1.9
97.10149	1.3
98.21566	1.0
105.01849	0.8
105.07047	1.2
107.01315	1.1
107.04943	0.9
107.08575	1.5
109.02912	0.9
109.06506	0.9
109.10151	1.7
111.04440	0.9
111.08035	0.5
111.11745	0.6
116.10704	0.5
117.07000	0.5
118.95707	0.4
119.08586	1.0
121.02915	0.7
121.06515	0.9
121.10129	0.7
123.04454	0.4
123.11674	0.7
125.09589	0.7
127.03928	0.8
129.05469	2.9
130.06551	1.9
133.10153	0.5
135.08080	0.5
135.11661	0.5
136.06084	0.5
137.02336	6.0
137.09595	0.4
145.04846	0.4
145.06523	0.4
145.10141	0.5
147.11684	0.7
149.09502	0.5
153.09070	0.5
159.08070	1.3
163.03915	1.4
163.14850	0.6
165.01865	2.8
183.02960	0.8
184.07407	1.0
189.05498	2.5
199.03943	0.5
213.05482	0.7
214.18040	2.3
215.18335	1.6
217.05003	1.0
241.04759	0.5
245.04475	3.7
259.06168	0.7
259.09531	0.6
264.12448	0.7
269.04526	0.9
271.16919	0.6
273.03915	0.6
287.05359	0.5
289.17953	1.1
299.05432	3.4
300.05832	0.9
313.03467	1.0
314.03714	1.4
315.04984	100.0
316.05310	0.7
355.07950	1.1
356.08453	1.7
363.21591	0.7
381.22574	1.2
399.10715	0.7
400.11249	1.4
416.11200	0.8
431.13354	1.5
432.10498	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.0
55.05517	40.0
57.03428	13.7
57.07083	11.6
59.05000	6.8
67.05177	6.2
67.05510	78.7
69.03444	5.8
69.07074	26.7
71.04982	14.4
71.36684	6.0
78.64835	3.5
79.05502	53.9
81.03423	22.5
81.07061	100.0
83.04977	15.4
83.08596	19.0
85.02920	5.5
85.06539	6.7
87.04476	8.2
88.04832	5.2
91.05493	45.8
93.07052	63.5
95.04975	15.6
95.08604	53.2
97.02912	4.2
97.06536	14.0
97.10176	13.6
99.08160	4.5
105.07038	52.0
107.08602	37.5
109.06510	5.4
109.10170	33.7
111.04441	9.5
117.07030	17.0
119.08607	34.2
121.10149	28.8
123.08099	6.0
123.11705	10.3
125.09624	12.5
127.03966	4.9
129.07005	11.9
131.08565	30.1
133.10141	30.4
135.11700	16.0
143.08572	11.8
145.10130	29.5
147.11731	21.1
149.09660	4.5
149.13286	11.6
155.08560	7.3
157.10146	13.3
159.11717	20.7
161.13283	12.6
163.11217	8.3
169.10072	6.2
171.11684	11.1
173.13280	12.2
175.14803	5.7
177.42323	3.5
183.11702	8.3
185.13243	10.2
187.14873	5.3
189.11235	8.5
190.97398	3.9
193.12363	6.1
197.13295	8.2
209.13370	5.0
213.16339	4.5
227.12827	11.2
261.22202	12.2
267.15860	24.5
289.21643	7.5
301.25256	12.0
335.25955	23.1
363.25369	5.7
435.32410	13.2
453.33582	15.8
471.34567	11.3
509.36728	5.4
527.37366	71.0
545.38293	54.7
552.22479	4.7
559.39465	12.4
572.49463	3.7
577.38733	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	577.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.1
53.03935	3.7
55.01878	5.5
55.05517	13.3
57.03440	5.5
57.07079	2.4
57.19207	0.8
61.02907	1.3
65.03919	1.9
67.05508	29.2
69.03433	7.4
69.07071	9.6
69.35494	2.0
69.35905	5.8
71.04984	3.3
73.02915	6.0
75.04453	1.5
77.03893	1.2
79.05499	42.9
81.03434	8.6
81.07060	33.4
83.04988	3.9
83.08621	6.3
85.02908	5.2
85.06523	2.0
89.70153	0.8
91.05483	38.4
92.68205	0.8
93.07050	52.6
95.04983	4.3
95.08614	21.6
97.02905	4.3
97.06515	2.8
97.10152	2.7
99.04463	4.3
99.08092	1.9
103.05418	1.1
105.04555	1.5
105.07037	43.0
107.04949	1.3
107.08604	30.8
109.02881	12.2
109.06509	2.8
109.10168	8.9
110.03645	3.5
111.04465	5.2
111.08089	1.5
113.09655	1.3
116.06226	0.8
117.07001	10.5
119.08592	36.2
121.06504	1.0
121.10150	23.8
123.08112	1.2
123.11697	2.8
127.03908	4.7
128.06242	2.0
129.05449	0.9
129.07031	7.5
131.08571	15.6
132.99586	2.6
133.10141	31.9
135.08110	1.7
135.11700	28.3
135.12721	1.7
137.09648	1.6
139.09021	0.8
142.07721	1.2
143.08575	8.1
145.10133	15.1
147.08018	1.4
147.11694	37.0
149.09589	2.5
149.12193	1.4
149.13271	16.2
155.08510	1.6
157.10139	8.6
159.11710	15.0
161.09618	1.1
161.13261	22.5
163.11188	3.0
163.14816	5.8
169.10196	1.9
171.11694	10.8
173.13290	9.6
175.11208	1.9
175.14819	11.6
177.12691	2.2
183.11697	1.8
185.13232	11.6
187.14796	2.2
189.12718	2.0
189.16382	1.3
191.00146	4.0
191.14267	1.0
195.11726	1.3
197.13220	1.1
199.11259	1.0
199.14810	5.5
202.06664	0.9
203.14290	1.0
204.78105	0.8
209.01187	1.1
210.50098	0.8
213.16364	3.3
217.15837	1.1
217.19507	1.4
219.17526	1.0
231.17520	1.6
231.21111	6.5
241.19516	26.8
257.18863	1.2
259.20590	71.7
273.22122	1.2
275.19846	1.1
277.21622	8.9
284.64404	0.8
294.85632	0.8
301.21719	2.1
333.24316	9.5
349.17212	1.0
349.23743	1.3
351.25323	100.0
352.25525	1.4
363.25372	1.4
367.22589	2.7
375.25290	2.2
441.26242	1.3
449.19919	2.2
467.21506	1.7
467.84128	0.9
485.22183	1.6
541.24658	1.3
559.25702	5.7
577.26843	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	576.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01865	0.8
55.05511	4.1
57.03429	2.1
57.07086	1.1
61.02919	1.8
62.06083	0.8
67.05511	9.1
69.03435	8.0
69.07068	3.8
69.37374	1.5
69.37791	4.5
70.06583	1.7
71.05007	3.5
71.08640	10.0
72.08163	3.6
73.02940	1.4
79.05498	8.0
81.03413	3.3
81.07067	8.5
83.04986	2.1
83.08605	1.1
84.08144	1.3
85.02914	10.9
85.06510	0.7
86.06076	24.6
86.09695	1.1
87.00840	1.2
87.04458	2.8
91.05486	10.8
93.07050	10.7
95.04967	2.5
95.08606	14.5
96.08146	4.5
96.19115	0.9
97.02902	5.6
97.06535	4.6
97.10153	0.8
98.06084	1.1
98.09699	7.4
99.04465	2.5
99.08102	12.0
105.01884	0.8
105.07032	7.6
107.08604	6.0
107.75642	0.8
108.08113	2.3
109.02882	2.5
109.06507	1.5
109.10172	6.6
111.04505	1.0
113.06039	0.8
115.03944	2.7
116.10740	61.2
117.07025	2.0
119.08594	13.7
121.10175	5.6
122.09671	2.3
123.08078	1.1
123.11704	1.8
124.07575	2.2
124.84337	0.7
127.03931	4.3
129.06978	1.1
131.08556	2.1
133.10146	4.6
135.08051	1.5
135.11699	2.1
136.06123	0.8
137.09630	8.6
139.11154	1.0
140.10692	0.9
141.07092	0.7
142.08652	4.9
142.12294	1.2
143.10649	2.3
145.05008	2.0
145.10164	2.2
147.08063	2.6
147.11685	3.0
149.09644	1.3
149.13229	0.8
153.09140	1.0
154.15918	0.9
155.08498	1.1
157.10164	1.2
159.11639	1.3
161.13228	1.4
163.03917	1.9
163.11133	0.9
163.14767	2.3
165.09151	1.2
167.10657	1.4
169.10123	0.8
173.13248	1.3
178.15939	1.0
183.10254	1.2
183.11743	1.0
185.11798	1.8
196.16946	4.3
197.13260	0.8
201.11235	2.1
209.11690	0.8
214.18036	59.7
215.14255	0.8
215.17958	1.6
220.17076	0.9
226.14322	1.0
229.15837	1.2
233.97516	0.8
238.18134	1.7
239.17961	2.2
245.13832	2.5
254.21170	6.1
256.19089	3.5
257.19000	2.2
259.09567	1.8
261.13339	3.3
275.20062	12.8
280.19086	8.1
293.21338	0.9
298.20111	7.5
303.96222	0.8
313.03406	3.1
316.21207	100.0
355.08133	3.2
376.23303	7.9
396.27469	1.5
399.10715	3.2
414.28525	31.0
431.13333	6.8
460.25128	1.1
478.26508	28.8
486.27170	1.0
550.10156	0.8
576.25464	0.8
576.33783	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	576.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46777	0.7
53.03938	1.8
53.38342	0.6
55.01862	2.4
55.05513	5.1
56.96543	0.8
57.03434	1.2
61.02917	2.4
62.06091	0.9
67.05183	0.8
67.05509	11.9
69.03430	7.5
69.07057	3.1
70.06592	2.1
71.04995	4.0
71.07368	0.8
71.08639	7.5
71.54670	0.8
72.08132	2.5
73.02918	1.3
79.05083	1.0
79.05499	10.9
81.03426	3.4
81.07059	13.3
83.04984	1.5
83.07343	0.7
83.08621	1.5
84.08140	1.3
85.02905	10.6
85.06493	0.8
86.06074	25.3
86.09708	1.3
87.00844	0.7
87.04489	3.8
91.05488	13.8
93.07048	15.1
94.06433	0.7
95.04957	1.3
95.08612	17.8
96.08123	4.9
97.02920	4.6
97.06541	5.7
97.10187	0.9
98.06081	1.1
98.09689	7.3
99.04455	3.1
99.07499	0.8
99.08105	10.2
105.01905	0.8
105.07039	7.7
107.08607	8.1
108.08106	2.7
109.02873	2.8
109.06512	0.8
109.10172	9.3
110.09635	1.0
111.04430	1.1
111.08068	1.2
114.09193	0.8
115.03922	2.5
116.10738	61.4
117.07017	2.4
117.07781	0.7
119.08591	18.0
121.06480	0.8
121.10151	8.2
122.09658	2.0
123.08108	1.7
123.11713	2.1
124.07569	1.8
125.05967	1.8
125.09616	1.3
127.03933	5.0
129.07022	1.1
131.08598	4.3
131.09370	0.8
133.10143	7.0
135.08081	1.7
135.11664	1.6
136.06151	1.1
137.09633	8.3
139.07468	0.7
139.11147	0.7
140.10716	1.3
141.06973	1.2
142.08659	4.8
142.12236	0.9
143.08574	0.9
143.10680	3.1
145.04991	1.7
145.10101	3.3
147.08049	2.8
147.11697	3.1
149.09641	2.3
149.13284	1.0
153.09096	1.8
154.15930	1.5
155.10689	1.0
157.10133	0.8
159.11658	2.4
161.13240	3.0
163.03882	1.5
163.11246	1.3
163.14856	3.1
165.09123	1.7
166.15942	0.8
167.10635	1.1
168.88702	0.8
171.11742	0.7
173.13301	1.3
175.11224	1.3
183.10147	1.5
183.11671	1.6
185.11749	0.9
187.11211	1.2
187.14848	0.8
189.16393	0.8
193.12250	1.1
196.16956	3.5
197.13173	1.1
201.11168	1.9
209.11800	0.8
214.18025	55.1
215.17952	1.4
229.15817	1.0
236.19969	0.8
238.18015	1.5
239.17999	1.3
243.12271	1.4
245.13773	1.3
254.21179	6.1
256.19086	5.0
257.18991	3.2
259.09695	1.0
261.13391	3.6
273.03934	0.9
275.20038	12.6
280.19122	7.2
293.21240	0.9
298.20200	6.8
299.05630	1.4
301.03433	1.5
313.03467	3.0
316.21201	100.0
317.21426	1.2
355.07947	3.4
376.23358	5.8
388.19562	1.0
396.27374	2.0
399.10626	1.9
413.12424	1.0
414.28503	27.2
431.13397	6.2
478.26462	23.8
576.33820	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01877	3.0
55.05525	6.0
57.03425	2.3
61.02922	2.8
62.06099	1.0
65.03949	1.2
67.05511	16.1
69.03432	8.0
69.07081	6.5
69.25490	9.2
70.06598	1.5
71.04993	4.2
71.08638	9.0
72.08154	4.4
73.02914	1.7
77.03920	1.3
79.05067	1.8
79.05496	19.3
81.03417	6.0
81.07059	18.1
83.04985	2.1
83.08618	2.9
84.08165	1.8
85.02906	10.6
86.06075	26.6
86.09688	1.6
87.04464	6.1
91.05483	18.5
93.07049	25.2
95.04997	2.4
95.08615	25.4
96.08134	4.0
97.02916	6.3
97.06511	8.4
97.10139	1.4
98.09682	9.0
99.04460	4.1
99.08093	10.9
101.06026	1.5
103.05460	1.1
105.07036	17.1
107.08605	9.9
108.08124	1.7
109.02893	2.5
109.06524	1.9
109.10162	12.8
111.04402	1.6
111.08082	1.3
113.06045	1.4
114.09217	2.0
115.03951	3.4
116.10738	62.7
117.07044	4.7
119.08581	23.1
121.06561	1.5
121.10155	18.1
123.08105	2.8
123.11712	3.6
124.07590	1.9
125.05974	1.6
125.09685	1.9
127.03883	6.8
129.06970	1.5
130.25941	1.2
131.08554	5.1
133.10130	11.0
135.08099	1.9
135.11676	3.5
136.06206	1.6
137.09618	9.7
139.11227	2.6
140.10646	1.4
141.06999	2.2
142.08640	5.1
143.08606	2.0
143.10683	3.2
145.04982	2.5
145.10152	5.1
147.08063	3.6
147.11699	7.6
149.09644	2.9
149.13217	1.7
153.09096	2.0
154.15910	1.3
157.10130	1.6
159.11716	3.3
161.13298	4.5
163.03931	3.0
163.14821	5.0
165.09154	1.9
167.10699	3.5
171.11595	2.2
173.13289	3.7
175.14865	2.1
178.16008	1.1
181.10121	1.2
183.10181	2.4
183.13919	1.5
185.11667	2.8
185.13269	1.7
187.14854	2.2
189.12738	2.1
193.12245	1.9
196.16942	4.3
197.13197	1.5
201.11137	1.7
213.16330	1.7
214.18016	55.4
215.14439	1.3
215.17976	3.6
217.05048	1.1
219.13715	1.6
229.15912	1.9
232.46483	1.1
238.18022	2.0
239.17978	4.5
245.13837	1.7
254.21268	5.4
256.19016	2.9
257.19000	6.7
259.09708	2.7
261.13373	4.2
275.20105	27.5
280.19150	8.2
293.21057	1.5
298.20160	8.4
307.31705	1.2
316.21201	100.0
355.08105	1.6
376.23361	7.3
388.19781	1.3
396.27368	3.2
399.10587	1.4
414.23209	2.4
414.28528	30.8
414.34000	1.7
431.13425	2.7
478.26520	29.2
576.25238	2.0
576.33734	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.2
55.01867	11.6
55.05520	49.3
57.03429	11.3
57.07073	7.9
59.04990	4.2
65.03938	5.0
66.16605	3.6
67.05186	7.0
67.05515	100.0
69.03429	5.1
69.07070	29.6
69.82484	21.2
71.04993	20.3
76.83358	3.6
79.05076	5.3
79.05504	72.7
81.03430	14.7
81.06589	5.5
81.07062	80.7
83.04972	14.4
83.08622	25.1
85.06547	4.9
86.09709	5.8
91.05489	62.9
93.07049	73.3
95.04971	15.7
95.08614	69.7
97.06529	11.0
97.10168	19.1
98.20790	7.4
98.21434	8.0
99.08118	10.5
101.08621	4.1
103.05480	4.2
105.07046	62.2
107.04948	7.0
107.08618	41.8
109.06513	10.5
109.10171	26.7
111.08083	7.5
115.05438	6.6
117.07054	36.0
119.04981	3.7
119.08569	49.8
121.06530	9.4
121.10160	40.3
123.08074	11.4
123.11700	7.6
125.09620	20.3
128.06235	8.9
129.07022	24.1
130.07828	5.3
131.08578	49.2
133.06528	6.6
133.10156	31.2
135.08084	9.5
135.11690	17.1
137.09610	8.2
138.21965	3.3
141.06998	10.8
142.07771	6.8
143.08551	25.4
145.06491	4.5
145.10130	37.0
147.08008	8.4
147.11726	21.1
149.09637	14.9
149.13193	5.7
151.11122	4.1
155.08551	14.7
157.10159	28.6
159.08115	5.9
159.11691	33.8
161.09669	4.9
161.13274	11.1
163.11197	8.3
167.08606	6.0
169.10168	20.2
171.11655	21.6
173.09657	8.1
173.11943	4.3
173.13240	21.6
175.11191	9.7
177.12825	5.5
181.10144	14.9
183.11725	16.1
184.07321	6.2
185.13290	18.3
187.14909	5.3
189.11214	9.3
189.12764	7.3
193.12099	4.3
195.11713	12.7
197.13330	9.7
199.14923	8.8
209.13280	9.5
211.14865	6.6
213.16475	4.6
223.14970	4.3
225.16646	4.0
227.12659	18.4
235.14716	4.7
259.20624	6.1
273.18625	7.2
275.20087	7.5
283.20361	6.2
285.22272	7.2
287.20062	6.9
291.19528	6.4
299.20486	4.2
299.23691	16.5
301.21588	5.4
339.23178	5.8
344.13452	4.0
361.67401	3.9
415.29742	8.4
421.25717	5.4
431.27731	5.5
433.31305	24.5
451.32169	19.9
469.33005	12.4
483.34732	6.2
507.34726	12.8
517.35083	27.7
525.35815	79.9
543.36841	85.8
548.70819	4.2
557.38812	32.9
559.60986	4.6
575.40076	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01862	4.2
55.05513	19.2
57.03437	2.8
57.07078	10.5
59.04999	2.0
61.02943	1.0
65.03937	1.7
67.05511	29.5
68.99792	1.1
69.03083	1.5
69.03433	19.6
69.07073	53.6
69.16135	7.9
71.04998	6.6
71.08643	2.2
73.06554	2.0
79.05498	17.6
81.03429	14.6
81.03873	1.4
81.07063	100.0
83.04992	1.9
83.08627	17.7
83.09126	1.0
85.02913	17.0
85.06555	13.7
85.10190	2.0
87.00845	5.9
91.05480	7.2
93.07050	35.5
94.71070	0.8
95.04976	2.6
95.08614	86.9
97.02900	7.4
97.06527	13.2
97.10165	7.5
99.04453	8.9
99.08107	5.4
101.06058	1.4
105.01865	3.7
105.07040	11.7
107.04927	0.8
107.08601	34.4
109.02883	13.0
109.06522	2.5
109.10165	37.0
110.08559	0.7
111.04440	1.8
111.08080	15.1
111.11727	11.8
113.09685	2.2
115.07586	1.1
117.07018	1.6
119.08588	10.2
121.06568	0.8
121.10155	18.0
123.04445	0.7
123.08100	1.6
123.11721	34.3
125.09650	2.8
125.13282	3.6
127.03927	19.4
127.11219	3.6
129.01906	1.0
129.07056	1.2
131.08618	2.2
133.10178	5.2
135.08046	1.3
135.11702	17.3
137.05907	0.8
137.08652	0.7
137.09660	1.2
137.13269	29.4
139.11223	2.3
139.14912	0.8
141.12784	1.4
143.08575	0.9
145.05003	3.9
145.10175	1.5
147.11674	6.9
149.13272	40.9
151.11241	1.2
151.14882	3.8
153.12755	19.1
155.14313	7.6
157.10136	1.7
159.02934	1.2
159.08055	1.5
159.11728	2.1
161.09702	1.1
161.13307	5.2
163.14835	9.9
165.12805	2.1
165.16422	1.7
167.14307	5.9
171.03027	0.9
171.08067	0.8
171.13841	2.8
173.09631	1.1
173.13390	1.1
173.15366	1.3
175.11160	0.9
175.14851	1.8
177.16367	4.0
179.14369	1.2
179.18050	1.0
185.09695	1.0
185.15436	1.4
187.06088	2.8
187.11214	1.2
189.16467	1.7
191.18002	2.3
203.17957	1.9
205.15903	0.8
205.19637	1.6
209.19069	1.1
213.03947	9.4
213.12717	0.9
217.19598	2.4
219.21254	1.0
221.22780	0.9
223.20741	1.0
231.05017	6.2
235.20622	1.4
239.20149	2.7
239.23756	1.7
249.06180	1.0
261.25879	2.0
263.19788	0.8
265.25439	1.3
273.25647	4.4
279.26785	7.9
291.26837	20.2
292.19928	1.1
293.28308	1.0
297.27917	3.1
301.54904	0.7
307.26428	0.8
309.27884	24.3
327.28983	4.0
399.29272	2.4
417.30042	2.1
428.94705	1.2
495.33588	0.8
509.30627	1.0
513.34076	1.4
515.28729	1.1
521.31195	2.4
539.32324	3.3
557.33679	1.2
575.26782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01868	2.5
55.05514	13.1
55.53719	1.8
56.96574	3.6
57.03435	4.5
57.07070	8.1
59.04995	2.9
61.02924	3.7
67.05511	22.8
69.03442	14.8
69.07070	49.6
71.04994	6.7
71.54484	1.5
71.54954	2.8
73.02918	2.5
79.05497	13.8
81.03426	11.9
81.07059	76.8
83.05000	4.4
83.08618	16.1
85.02899	15.9
85.06547	8.4
86.09707	2.8
87.00840	4.0
91.05480	11.1
93.07051	18.0
95.04980	2.3
95.08607	38.8
97.02887	4.3
97.06536	11.9
97.10165	2.8
99.04459	4.8
99.08080	3.8
105.01837	3.1
105.07039	14.3
107.08587	23.6
109.02879	5.8
109.06510	2.3
109.10150	18.7
111.04479	4.0
111.08115	8.7
111.11731	16.0
115.07526	2.7
117.07071	3.1
119.08575	8.8
121.10147	8.7
123.11709	100.0
125.13274	4.3
127.03944	6.8
127.11169	3.7
129.07069	2.1
131.08562	5.0
133.10069	8.9
135.11690	13.9
137.13245	8.6
143.14258	1.8
145.05009	2.1
145.10124	4.8
147.11694	6.6
149.09628	4.1
149.13246	11.9
153.12735	27.3
155.14331	7.7
157.10080	2.8
159.11699	2.8
161.09651	1.8
161.13338	2.6
163.03929	1.8
163.11180	2.1
163.14883	2.6
165.12727	2.3
167.14244	2.7
171.13840	7.5
179.10706	2.2
184.07381	2.0
189.12697	2.1
191.04799	2.1
204.08275	1.8
207.13841	2.3
239.23663	5.6
257.19098	2.3
267.09195	2.1
275.20175	4.3
279.26767	3.3
285.10349	2.3
291.26813	6.3
297.27979	16.6
309.27853	44.5
327.28967	10.7
349.23694	4.7
429.12073	2.2
470.71277	1.9
503.29987	2.7
516.24164	3.5
575.24005	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	575.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.9
53.03956	6.5
53.83483	1.1
55.01880	14.5
55.05513	15.1
56.96548	2.0
57.03438	7.0
61.02916	3.3
65.03934	2.7
67.05188	2.1
67.05510	29.0
69.03433	17.3
69.07069	20.3
69.50203	2.3
69.50614	6.1
71.05000	3.7
72.37378	1.2
73.02921	14.1
73.54208	1.2
76.80000	1.2
79.05073	1.8
79.05496	25.4
81.03419	17.9
81.07055	37.7
81.07534	2.4
83.04986	8.5
83.08622	6.1
85.02908	11.8
85.06528	1.5
91.05486	41.8
93.07052	27.8
95.01332	6.7
95.04989	8.2
95.08604	21.2
97.02921	6.8
97.06532	21.2
97.10154	3.3
98.97578	2.4
99.04459	6.7
99.08101	1.7
103.05477	1.5
105.07035	54.2
107.04956	12.5
107.08591	14.9
109.02876	18.3
109.06525	3.6
109.10168	7.9
110.03629	2.2
111.04440	15.2
111.08035	2.9
112.21011	1.2
116.98548	1.3
117.07030	10.8
119.08578	27.3
121.06495	3.9
121.10086	6.6
123.08064	2.5
123.11703	2.5
125.09632	2.7
127.03927	7.7
129.06995	2.7
131.00198	1.6
131.08572	18.9
132.40031	1.2
132.99542	7.5
133.06509	2.2
133.10136	31.1
135.08066	3.3
135.11699	8.0
137.09621	3.7
138.02866	1.2
139.07545	2.0
141.06982	3.0
143.08560	4.7
145.06456	2.8
145.10127	15.1
145.34628	1.3
147.11707	17.2
149.01230	1.5
149.09622	8.4
149.13255	4.4
151.00610	1.7
151.11186	2.1
155.08531	2.5
157.10139	4.5
158.99622	1.4
159.11696	11.8
161.13248	4.1
163.11192	5.0
165.09109	1.3
165.12779	2.1
169.10129	2.3
171.11690	2.5
173.13239	3.7
177.12759	4.1
179.14302	13.9
183.11665	2.4
185.13182	1.8
187.11209	3.6
191.00107	5.0
195.13936	2.2
201.12912	1.3
205.12128	1.8
209.01126	2.4
215.89568	1.2
219.17274	1.3
224.07890	2.6
224.58185	1.3
229.07504	2.5
229.19539	2.7
239.17926	2.2
247.20540	3.5
257.19037	10.9
269.10645	1.6
275.20068	100.0
293.05383	1.4
293.21121	9.1
331.22897	1.5
349.23773	29.8
391.24649	2.2
394.91403	1.4
465.29855	1.5
557.23639	2.0
557.34283	1.7
575.24988	23.3
575.35480	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	574.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01852	1.3
55.05516	7.1
57.03433	2.5
57.07061	1.8
65.26646	0.9
67.05219	1.0
67.05511	8.6
69.03437	11.2
69.07052	4.4
69.22031	2.8
69.22459	5.4
70.06588	0.8
71.04990	3.4
73.02930	1.0
79.05499	4.5
81.03438	6.4
81.07059	8.0
83.04974	9.6
83.08602	1.4
85.02914	12.0
85.06548	10.1
86.01926	0.8
87.00838	6.8
91.05445	4.5
93.07051	7.6
95.04953	2.7
95.08617	12.5
95.57025	0.8
97.02902	5.9
97.06519	2.7
98.21528	1.7
99.04457	3.3
99.08115	5.9
101.05998	1.5
105.01888	4.6
105.07021	7.6
107.04867	1.4
107.08605	8.2
109.02884	4.0
109.06521	3.8
109.10173	9.0
111.08066	3.4
111.11660	1.0
113.09653	10.6
117.07049	0.9
119.08587	9.8
121.06498	3.4
121.10152	9.1
123.08085	5.1
123.11706	3.0
125.06001	1.0
125.09653	7.2
127.03918	8.2
131.08595	4.2
133.10136	8.1
135.08035	11.4
135.11668	2.8
137.06009	1.0
137.09619	7.7
139.07591	1.7
139.11172	3.3
143.08578	3.7
145.04958	2.8
145.10143	6.6
147.08049	4.2
147.11748	4.3
149.09653	7.5
151.07520	3.3
151.11206	2.3
152.11497	1.2
153.09109	3.8
155.08549	1.3
156.09315	1.8
157.10144	4.6
159.02904	2.3
159.08057	3.9
159.11705	3.4
161.09647	6.6
161.13263	3.4
163.07646	1.2
163.11128	2.2
165.09154	6.6
165.12738	1.0
169.10020	1.2
170.10982	1.6
171.08008	1.2
171.11694	5.8
173.09631	5.0
173.13287	4.2
175.11179	5.0
175.14807	1.2
177.09111	2.3
177.12779	1.3
179.10704	1.6
185.09599	1.9
185.13277	3.9
187.11169	2.4
187.14885	4.7
189.12735	9.0
191.14326	3.8
194.98482	1.0
197.13261	2.9
199.11133	4.8
201.12651	1.1
203.10703	1.6
203.14302	2.9
205.12297	1.9
209.15254	1.2
213.12740	6.9
213.92360	1.0
215.14302	5.5
217.12094	1.5
223.06046	5.5
227.17897	3.4
229.19485	1.2
231.04987	2.1
231.13747	2.4
233.15379	2.0
237.16318	1.1
245.19067	4.5
255.17459	6.9
263.20123	2.0
273.18491	24.4
275.20126	2.1
291.19556	100.0
309.20618	11.8
326.27588	0.9
333.30820	0.9
388.06894	1.0
479.40305	0.9
484.80447	0.9
537.54053	0.9
568.88837	1.1
587.68848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76745	0.9
51.64927	1.0
53.03932	3.1
55.01865	3.5
55.05512	5.9
56.08139	0.9
57.03433	2.0
61.02914	1.4
65.03947	1.0
66.00270	0.9
67.05499	6.6
67.64175	0.9
68.99773	1.4
69.03075	1.5
69.03429	14.1
69.07061	2.0
70.83944	3.0
71.04986	3.5
71.85622	0.9
73.02898	2.4
79.05527	4.9
79.05897	1.1
81.03423	11.2
81.07067	7.4
83.04977	4.1
85.02905	27.0
85.06541	13.5
86.09680	1.0
87.00838	10.6
91.05475	4.7
91.54917	0.9
93.07047	9.0
95.04949	2.8
95.08612	9.6
97.02895	9.1
97.06533	9.7
99.04453	5.0
99.08086	6.4
101.05981	1.1
105.01880	6.8
105.07036	7.6
107.08585	9.7
109.02880	10.0
109.06518	8.4
109.10128	8.8
111.08081	3.0
113.05963	1.4
113.09679	2.5
115.13094	0.9
117.01857	1.0
117.06951	1.3
119.08585	8.2
121.06507	3.4
121.10143	8.1
123.08065	11.0
123.11688	2.7
125.05988	3.3
125.09649	9.7
127.03931	15.2
129.07045	1.2
131.08563	3.7
133.10135	7.9
135.08046	11.0
135.11678	3.0
137.05927	1.3
137.09613	4.0
138.50658	1.0
139.11127	1.6
141.09091	1.2
143.08556	2.9
144.09308	1.1
145.04959	6.2
145.06511	1.1
145.10120	6.5
147.08047	3.6
147.11678	4.3
149.09615	4.3
149.13232	1.3
151.11168	2.6
153.09151	2.5
155.08630	1.2
157.10133	4.2
159.02887	5.2
159.08061	2.6
159.11691	4.0
161.09656	6.0
161.13196	2.1
163.11137	1.4
163.14809	1.2
165.09120	9.2
169.10136	1.9
171.11674	4.5
173.09598	3.5
173.13332	4.8
175.11237	4.3
177.09123	2.2
177.12781	1.3
179.10727	1.3
185.13254	2.7
187.11247	2.5
187.14848	3.0
189.12717	4.4
191.10661	1.3
191.14296	2.8
195.10103	1.3
195.11688	1.7
195.13837	1.2
197.13358	1.6
197.15282	1.1
201.12715	1.8
207.13728	1.5
213.12721	1.9
213.16316	2.6
215.14293	4.7
222.77350	1.0
223.13248	1.2
229.15845	2.0
231.04990	4.6
231.13710	2.1
231.17384	4.5
233.15384	8.5
235.13286	1.3
243.17468	2.3
247.16997	5.8
249.18465	1.7
255.17395	3.0
261.18481	4.2
265.05496	1.0
273.18506	16.2
275.20068	5.1
276.13791	1.3
279.19696	1.4
291.19553	100.0
309.20605	18.3
398.36884	1.0
485.21634	1.2
503.22592	1.7
521.23822	1.9
539.24756	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	574.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80233	2.5
53.03938	5.1
55.05509	13.8
57.03426	5.7
57.07063	3.9
67.05504	28.8
69.03436	19.2
69.07047	10.9
70.06586	3.0
70.21048	2.8
71.04984	9.0
71.10378	2.4
71.54953	4.2
72.08149	5.9
79.05485	9.4
79.18882	2.7
81.03406	12.5
81.07064	25.8
83.04967	6.2
83.08617	5.9
85.02909	27.3
85.06543	32.8
87.00810	9.4
91.05483	13.1
91.12711	2.9
93.07038	21.4
95.04950	11.8
95.08608	100.0
97.00453	2.6
97.02882	12.6
97.06519	9.7
97.10145	4.6
99.04456	4.2
99.08089	4.7
99.09650	2.9
105.01844	7.5
105.07026	14.7
107.08621	17.8
109.02886	8.3
109.06516	6.6
109.10168	12.6
111.04446	3.0
111.08056	8.0
111.11711	5.1
113.09639	19.8
116.10849	2.7
119.08572	12.2
121.06523	4.3
121.10130	12.6
123.08066	47.1
123.11705	11.4
127.03909	12.5
131.08568	10.9
133.10121	12.5
135.08061	17.6
135.11664	6.6
137.05920	3.5
137.09590	4.6
137.13322	3.1
139.11195	4.2
141.09099	32.7
143.08580	5.0
145.04990	5.1
145.10109	11.6
147.11670	7.6
149.09634	8.8
149.13254	7.7
151.07549	39.6
151.11142	10.9
157.10109	8.2
159.08101	3.7
159.10309	4.4
159.11723	7.0
161.09644	10.8
163.03885	4.5
163.11171	4.6
163.72374	2.9
165.09084	15.7
171.11624	7.7
173.09541	3.6
177.09019	5.4
177.12729	6.9
179.10773	4.2
183.11595	2.9
185.13329	3.1
189.12746	7.8
191.10660	4.2
191.14294	4.9
205.12146	6.0
207.13782	12.7
213.03940	4.3
213.12601	3.2
215.14183	3.7
217.12083	4.9
227.10864	4.9
243.17690	3.4
245.11688	6.1
247.16937	2.9
255.17450	6.4
259.09760	7.3
261.18597	27.1
266.20801	2.9
273.18558	31.6
274.30322	3.5
279.19562	28.4
291.19534	88.1
309.20691	4.0
331.62262	3.6
458.57574	2.9
473.21387	3.7
539.24542	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	571.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65878	2.1
53.03934	5.8
55.01860	10.1
55.05514	57.8
57.03438	4.3
57.07077	6.4
65.03926	2.8
67.05508	72.7
69.03430	5.1
69.07072	46.9
70.25338	7.0
71.04985	6.7
79.05070	4.0
79.05499	50.1
81.07061	70.8
83.04992	7.2
83.08619	29.3
85.06541	4.3
91.05488	44.2
93.07049	55.1
95.04958	5.4
95.08611	62.5
97.06526	13.6
97.10178	36.7
105.07038	58.0
105.07696	4.0
107.08595	46.7
109.10162	41.6
109.38813	2.1
111.08044	2.8
111.90261	2.1
113.06017	1.9
117.07023	40.1
119.08588	53.8
121.10156	24.8
121.69064	2.1
123.08130	5.1
123.11698	12.4
125.09649	18.9
128.06264	3.9
129.07011	19.7
130.07768	3.5
131.08565	56.2
133.10127	39.1
135.08073	4.4
135.11694	19.0
137.13263	4.6
139.93549	2.0
141.07027	6.1
142.07813	2.6
143.08543	25.9
143.09555	2.4
144.09430	2.8
145.10123	57.7
147.11694	25.2
149.13268	7.7
153.09200	2.4
155.08562	11.8
156.09402	3.0
157.10159	26.2
159.11690	51.1
161.13264	12.3
163.14943	3.3
165.06914	2.4
167.08594	2.7
169.10155	15.2
171.11655	23.8
173.11806	4.1
173.13245	35.8
175.14825	6.9
181.10248	4.7
181.12251	2.1
183.11676	14.6
185.13254	20.3
187.13326	4.2
187.14806	17.0
189.11235	12.2
189.16335	3.0
195.11761	6.5
195.13905	2.8
197.13304	12.8
197.15070	2.8
199.14819	14.1
201.16431	12.7
203.17982	3.1
209.13318	5.2
211.14882	7.5
213.16365	6.6
215.17998	7.1
223.14871	6.5
225.16426	5.1
227.18050	5.1
229.19521	6.6
235.17009	3.0
237.16502	3.6
239.18016	4.7
241.19513	4.8
243.21169	3.6
249.18680	2.7
251.20161	2.6
253.19563	2.4
255.21234	3.2
263.20163	5.7
275.20065	11.0
277.21689	10.5
279.23398	3.2
285.21838	2.3
287.20044	2.4
289.21765	3.9
289.64346	2.4
291.23334	3.4
297.22281	4.2
299.23648	3.6
301.21555	3.6
303.23276	8.0
313.21658	2.6
315.23218	8.1
317.24924	4.7
325.25409	3.2
327.23242	4.2
329.24924	5.2
331.26480	3.0
341.24863	3.6
343.26620	4.7
355.26495	3.3
357.28003	3.2
359.29706	4.6
367.29950	10.4
367.85223	2.2
369.28140	3.6
383.29108	3.2
383.33264	7.2
385.31033	89.2
399.32538	7.2
409.31720	2.4
439.35657	2.9
441.33575	3.3
445.33783	3.1
447.33148	3.3
455.35510	3.1
459.34805	17.1
465.33719	4.6
473.36380	5.4
483.34540	3.5
499.39594	3.4
513.39417	7.2
517.40631	16.8
535.41473	32.9
553.34045	4.9
553.42572	100.0
571.43683	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.8
55.05508	23.2
56.96561	7.5
57.03437	8.0
57.07072	6.1
58.22071	3.5
60.08154	6.8
60.38542	3.1
65.03934	4.8
67.05511	32.0
69.03426	21.3
69.03732	3.5
69.07076	29.0
69.37038	29.0
70.06579	5.5
71.04993	33.9
71.31654	3.7
79.05495	32.3
81.03400	16.8
81.07063	91.7
83.04985	5.9
83.08604	9.5
85.02908	33.6
85.06530	12.1
86.09710	36.3
87.00807	11.8
87.04421	4.0
87.10027	13.2
91.05476	27.2
93.07047	75.3
95.04964	11.3
95.08608	63.0
97.02890	14.9
97.06522	8.4
97.10160	13.0
98.98501	3.6
99.04436	5.9
99.08092	6.7
104.10752	28.2
105.01862	9.7
105.07033	67.5
105.11046	6.3
107.07892	4.1
107.08596	79.2
109.02876	12.2
109.06512	8.8
109.10159	54.3
111.08095	5.9
117.07014	10.9
119.08597	62.1
121.10149	51.7
123.08065	4.1
123.11696	20.9
124.99991	26.6
125.09643	35.6
127.03902	16.2
127.11196	30.5
129.06979	4.6
131.08566	21.3
133.10135	44.8
135.11702	31.8
137.09633	13.1
137.13235	9.6
143.08566	12.6
143.10658	49.0
144.09268	4.6
145.10153	45.3
147.11707	52.0
149.13275	39.2
151.11189	8.4
153.12703	4.5
157.10146	19.4
157.39409	4.0
159.02863	5.1
159.11710	42.7
161.13254	14.8
163.11198	7.8
163.14757	5.5
165.12733	6.4
171.11699	9.9
173.13245	18.4
175.11089	4.3
175.14796	8.4
177.12709	5.2
184.05803	7.9
184.07344	100.0
185.07710	24.6
185.13217	11.7
187.14833	8.9
189.16411	12.1
193.15916	7.4
198.22351	4.3
199.14807	10.0
201.16389	58.5
205.15883	8.9
211.14748	3.8
213.16365	8.6
215.17833	6.9
219.17392	13.0
223.16940	17.4
227.18028	3.9
231.17424	4.6
233.11574	4.4
241.19717	3.6
250.09827	3.8
269.22626	22.2
287.23679	40.2
303.10046	3.7
305.24713	43.2
323.25888	5.6
331.12204	14.1
331.62350	5.4
433.70523	4.3
453.24539	4.8
535.30975	5.7
553.33380	5.6
571.31476	13.6
585.46454	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	571.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64501	0.8
55.05507	0.9
57.03423	0.9
62.74875	0.7
67.05509	1.8
69.07095	0.9
70.23789	0.7
71.05008	1.2
71.23392	1.2
79.05499	1.4
81.03445	0.9
81.07053	1.7
85.02901	1.8
85.26498	0.7
86.09702	1.9
93.07070	1.3
95.04991	1.2
95.08601	1.0
98.97590	1.0
105.07024	1.4
107.08585	1.7
109.10170	1.3
119.08603	1.3
153.07474	0.8
159.17877	0.7
159.77263	0.8
176.03804	0.9
184.07358	3.8
186.07861	1.6
203.05363	1.0
204.03207	0.9
214.18053	1.8
243.08282	0.7
259.07834	1.7
339.04535	0.8
409.25754	2.0
457.20422	2.9
471.21912	1.4
565.90924	0.9
571.30902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14042	0.3
58.06602	0.4
59.36336	0.3
60.08164	0.5
62.66928	0.3
67.05520	1.0
68.04784	0.3
68.91302	0.3
69.07063	0.6
69.08128	0.3
69.18298	2.5
69.18706	0.8
70.06577	0.6
71.04997	0.6
79.05481	0.9
81.03412	0.4
81.07064	1.1
83.04975	0.8
83.08622	0.5
85.02904	0.9
86.09703	2.3
87.10039	0.7
91.05511	0.5
93.07050	0.8
95.08614	0.8
97.06554	0.4
98.20819	0.9
105.07090	0.5
107.08626	0.8
109.10187	0.5
116.10755	0.9
117.07034	0.4
119.08606	0.5
125.00013	1.2
133.10246	0.3
154.03996	0.4
169.01138	0.4
170.58469	0.4
184.07358	4.4
185.07730	1.8
185.09398	0.4
186.07809	1.9
187.08092	0.5
203.05304	0.8
214.18047	5.0
229.14581	0.4
259.07935	1.0
270.94168	0.3
292.05725	0.3
295.14743	0.4
358.59070	0.4
409.25790	1.7
457.20700	3.0
471.22052	2.4
484.12524	0.4
487.21320	0.4
571.30908	100.0
572.31763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05502	3.9
57.03427	3.6
57.23163	1.2
62.63961	1.1
64.82174	1.1
65.03938	1.5
67.05488	5.3
68.99805	6.0
69.03432	20.7
69.07060	5.0
70.06571	3.8
71.04980	1.9
72.08157	1.5
79.05495	9.2
81.03413	4.3
81.07059	13.0
83.04977	4.9
83.08630	1.4
84.08139	1.2
84.73868	1.5
85.02907	27.1
85.06505	1.8
86.09697	3.0
87.00833	3.0
87.04449	1.5
91.05470	8.5
93.07024	5.1
95.04973	2.9
95.08600	4.2
97.02301	2.1
97.02895	25.9
97.06509	2.8
98.20753	4.3
99.04454	3.7
103.74467	1.3
105.01882	1.7
105.07018	8.8
107.04989	7.5
107.08602	26.7
109.02863	5.1
109.06519	4.4
109.10159	8.8
110.49392	1.5
111.04456	1.4
115.00616	1.2
115.03916	7.2
115.05440	1.6
117.07028	1.7
119.08556	6.3
121.06498	3.8
121.10130	11.9
122.07286	5.2
123.04341	1.2
123.08053	3.1
127.03938	7.7
131.08577	3.8
133.10133	100.0
135.08086	6.5
135.11688	2.4
137.06030	6.9
137.09621	59.3
145.02879	1.3
145.10078	1.4
147.11667	3.2
148.09763	1.3
149.09604	4.7
149.13286	12.6
163.11266	1.4
163.14861	3.1
173.13264	8.6
177.05473	3.2
183.02904	3.7
191.14316	91.5
201.03938	31.1
205.04993	1.5
207.13841	1.3
209.15416	4.8
213.03893	1.6
231.04955	1.4
241.07042	1.7
271.16180	1.4
287.16461	2.4
287.23691	2.0
321.11176	1.7
323.12839	1.6
323.18372	3.1
327.07034	2.6
345.08066	5.9
363.09128	2.1
509.23657	3.3
571.23523	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2367
Annotation	Midostaurin
Peak:m/z	Relative Intensity
65.37701	0.3
67.05517	0.3
69.03436	0.7
69.17583	1.2
69.18021	1.5
70.06589	0.5
81.03425	0.5
81.07059	1.1
85.02904	1.0
86.09701	0.3
93.07051	0.5
97.02891	0.4
105.07035	0.5
107.08595	0.7
109.10178	0.7
121.02679	0.3
123.11696	0.4
125.09604	0.4
133.10130	0.4
149.88174	0.3
159.06320	0.5
171.13861	0.3
187.05833	1.4
201.04027	0.7
201.07512	0.4
287.10947	0.4
303.10425	1.4
305.24884	0.6
321.11600	3.3
373.28088	0.4
375.12668	0.4
439.15778	2.6
453.17502	1.3
454.18195	3.9
485.78424	0.3
509.23639	6.0
509.30801	0.5
511.21423	5.6
527.24420	0.5
553.22620	0.8
571.23645	100.0
572.23877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.03440	0.6
59.59993	0.4
61.85634	0.4
67.05504	1.5
69.03441	0.7
69.07068	1.2
69.96690	0.9
69.97085	0.9
70.06587	0.8
71.05011	0.6
72.08169	0.7
75.02000	0.4
75.75812	0.4
81.03425	0.8
81.07056	1.1
83.08668	0.5
84.04562	0.4
84.08128	0.5
85.00961	0.4
85.02913	0.8
86.09695	0.6
89.06023	1.0
91.05486	0.8
93.07045	1.0
95.08615	0.6
97.02946	0.7
98.21409	0.6
98.97585	0.9
105.07057	1.6
107.08615	0.9
109.02916	0.9
109.10185	1.2
119.08591	0.6
121.10162	0.7
125.32986	0.5
127.03873	0.5
131.08580	0.5
133.03448	0.8
133.08586	0.6
133.10159	1.1
145.10143	0.7
151.07454	0.5
157.10155	0.5
159.06294	0.5
163.03923	0.4
164.79691	0.5
171.05107	0.4
187.05801	0.9
202.76453	0.4
210.14847	0.6
212.16592	0.7
231.07028	0.5
274.52496	0.4
286.08105	0.6
303.10529	1.4
321.11404	1.6
439.15857	1.3
453.17508	0.9
454.18268	2.0
468.22543	0.5
479.47266	0.5
509.23584	4.9
511.20782	3.5
527.24536	2.8
571.23621	100.0
572.24347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56033	1.3
55.72646	1.2
66.58041	1.2
69.17043	13.2
69.17451	2.5
82.99840	2.1
97.02913	1.9
101.00886	12.1
109.02822	2.1
113.00879	2.8
115.02440	1.4
119.01931	22.4
121.01658	2.2
121.50085	1.2
127.02447	3.9
131.01909	12.0
133.03468	4.7
137.03008	1.9
137.38095	1.4
141.04082	1.6
143.01907	30.9
145.03470	12.0
147.01440	1.9
149.03064	2.1
155.01883	19.2
157.03445	8.8
161.02960	25.4
163.04480	2.3
167.01909	10.4
168.99869	5.4
169.03459	4.7
171.01329	2.0
171.05075	2.0
173.02972	24.8
175.04515	3.2
179.01913	6.1
184.33034	1.5
185.02960	44.8
187.00908	4.6
187.04509	5.3
196.99370	4.1
197.02972	18.0
199.00967	2.6
201.02547	2.5
203.04036	14.3
209.03008	3.0
213.02419	2.6
215.00392	9.6
215.02238	1.9
215.04021	11.6
217.02025	1.9
219.03551	3.6
221.05084	3.5
227.03993	8.3
228.05594	1.7
229.01910	4.3
231.03505	2.3
233.05042	2.0
245.05090	100.0
246.05304	1.6
247.03069	6.3
249.68729	1.4
254.65399	1.5
257.05103	4.2
259.03018	2.8
263.06171	13.0
271.02872	3.4
275.02783	2.6
275.06131	12.5
289.04056	8.5
293.07205	3.0
299.02478	2.1
301.03790	2.8
305.07217	10.3
307.05170	7.3
315.05661	2.2
319.04907	2.5
331.05124	7.4
333.06927	1.7
335.08115	5.1
349.06195	16.0
359.04663	1.6
365.09311	20.8
377.05539	3.6
391.06754	4.6
391.11938	1.7
409.08026	2.3
469.10321	2.5
511.11581	11.9
539.10742	4.6
571.13684	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21586	0.5
55.05561	0.6
55.12897	0.4
56.96626	0.6
58.85909	0.4
60.36059	0.4
67.05569	1.0
69.85798	2.1
71.05051	0.5
79.05553	0.6
81.07107	0.8
82.68571	0.6
83.01163	0.8
83.05042	0.9
85.02950	0.6
86.09800	0.6
91.05568	0.6
95.01189	0.7
97.06631	1.1
98.97685	0.6
107.08708	0.6
120.27353	0.4
156.04068	1.2
160.19862	0.4
184.03534	1.1
184.07520	1.3
185.04344	1.4
201.03925	1.8
203.05482	1.9
209.11456	0.5
259.07977	3.1
303.15881	1.1
321.16620	3.1
331.10126	1.7
349.16476	0.7
401.17896	0.6
415.56784	0.6
431.19180	1.3
443.18958	1.8
453.20694	2.3
455.22647	0.7
471.22076	3.7
483.22058	100.0
484.21771	0.6
541.12799	0.8
551.28229	9.9
569.29218	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	570.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05033	0.6
56.91344	0.1
58.06625	0.5
60.08166	5.9
63.54144	0.1
66.63609	0.1
67.05499	0.4
70.06593	0.1
70.51178	0.4
71.07370	2.8
79.05480	0.2
81.07061	0.3
83.08604	0.1
84.08146	0.1
86.09706	27.6
93.07049	0.2
98.98466	2.5
104.10742	3.3
107.08618	0.1
109.10176	0.3
125.00007	19.2
184.07341	100.0
185.07692	0.2
253.93120	0.1
258.11035	0.2
282.48807	0.2
412.20908	2.1
452.24030	1.5
472.12241	0.1
516.30804	0.4
534.31927	1.3
552.33008	2.8
570.34027	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	570.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
55.05492	0.5
57.07078	5.7
58.06609	1.7
68.05048	0.4
68.15237	0.3
69.07060	0.5
70.06595	14.7
71.08624	2.1
71.55181	0.5
72.08144	0.5
74.88868	0.4
77.03893	0.4
85.10185	0.8
88.07633	18.1
95.04945	0.4
102.09187	13.6
105.03393	13.6
105.07006	0.3
129.67162	0.4
131.04948	0.6
149.02353	9.0
149.05986	54.4
175.03964	0.4
181.06468	1.3
193.04967	8.6
193.06743	0.4
202.92113	0.3
212.23738	0.6
219.06378	0.7
256.23483	0.7
256.26355	45.1
297.07596	12.9
341.10205	49.5
346.56335	0.4
391.46298	0.3
519.57880	0.3
570.34265	100.0
571.34625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51274	0.3
67.05508	0.7
69.70845	1.7
70.06575	0.3
71.73467	0.3
79.05470	0.5
81.03418	0.5
81.07053	0.5
83.04974	0.6
85.02901	0.3
86.09694	1.6
87.09986	0.3
91.05468	0.4
93.07037	0.6
95.08616	0.5
97.06548	1.7
102.25471	0.3
104.10757	0.5
107.08583	0.3
119.08643	0.4
125.00032	1.0
133.10159	0.6
163.03937	0.4
184.07350	3.1
185.04227	1.0
185.07689	0.6
186.07751	0.3
197.05829	0.3
201.03761	0.4
202.54102	0.3
203.05255	1.1
259.07794	1.2
295.31094	0.3
331.09872	1.2
333.19830	0.3
395.14554	1.7
407.23969	1.4
457.20343	2.0
471.22064	2.0
483.22067	0.7
487.21451	1.1
499.21564	0.4
523.19336	1.0
551.18817	1.8
551.27344	0.6
569.19885	25.4
569.29120	100.0
570.29535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30053	0.2
69.07081	0.3
69.76958	0.4
69.77356	0.8
72.46716	0.2
73.65990	0.2
74.51428	0.2
75.52419	0.2
77.92792	0.2
83.01093	0.3
85.02894	0.3
86.09691	0.4
97.06539	0.3
184.07312	1.0
185.04265	0.5
201.03656	0.3
203.05328	1.0
246.40536	0.2
259.07922	1.4
331.10059	0.7
333.19891	0.3
407.24179	1.6
457.20505	1.9
471.21997	2.2
487.21246	0.5
569.29321	100.0
570.29987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42286	0.2
55.05502	0.2
56.65508	0.2
56.96553	0.3
58.06605	0.2
58.99673	0.2
60.08157	0.9
70.14386	0.7
71.07384	0.5
79.05488	0.3
81.07094	0.3
85.02937	0.2
86.09715	3.6
87.10045	0.7
95.04976	0.2
97.06498	0.4
98.98473	0.4
104.10741	0.5
109.10185	0.3
125.00005	2.5
149.32990	0.3
153.00037	0.2
159.95877	0.2
184.07350	11.5
185.04231	0.4
185.07701	2.5
190.12083	0.2
198.12555	0.2
203.05275	1.4
240.09883	0.4
247.08574	0.2
259.07971	1.1
269.10617	0.3
277.09131	0.2
295.14709	0.3
295.64273	0.9
309.16623	0.3
311.11212	0.2
325.16199	0.3
331.10217	0.5
333.20358	0.3
404.90271	0.2
407.24146	1.4
422.75491	0.2
431.18842	0.6
445.20718	0.3
457.20465	2.6
471.22015	2.8
487.21655	1.3
551.18945	0.4
569.29297	100.0
570.29700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.88086	2.3
55.01870	2.7
55.05503	8.3
55.90055	2.2
62.24250	2.3
67.05496	10.2
69.03436	15.2
69.07064	8.9
70.06611	12.4
71.04986	11.2
71.14371	4.1
79.05499	14.1
80.33216	2.3
81.03420	19.6
81.07053	24.8
83.04985	18.6
83.08609	2.9
85.02908	14.8
85.06548	7.3
86.09693	7.5
87.00830	2.3
87.04453	2.4
91.05475	9.4
93.07052	30.0
95.04967	13.7
95.08615	29.1
97.02874	7.1
97.06541	20.4
99.04479	16.7
101.06020	11.9
105.07031	25.5
107.04900	3.5
107.08620	16.0
109.02903	19.8
109.06519	16.4
109.10159	6.5
111.04441	4.2
111.08092	12.2
113.05961	3.7
117.06978	3.4
119.08575	16.6
121.06516	45.9
121.10181	6.9
123.04470	3.4
123.08105	6.3
123.11752	4.4
125.05998	16.2
127.03958	21.2
127.07564	7.9
129.05516	3.1
129.10217	3.3
131.08577	5.1
133.10136	10.7
135.04414	3.5
135.08058	8.0
135.11674	2.9
137.05966	11.5
139.07527	11.6
143.07068	15.6
143.08548	4.3
145.10130	5.8
147.08049	6.1
147.11693	30.7
149.13188	3.3
151.07521	2.9
151.11151	6.2
157.08594	5.4
157.10124	12.8
159.06511	7.0
159.07787	2.6
159.11646	3.4
161.06027	2.6
161.09604	2.6
161.13217	4.6
165.12750	11.0
167.07069	14.7
168.07309	4.9
169.12215	12.6
171.11688	10.9
173.09599	3.2
173.13283	3.4
175.07474	3.5
175.11159	20.2
177.09332	2.5
179.07239	2.3
181.05304	4.9
181.10159	4.8
184.07301	4.8
187.05992	4.4
189.12779	21.6
191.14417	3.2
193.12244	22.9
199.11147	16.4
207.13809	10.8
211.13272	19.8
217.12239	49.4
229.14395	8.2
235.13315	62.4
237.11157	2.7
253.14375	100.0
271.15399	16.5
287.05432	5.4
287.18018	2.9
289.16550	5.9
298.04907	2.8
303.19525	3.4
305.12344	7.1
321.20520	3.0
343.15628	2.7
345.04544	5.9
361.02301	4.8
361.16595	4.8
379.17477	10.8
397.18555	19.2
415.19644	5.2
569.22858	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	569.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.88086	2.3
55.01870	2.7
55.05503	8.3
55.90055	2.2
62.24250	2.3
67.05496	10.2
69.03436	15.2
69.07064	8.9
70.06611	12.4
71.04986	11.2
71.14371	4.1
79.05499	14.1
80.33216	2.3
81.03420	19.6
81.07053	24.8
83.04985	18.6
83.08609	2.9
85.02908	14.8
85.06548	7.3
86.09693	7.5
87.00830	2.3
87.04453	2.4
91.05475	9.4
93.07052	30.0
95.04967	13.7
95.08615	29.1
97.02874	7.1
97.06541	20.4
99.04479	16.7
101.06020	11.9
105.07031	25.5
107.04900	3.5
107.08620	16.0
109.02903	19.8
109.06519	16.4
109.10159	6.5
111.04441	4.2
111.08092	12.2
113.05961	3.7
117.06978	3.4
119.08575	16.6
121.06516	45.9
121.10181	6.9
123.04470	3.4
123.08105	6.3
123.11752	4.4
125.05998	16.2
127.03958	21.2
127.07564	7.9
129.05516	3.1
129.10217	3.3
131.08577	5.1
133.10136	10.7
135.04414	3.5
135.08058	8.0
135.11674	2.9
137.05966	11.5
139.07527	11.6
143.07068	15.6
143.08548	4.3
145.10130	5.8
147.08049	6.1
147.11693	30.7
149.13188	3.3
151.07521	2.9
151.11151	6.2
157.08594	5.4
157.10124	12.8
159.06511	7.0
159.07787	2.6
159.11646	3.4
161.06027	2.6
161.09604	2.6
161.13217	4.6
165.12750	11.0
167.07069	14.7
168.07309	4.9
169.12215	12.6
171.11688	10.9
173.09599	3.2
173.13283	3.4
175.07474	3.5
175.11159	20.2
177.09332	2.5
179.07239	2.3
181.05304	4.9
181.10159	4.8
184.07301	4.8
187.05992	4.4
189.12779	21.6
191.14417	3.2
193.12244	22.9
199.11147	16.4
207.13809	10.8
211.13272	19.8
217.12239	49.4
229.14395	8.2
235.13315	62.4
237.11157	2.7
253.14375	100.0
271.15399	16.5
287.05432	5.4
287.18018	2.9
289.16550	5.9
298.04907	2.8
303.19525	3.4
305.12344	7.1
321.20520	3.0
343.15628	2.7
345.04544	5.9
361.02301	4.8
361.16595	4.8
379.17477	10.8
397.18555	19.2
415.19644	5.2
569.22858	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	569.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.9
58.13894	0.9
58.29193	0.8
67.05500	1.7
69.07056	1.0
70.72060	2.2
79.05474	1.3
81.07047	1.7
84.96017	0.8
86.09681	1.0
91.05534	0.9
93.07048	1.4
98.20802	0.9
98.97589	11.9
107.51730	0.9
110.97551	2.0
112.99133	7.0
114.72098	0.8
116.98613	4.8
124.99135	1.2
128.98615	2.7
131.00180	9.6
143.00124	2.4
146.99666	1.1
149.01236	9.0
158.99655	3.7
161.01230	2.0
167.02432	1.2
170.99605	1.1
173.01237	1.4
177.00694	4.3
184.07330	2.5
189.00673	1.4
191.02272	1.4
199.02837	1.8
203.02240	2.0
209.01230	1.0
219.01785	1.3
233.03336	1.6
245.11969	0.9
269.44684	1.0
275.04285	4.4
293.05475	10.6
311.06555	2.1
315.16275	7.9
333.17377	15.2
334.07800	1.3
351.18387	10.0
351.72989	0.9
356.19110	1.5
374.20038	1.8
393.19547	2.4
409.17728	0.9
532.05164	1.0
551.25214	2.5
569.27087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
56.96573	0.7
57.03432	1.9
58.06604	2.4
60.04525	1.1
61.02929	0.7
67.05512	5.4
68.05037	9.2
69.03433	2.2
69.07069	1.7
70.06597	8.2
71.04998	2.0
72.08178	0.7
79.05511	2.7
81.03429	0.9
81.07063	5.4
83.05006	0.7
83.08624	1.1
84.04509	0.7
84.08157	0.8
85.02919	5.6
85.06559	1.3
86.02435	0.9
86.06077	7.8
86.09702	0.6
87.04475	1.5
91.05481	1.8
93.07049	4.0
95.04982	0.6
95.08619	6.4
97.02907	2.1
97.06531	1.1
98.97594	1.8
99.08098	0.6
102.05550	1.1
102.50648	0.4
104.07112	100.0
105.07014	2.4
107.08612	3.3
109.02900	0.8
109.06554	0.7
109.10191	3.3
110.36326	0.4
111.08112	1.2
116.98681	0.5
119.08646	2.2
121.06522	0.5
121.10166	2.4
123.08067	1.1
127.03932	1.3
130.05008	5.9
130.06512	1.0
131.08588	1.3
132.04491	0.6
133.06479	0.5
133.10153	3.3
135.08034	0.6
135.11710	2.1
143.08611	0.6
145.02866	0.8
145.10149	0.9
147.11722	3.4
149.09683	1.2
149.13275	0.8
151.11261	0.8
157.07640	1.6
157.09744	0.9
158.06026	1.1
159.11748	0.6
161.13290	1.3
167.14397	0.6
171.11728	0.7
172.09676	2.2
175.08768	2.3
175.14873	0.5
177.05482	0.6
185.07219	0.6
185.09251	1.1
186.11346	1.0
189.12831	0.9
189.16400	1.6
191.14345	0.9
200.12726	1.1
203.17998	0.8
206.66096	0.5
207.13831	1.3
208.50587	0.5
209.15451	1.6
213.16426	1.3
214.14444	1.7
216.12247	2.5
221.18831	0.6
231.17256	0.7
240.15857	0.5
241.08559	0.8
242.13777	0.5
243.10190	1.1
254.17673	0.5
263.09805	0.5
282.20609	2.0
304.05353	1.6
312.21869	0.6
334.23849	2.2
352.24854	10.7
366.14560	2.1
370.25916	28.5
375.14474	1.0
388.26947	15.3
406.28033	48.5
406.67551	0.5
407.18216	0.7
568.26099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05027	0.5
58.06606	0.3
60.08166	6.0
60.60146	0.2
60.81948	0.1
67.05498	0.4
69.16216	1.8
71.07375	3.1
79.05512	0.3
81.07043	0.4
85.02914	0.3
86.09706	28.7
89.99285	0.1
91.05495	0.4
93.07030	0.3
95.46932	0.1
98.20788	0.3
98.98466	2.5
99.76474	0.1
104.10744	3.1
107.08582	0.2
118.87768	0.2
119.08554	0.2
125.00006	19.9
147.85179	0.2
148.84137	0.2
184.07343	100.0
185.07704	0.2
285.20786	0.2
352.82098	0.2
373.13968	0.5
412.21054	1.8
452.24139	1.0
475.29532	0.2
505.94046	0.2
514.29376	0.6
532.30414	1.3
550.31427	2.6
568.32520	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	568.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
57.03446	2.4
58.06607	2.3
60.04536	0.7
61.02924	0.7
67.05511	5.5
68.04678	0.7
68.05034	9.6
69.03432	2.3
69.07064	1.7
70.06599	2.3
70.09254	0.8
70.09638	0.8
71.04996	1.3
73.12454	0.4
76.83031	0.4
79.05489	3.2
81.03412	0.7
81.07056	5.8
84.04527	0.5
84.08145	0.9
85.02914	5.7
85.03391	0.7
85.06544	0.8
86.02402	0.7
86.06068	7.5
86.09705	0.8
87.04465	0.5
91.05485	2.6
93.07041	3.6
95.08613	5.3
97.02897	1.8
98.20811	0.4
99.04456	0.8
102.05556	0.5
104.07108	100.0
105.07027	2.2
107.04951	0.5
107.08588	3.0
109.02906	1.2
109.06500	0.5
109.10180	2.4
111.04448	0.5
111.08073	1.4
119.08584	2.9
121.10104	2.4
123.11694	1.0
125.09644	0.8
127.03943	0.8
129.07021	0.6
130.05040	3.9
131.08525	0.7
133.10147	2.1
135.11690	1.9
136.07483	0.5
143.08551	0.8
145.04890	0.5
145.10190	0.8
147.11687	2.6
149.13245	0.9
157.10072	0.7
159.11699	1.1
161.13326	0.6
163.11267	0.6
172.09695	1.3
173.13223	0.9
175.14835	1.2
186.11263	0.8
189.12733	0.4
189.16434	0.9
200.12859	1.9
202.10458	0.5
203.17969	2.0
213.16437	0.6
216.12387	1.8
221.18938	0.7
226.14432	0.4
228.12473	0.5
231.17436	0.9
241.08586	0.7
282.20728	0.9
312.21826	0.4
334.23743	1.1
352.24786	8.8
357.09946	0.4
370.25894	22.6
388.26965	12.8
405.52890	0.4
406.28012	66.2
529.77765	0.5
568.32935	0.8
581.40497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.1
56.05038	0.4
57.03437	0.3
57.99731	0.1
58.06592	2.8
59.07384	2.1
60.08166	6.2
65.03956	0.1
67.05505	0.5
69.03442	0.2
69.07069	0.2
69.49166	0.1
69.49493	0.9
70.06599	0.1
71.04984	0.1
71.07382	2.5
78.93606	0.1
79.05492	0.3
81.07053	0.3
86.09711	28.0
91.05474	0.2
91.57653	0.1
93.07060	0.2
95.04945	0.1
95.08599	0.2
97.06526	0.3
98.81626	0.1
98.97541	0.1
98.97832	0.2
98.98466	2.5
104.10751	4.1
109.10143	0.3
116.47089	0.1
119.08585	0.2
125.00011	18.5
129.05479	0.2
135.11664	0.1
143.01076	0.2
168.04247	0.4
184.07349	100.0
210.08897	0.7
239.09218	1.6
258.11142	0.2
299.11194	0.3
312.11948	0.3
331.10376	0.3
371.26651	0.1
412.20776	0.5
432.54575	0.1
462.22549	0.2
480.23480	0.3
534.31543	0.5
550.30933	0.4
568.33032	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	568.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.05506	12.1
57.03438	7.5
60.04528	4.4
61.02931	7.3
67.05499	14.6
68.04986	5.0
69.03424	17.6
69.07073	13.1
70.06586	14.2
71.05001	10.1
71.53828	6.6
72.08146	10.3
74.02351	4.5
79.05479	13.1
80.56233	4.9
81.03411	13.7
81.07064	25.4
83.04986	21.8
83.08613	11.5
84.04495	5.4
84.08154	7.2
85.02907	37.2
85.06541	7.0
85.90370	4.3
86.06065	14.4
86.09727	6.9
87.04470	22.9
88.07621	13.4
91.05489	18.1
93.07056	30.7
95.04955	27.2
95.08591	12.1
97.02872	14.9
97.06534	18.3
98.06041	12.6
98.97569	13.3
99.04427	5.9
104.07104	44.4
105.07041	24.2
107.04976	5.5
107.08628	36.5
109.02837	4.7
109.06527	28.3
109.10165	26.2
111.04472	5.3
111.08092	5.6
115.07558	5.4
116.89045	4.2
116.98630	9.5
118.51283	4.6
119.08620	21.9
121.06538	6.4
121.10130	27.9
123.04376	7.9
123.08034	10.6
123.11714	7.2
125.09656	7.2
127.03975	6.3
129.88875	4.5
131.08574	24.8
133.10141	58.3
135.08124	11.1
135.11688	17.1
137.02301	5.6
137.09654	4.8
139.11182	8.8
143.08559	6.2
145.04980	12.3
145.10123	8.4
147.11702	22.9
149.09636	14.6
149.13268	9.5
151.11150	7.1
153.09106	19.8
163.03951	5.0
164.06984	7.5
165.05504	9.4
165.12808	5.1
167.14360	12.3
173.13255	64.7
175.14848	22.8
191.14297	55.3
193.04932	25.9
209.11797	7.9
209.15379	100.0
227.12862	7.4
227.16408	52.4
241.08618	7.5
243.10342	8.0
244.61761	4.7
252.15924	4.7
267.15903	4.3
320.11566	5.9
362.21732	10.8
370.25815	5.2
388.23288	18.2
406.27896	12.9
483.85333	4.8
550.28784	37.8
568.19531	8.0
568.32971	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	567.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33125	0.5
53.03935	0.7
55.05494	1.2
57.03432	0.6
57.07120	0.4
67.05496	3.2
69.03423	0.6
69.07056	1.0
69.12650	0.4
71.05000	1.1
71.53870	0.6
79.05511	2.3
81.03428	2.4
81.06644	0.4
81.07053	2.5
83.04965	0.9
83.08634	0.6
85.02891	1.2
86.09695	0.8
89.27842	0.4
91.05475	1.8
93.07050	1.3
95.04965	1.3
95.08616	1.2
97.02904	0.4
97.06509	0.7
99.22753	0.4
105.07024	1.5
109.10157	0.9
111.08113	0.6
119.08582	1.3
121.10138	1.0
122.00803	0.4
125.79009	0.5
129.06984	0.8
131.08560	0.9
133.10139	1.4
145.10078	0.6
147.11732	1.3
149.09581	0.9
157.10117	1.1
175.11295	0.4
184.07341	1.8
193.12192	1.0
233.11441	0.5
251.12506	1.6
269.17459	0.5
283.15167	11.3
307.15073	1.1
339.14993	0.4
339.17883	4.9
380.74673	0.5
477.24274	0.5
508.67926	0.5
549.27539	0.7
567.31641	100.0
568.31604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
57.03440	0.8
59.05001	0.4
62.76097	0.3
67.05502	2.0
69.07072	0.6
69.20146	2.7
71.05009	0.5
79.05512	1.2
81.03422	2.2
81.07062	2.0
83.03939	0.4
83.04993	0.8
83.08633	0.7
85.02917	1.6
86.09737	0.4
91.05482	1.5
91.71143	0.3
93.07048	1.6
95.04974	1.0
95.08627	0.9
97.02914	0.3
97.06546	0.5
97.85753	0.3
97.92856	0.3
105.07049	1.7
107.08617	0.6
109.06557	0.3
109.10192	0.8
111.08047	0.4
119.08620	1.2
121.10197	0.9
123.08144	0.3
123.29094	0.3
129.07094	0.6
131.08560	0.7
133.10182	0.6
147.11798	0.9
149.09677	0.9
157.10217	0.5
168.09981	0.3
175.11182	0.7
181.87042	0.3
184.07402	0.7
193.12363	0.9
193.83865	0.3
229.07582	0.3
233.11700	0.6
251.12656	0.9
267.15952	0.3
273.21722	0.3
283.15186	10.5
285.10312	0.5
285.17133	0.3
307.15375	1.2
331.10162	0.3
339.17786	4.5
348.63214	0.4
405.22513	0.4
567.31616	100.0
568.31812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05515	0.2
56.34535	0.2
56.96556	0.5
59.74301	0.2
60.08186	0.2
62.07420	0.2
62.33184	0.2
67.05492	0.9
69.03410	0.4
69.07064	0.4
71.05003	0.3
71.35738	0.3
73.02914	0.2
79.05491	0.2
81.03425	0.3
81.07067	0.5
83.01118	0.6
83.04964	0.3
86.09721	1.0
91.05492	0.2
93.07050	0.3
94.56639	0.2
95.01125	0.3
95.08590	0.5
96.01881	0.2
97.02873	0.3
97.06503	0.5
101.12389	0.2
105.07054	0.3
107.08605	0.2
108.90885	0.2
109.10144	0.5
112.60677	0.2
121.10110	0.2
124.99995	0.8
127.03893	0.2
133.10141	0.3
156.03775	0.2
157.04677	0.2
184.03622	0.2
184.07365	2.9
185.04228	1.0
185.07703	0.6
197.81750	0.2
201.03682	0.8
203.05276	1.8
223.74818	0.2
259.07809	2.3
259.09897	0.2
269.12341	0.3
292.12546	0.5
299.23587	0.4
331.10025	2.1
331.18616	0.6
356.96045	0.2
359.13138	0.4
373.14368	0.3
387.16226	1.1
401.17703	0.5
405.22485	1.7
469.20364	0.8
485.19781	0.3
567.27740	100.0
568.28107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.96559	0.4
65.24990	0.3
67.05513	0.9
69.03426	0.6
69.07068	0.6
70.06603	0.3
71.05007	0.5
74.28787	0.3
75.00784	0.3
79.05496	0.8
81.03436	0.4
81.07056	0.8
83.04993	0.4
85.02928	0.4
85.06532	0.3
86.09710	1.7
87.83717	0.3
91.05500	0.5
93.07086	0.6
95.04952	0.4
95.08611	0.6
97.06537	1.6
97.10235	0.3
98.20731	0.6
105.07040	0.4
107.08627	0.4
109.10172	0.6
120.08125	1.5
121.10203	0.5
125.00038	1.1
125.18838	0.2
131.08580	0.3
137.06052	0.3
141.30605	0.3
145.10155	0.4
146.06299	0.3
163.03918	0.9
184.07344	4.4
184.08833	0.5
185.04294	0.4
185.07811	0.5
203.05351	0.9
215.07129	0.6
235.67432	0.3
259.07855	1.2
259.10120	0.6
267.15549	0.3
284.22256	0.4
331.09961	0.5
331.18918	0.6
375.17090	0.4
381.35367	0.3
387.21317	0.3
405.22552	2.1
421.08746	0.6
431.18784	1.9
539.28925	0.4
567.27789	100.0
568.28076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2779
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
67.05486	1.2
69.03406	0.5
69.07070	0.5
69.85748	1.0
69.86159	0.6
71.04993	0.5
79.05492	0.8
81.03413	0.9
81.07060	0.8
83.01086	0.4
83.04993	0.5
86.09683	0.7
86.92922	0.3
91.05487	0.6
93.07050	0.8
94.81142	0.3
95.01089	0.5
97.02839	0.3
98.20938	0.4
106.99898	0.3
107.08626	0.5
109.10138	1.1
112.95914	0.3
121.10114	0.6
123.26128	0.3
125.00010	0.4
126.27792	0.3
133.10126	0.4
184.07292	1.9
185.04219	0.7
201.03500	0.3
203.05249	1.3
251.12410	0.4
259.07813	1.6
283.14902	0.4
286.63794	0.3
307.15027	0.7
331.10098	2.9
331.18698	0.5
373.14630	0.9
387.16663	0.7
387.21426	1.4
405.22174	1.4
455.18820	1.4
469.20352	4.6
498.20761	0.6
510.51794	0.4
539.28186	0.4
549.26746	21.0
567.27643	100.0
568.27820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.05512	12.6
57.07075	1.7
59.05006	1.7
65.03925	1.7
67.05510	24.0
67.62720	1.4
69.07072	11.6
69.25986	1.3
69.95432	7.0
72.39381	1.4
79.05499	58.5
81.07061	33.8
83.04961	2.6
83.08612	6.0
85.06554	2.0
91.05486	22.4
93.07051	73.3
95.04971	5.4
95.08620	27.1
97.06503	2.3
97.10154	3.6
98.21478	1.9
98.65078	1.4
105.04527	1.7
105.07027	16.9
107.07880	2.8
107.08601	45.0
109.10165	12.0
110.70617	1.3
111.04405	3.1
111.08070	1.9
117.07018	5.2
119.08597	15.6
121.10149	41.0
123.08102	2.0
123.11699	3.2
125.09707	2.0
129.07034	2.0
131.08572	5.1
133.10150	15.0
135.11700	46.1
143.08562	3.6
145.10153	5.2
147.11693	10.3
149.09636	3.8
149.13260	25.0
151.11223	1.9
153.12852	1.6
157.10193	3.7
159.11697	6.0
161.13257	6.2
163.11191	4.7
163.14816	9.0
171.11685	3.9
173.13277	3.4
175.14877	6.9
177.12717	2.2
181.12215	3.7
185.13278	3.9
189.12741	3.0
199.14723	2.5
209.15289	3.0
213.16371	1.4
221.15436	2.6
227.12828	4.4
231.17494	3.5
235.16927	1.7
241.14391	5.2
241.19522	7.1
249.18307	2.3
259.20605	12.0
291.23212	100.0
522.23590	1.6
566.40527	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	566.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05029	0.6
56.48281	0.3
56.96551	0.5
60.07891	0.5
60.08166	5.9
63.59381	0.3
67.05503	1.0
69.07084	0.5
69.22000	0.6
69.22402	2.7
70.06598	0.4
71.07376	3.1
79.05488	0.8
81.07052	0.9
86.09711	28.0
93.07040	0.8
95.08605	0.5
97.06535	0.3
98.98475	2.9
104.10748	3.8
105.07053	0.4
119.08564	0.5
125.00015	19.5
168.92833	0.3
184.07352	100.0
246.29886	0.3
264.20486	0.4
269.10440	0.5
358.46848	0.4
405.62802	0.4
461.20355	0.4
466.25781	0.4
516.31122	0.4
534.31976	1.2
548.33447	1.1
566.30048	1.3
566.34418	1.7
567.25745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01883	3.9
55.05521	13.3
57.03438	9.5
61.02929	4.5
67.05508	34.3
69.03425	7.1
69.07069	15.4
70.06576	3.8
71.04992	4.1
71.08627	11.6
71.54573	2.5
75.01949	2.5
79.05495	28.7
81.03411	8.0
81.07057	37.8
83.04973	7.7
83.08612	13.6
85.02915	5.1
86.09708	12.3
90.28196	2.6
91.03951	4.2
91.05473	19.4
93.07041	33.9
95.04974	7.6
95.08594	16.8
97.02866	6.3
97.06522	10.7
97.10136	3.0
98.97570	2.8
98.98503	3.3
99.08105	9.6
105.07037	10.0
107.08590	14.9
109.10167	8.2
114.80235	2.7
117.07029	5.6
119.08581	7.1
121.10139	8.5
125.00011	9.3
125.09636	5.5
127.03885	2.4
129.06964	2.9
131.08560	9.1
133.10139	11.6
135.11694	6.3
135.78079	2.8
137.56021	2.8
145.10126	3.8
147.11650	4.1
149.13268	14.5
151.11168	8.6
159.11687	13.5
161.13295	5.4
163.11192	3.2
171.11690	4.3
177.12740	22.7
179.14355	9.8
184.07376	30.0
185.13300	4.3
195.13817	8.0
227.12672	4.1
229.14441	3.9
232.16580	2.6
241.83385	2.6
251.16333	3.5
259.20618	4.2
269.17487	100.0
277.21533	12.5
285.09830	2.9
351.25281	38.3
369.26474	6.5
566.26343	5.0
566.35114	3.9
567.30475	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	566.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01883	3.9
55.05521	13.3
57.03438	9.5
61.02929	4.5
67.05508	34.3
69.03425	7.1
69.07069	15.4
70.06576	3.8
71.04992	4.1
71.08627	11.6
71.54573	2.5
75.01949	2.5
79.05495	28.7
81.03411	8.0
81.07057	37.8
83.04973	7.7
83.08612	13.6
85.02915	5.1
86.09708	12.3
90.28196	2.6
91.03951	4.2
91.05473	19.4
93.07041	33.9
95.04974	7.6
95.08594	16.8
97.02866	6.3
97.06522	10.7
97.10136	3.0
98.97570	2.8
98.98503	3.3
99.08105	9.6
105.07037	10.0
107.08590	14.9
109.10167	8.2
114.80235	2.7
117.07029	5.6
119.08581	7.1
121.10139	8.5
125.00011	9.3
125.09636	5.5
127.03885	2.4
129.06964	2.9
131.08560	9.1
133.10139	11.6
135.11694	6.3
135.78079	2.8
137.56021	2.8
145.10126	3.8
147.11650	4.1
149.13268	14.5
151.11168	8.6
159.11687	13.5
161.13295	5.4
163.11192	3.2
171.11690	4.3
177.12740	22.7
179.14355	9.8
184.07376	30.0
185.13300	4.3
195.13817	8.0
227.12672	4.1
229.14441	3.9
232.16580	2.6
241.83385	2.6
251.16333	3.5
259.20618	4.2
269.17487	100.0
277.21533	12.5
285.09830	2.9
351.25281	38.3
369.26474	6.5
566.26343	5.0
566.35114	3.9
567.30475	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	566.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
55.05510	0.3
55.30996	0.1
56.05038	0.6
56.45963	0.1
56.54657	0.1
56.96566	0.5
57.03433	0.4
58.06599	2.0
59.07383	1.7
60.08169	5.8
62.41579	0.1
65.03949	0.1
67.05510	1.0
68.05831	0.2
68.40633	0.1
69.03429	0.2
69.07076	0.7
69.77402	0.6
69.77818	0.3
70.06583	0.4
71.04995	0.6
71.07375	2.3
71.16033	0.2
71.95275	0.1
77.20908	0.2
79.05506	0.8
80.05805	0.2
81.03419	0.5
81.07063	0.8
82.07414	0.2
83.04970	0.4
83.08640	0.2
85.02913	0.6
86.09712	28.2
91.05485	0.6
92.05811	0.2
93.07059	0.6
95.04980	0.4
95.08613	0.5
97.02903	0.3
97.06529	2.8
98.06872	0.5
98.97598	0.4
98.98474	2.7
104.10752	3.7
105.07031	0.5
107.08569	0.4
109.06575	0.2
109.10147	0.5
111.04416	0.2
111.08157	0.2
112.99093	0.2
119.08597	0.5
119.44725	0.2
121.10147	0.3
125.00014	18.1
128.98611	0.2
129.05475	0.4
129.06934	0.2
131.08522	0.2
131.17505	0.2
133.10147	0.3
135.04434	0.2
136.91016	0.2
145.10100	0.2
147.11726	0.2
159.04321	0.2
163.03915	0.8
164.04274	0.3
168.04265	0.2
169.10184	0.2
184.07352	100.0
185.07632	0.2
188.07849	0.2
200.02609	0.2
200.04396	0.2
201.09053	0.2
210.08942	0.8
213.05553	0.2
217.08553	0.2
237.02721	0.2
239.09177	0.9
259.09683	0.4
275.62527	0.2
293.13284	0.6
299.11520	0.2
305.10678	0.3
310.15082	0.3
312.12415	0.6
328.16333	0.3
331.10114	0.4
337.14359	0.4
338.14612	0.7
355.15164	0.7
356.15933	0.9
357.15915	0.4
373.16342	0.4
374.16904	1.2
412.20996	0.3
438.22687	0.2
462.22278	0.7
463.32443	0.2
480.23352	0.5
493.27191	0.2
532.30420	0.4
548.29700	0.7
566.23376	0.5
566.31537	1.8
585.16504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
57.03431	0.1
57.08833	0.1
58.06587	1.7
59.07378	1.4
60.08168	5.5
67.05499	0.5
69.07066	0.4
70.06590	0.2
70.17672	0.6
71.07381	2.5
73.02930	0.1
79.05489	0.4
81.03413	0.2
81.07051	0.4
83.04966	0.2
83.08617	0.2
84.45679	0.1
86.09709	28.7
91.05505	0.2
93.07027	0.4
97.06532	0.3
98.98463	2.5
104.10748	4.4
105.07025	0.2
109.06505	0.2
109.10189	0.2
119.08595	0.2
125.00009	19.8
129.05438	0.1
135.11710	0.1
137.06001	0.3
138.43976	0.2
144.65877	0.1
163.03838	0.2
168.04141	0.3
184.07344	100.0
185.07680	0.2
199.03845	0.1
210.08867	0.7
239.09236	1.1
258.11023	0.2
267.12973	0.1
280.78653	0.2
293.13376	0.1
299.11356	0.3
300.31644	0.1
312.12064	0.2
331.10123	0.2
338.14609	0.3
374.16852	0.2
389.90802	0.2
412.20923	0.4
438.22668	0.2
462.22501	0.6
480.23438	0.3
532.30646	0.3
548.29858	0.6
566.31030	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	566.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41764	1.7
52.70995	1.9
53.03949	4.0
55.05505	5.7
60.08147	2.2
67.05498	9.1
69.03436	18.8
69.07076	24.5
69.24892	18.9
70.06570	4.4
71.04994	10.9
79.05494	16.0
81.03418	7.9
81.07067	15.8
83.04985	57.1
85.02898	7.6
85.06541	5.3
86.09707	15.6
87.04472	2.1
88.52564	1.9
91.05484	14.0
93.07053	16.0
95.04969	11.5
95.08597	6.1
97.02892	7.0
97.06533	52.3
99.04465	16.4
101.06011	3.6
103.05460	2.9
105.07038	51.5
107.04982	9.3
107.08594	17.7
109.02856	4.8
109.06513	17.2
111.04442	3.0
112.07552	2.7
113.06021	3.5
115.03876	2.3
117.07016	11.8
119.04942	8.1
119.08589	17.6
121.02850	2.1
121.06512	34.0
121.10132	6.3
123.08080	2.8
125.00024	7.2
125.05998	87.7
127.03922	6.8
127.07524	3.2
128.06291	2.5
129.07040	5.1
130.07791	4.4
131.08548	19.6
133.06508	9.8
133.10167	9.2
135.04437	2.6
135.08092	5.2
137.05969	4.0
139.07582	5.2
140.07059	2.0
141.05438	2.0
141.06995	4.8
143.07042	63.9
143.08563	5.2
144.09402	4.0
145.05107	1.9
145.06503	7.3
145.10130	100.0
147.07988	2.9
147.11678	3.6
149.06100	2.6
151.07547	11.9
154.07768	6.3
155.08524	2.5
157.08659	3.8
157.10089	2.4
158.07274	6.7
159.08072	8.6
159.11690	37.0
161.09615	2.9
163.07614	2.7
163.11162	25.2
167.07091	2.1
167.08496	1.9
169.10159	10.8
172.08830	2.7
173.09633	63.4
177.12755	10.8
179.08585	2.1
184.07361	47.4
186.07732	1.9
187.11200	66.9
189.12744	4.3
191.10681	27.2
197.09660	11.8
205.12256	72.5
205.14192	3.8
209.11722	14.9
209.15195	2.0
215.10686	72.3
223.13324	7.6
233.11739	89.1
251.12794	59.5
269.13843	23.0
275.12598	2.0
287.05429	4.1
288.05853	6.4
359.14862	4.5
377.15891	12.4
386.21802	3.1
395.17053	15.7
404.22940	2.9
413.17996	36.3
548.29761	3.9
566.22064	2.3
566.31641	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	566.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01870	5.9
55.05505	8.4
60.08177	3.3
67.05497	10.1
69.03439	16.2
69.06782	2.5
69.07069	27.4
69.73162	2.2
70.06590	4.3
71.05003	12.1
71.54028	3.5
79.05486	27.1
81.03413	11.9
81.07063	25.2
83.04986	84.0
85.02901	9.8
85.06532	5.6
86.09698	16.4
87.24893	2.4
91.05490	23.4
93.07042	28.9
95.04958	19.0
95.08605	10.9
97.02885	6.9
97.06535	63.5
99.04462	21.0
101.06009	5.6
103.05460	3.0
105.07032	59.6
107.04969	11.7
107.08613	18.6
109.02892	3.0
109.06519	19.1
109.10134	3.7
111.04423	4.0
111.08082	3.7
117.07008	14.4
118.09061	2.5
119.04965	7.9
119.08564	16.7
120.08092	3.7
121.06512	46.0
121.10125	8.3
123.04429	2.4
123.08046	6.6
124.99995	9.6
125.06001	92.4
127.03918	4.7
127.07560	3.1
128.06221	3.9
129.06969	7.6
130.07759	5.1
131.04970	2.8
131.08575	22.5
133.06523	12.6
133.10138	12.3
135.04408	5.6
135.08067	3.9
135.11740	4.6
137.05960	17.1
139.07539	6.9
141.07025	4.7
143.07036	66.8
143.08580	9.9
144.09300	6.1
145.06514	15.6
145.10127	96.9
147.08054	7.4
147.11629	5.8
149.05925	3.0
149.13266	3.8
151.07581	14.1
154.07803	5.1
155.08505	5.7
157.08591	6.7
157.10089	5.4
158.07269	8.9
159.08078	19.4
159.11693	40.5
161.06021	3.0
161.09648	6.7
163.07536	3.3
163.11174	41.5
169.10139	16.2
171.11656	3.0
172.08871	6.0
173.09622	79.8
177.12769	17.7
179.08577	2.5
181.12187	3.7
184.07364	52.1
187.11183	66.8
189.09070	3.7
189.12799	3.7
191.10667	29.0
195.13719	4.0
197.09595	11.9
201.09117	3.3
205.12251	64.8
207.13972	3.1
209.09903	2.7
209.11703	11.3
215.10678	77.0
223.13416	2.9
233.11728	100.0
237.18330	2.9
245.48987	2.5
251.12808	73.4
257.11838	2.5
266.28159	2.7
269.13782	19.4
275.12854	2.8
317.13922	2.7
359.14819	7.2
369.18939	6.1
377.15982	14.0
395.16821	11.5
413.18188	22.9
548.29840	2.7
566.30737	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	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.2
53.52132	3.2
55.05505	11.9
55.30305	2.9
57.07067	5.8
60.12079	2.9
65.03941	4.0
65.60417	2.9
67.05505	31.8
69.07072	17.6
70.43478	6.9
75.68759	2.7
76.15131	3.2
76.22919	3.0
79.05498	25.0
81.07057	37.2
83.08619	3.9
84.54368	3.1
89.06092	3.1
91.05479	46.6
93.07040	50.5
95.04965	5.1
95.08605	36.6
97.06458	4.3
103.05492	4.5
105.04511	3.3
105.07030	76.8
105.07700	6.2
107.08591	50.8
109.06529	4.4
109.10147	57.7
110.35136	3.1
117.07014	15.6
119.08573	100.0
119.09374	6.7
121.06546	3.2
121.09328	5.3
121.10141	58.0
123.08093	9.2
123.11695	11.7
128.06201	10.1
129.06996	10.1
131.08565	41.5
133.10129	55.0
135.08058	8.6
135.11708	39.3
141.06989	5.9
142.07787	17.0
143.08556	33.4
144.09343	6.4
145.10130	57.5
147.08066	5.2
147.11621	21.3
149.09648	6.5
149.13283	5.8
155.08510	21.5
156.09370	17.1
157.08946	5.9
157.10133	65.0
157.72382	3.4
158.10913	4.8
159.08046	7.9
159.11687	31.1
161.09492	3.4
161.13228	10.2
165.06898	5.4
167.08589	7.9
167.10695	9.1
168.09370	8.1
169.10115	23.1
170.10988	6.1
171.11685	30.0
173.09618	9.0
173.13264	24.1
175.11212	5.2
175.14809	34.7
179.08549	12.7
180.09247	4.1
181.10117	13.3
182.10941	13.0
183.11653	24.8
185.09727	3.8
185.13222	11.8
187.11230	5.8
187.14824	11.8
189.12683	6.9
189.16354	4.5
192.09230	4.5
193.10104	12.7
194.11023	7.3
195.11710	25.7
196.12477	5.9
197.13255	31.9
199.11169	9.9
199.14842	6.2
201.16386	10.7
206.11029	5.2
207.11638	16.1
208.12447	8.0
209.13264	17.9
211.11151	5.2
211.14822	10.1
213.12804	3.8
213.16383	9.9
220.12451	3.7
221.13208	8.4
223.14738	17.5
225.12645	6.6
227.17949	3.9
232.12569	3.3
233.13240	6.5
233.15396	5.2
235.14835	9.5
237.12747	4.6
237.16434	6.7
239.17973	7.8
241.16095	4.6
245.13330	4.3
247.14818	7.8
249.16441	5.3
253.19476	6.1
261.16382	6.5
263.17957	4.6
270.17703	2.9
273.18561	40.6
275.17825	5.0
279.21085	13.1
289.19589	3.6
291.20923	4.3
299.20078	62.2
303.21136	3.8
325.21719	4.5
332.93872	3.5
333.22421	3.9
343.24127	4.5
345.22052	3.6
363.22903	4.5
377.24747	3.7
387.62036	3.9
389.24854	4.7
430.28839	3.7
443.29260	6.9
444.30136	3.7
473.33914	8.8
547.39380	5.0
565.40460	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.05503	7.6
57.03442	2.0
57.07071	2.9
62.36595	1.4
65.03917	2.0
66.24430	1.4
66.92184	1.4
67.05513	11.2
69.03428	4.4
69.07069	5.9
71.00129	3.9
79.05495	9.6
81.07056	15.2
83.04987	7.7
84.14337	1.4
85.02924	1.8
91.05479	19.2
93.07044	23.8
95.04956	4.2
95.08614	16.2
97.02906	2.9
101.06025	2.6
103.05515	2.2
105.07038	33.8
107.08605	19.5
108.62606	1.7
109.06525	3.0
109.10141	13.1
111.04424	4.6
115.05467	2.1
117.07021	6.5
119.08591	35.4
121.10158	23.9
123.08092	5.0
123.11700	3.7
125.06004	2.4
128.06210	4.0
129.07033	6.3
130.07773	2.4
131.08556	12.0
133.10141	21.3
135.08075	4.1
135.11688	7.3
137.09613	4.3
141.07001	3.7
142.07780	8.8
143.08560	17.2
144.09349	3.3
145.10123	19.9
146.22859	1.5
147.08073	7.2
147.11711	4.9
149.09622	2.4
151.07535	2.6
154.07857	2.1
155.08600	9.3
156.09357	7.3
157.10133	24.8
158.10896	3.1
159.11687	12.7
161.13283	3.9
163.11194	4.8
165.07079	3.6
165.09128	15.7
167.08589	5.0
167.10698	3.4
168.09398	4.3
169.10138	12.5
170.10957	4.6
171.11699	14.1
173.09647	2.6
173.13293	9.6
175.14890	3.8
179.08597	6.9
180.09366	3.5
181.10112	8.2
181.12390	2.0
182.10927	3.6
183.11742	9.5
185.09756	2.5
185.13293	11.7
187.14861	2.8
189.12787	3.0
191.14250	2.1
192.09325	4.1
193.10187	4.9
194.11029	3.8
195.11713	10.3
195.13428	1.6
196.12451	2.7
197.13239	8.2
199.14832	5.6
201.16542	2.1
203.14317	6.1
205.10045	2.0
206.11002	4.4
207.11775	9.8
207.13673	2.7
208.12560	4.5
209.13249	11.1
211.14876	6.5
213.16425	4.2
219.11781	3.4
220.12479	3.7
221.13260	7.3
221.15433	29.7
222.14140	4.5
223.14835	6.1
225.16470	3.2
231.11734	2.3
232.12532	2.9
233.13287	5.2
233.15483	2.0
234.14113	2.0
235.14868	4.0
237.16389	4.9
243.11794	2.0
245.13287	4.2
246.14119	1.5
247.14771	3.2
248.15730	1.7
249.16393	2.7
251.17982	4.2
253.19548	2.4
259.14886	4.3
260.15662	2.5
261.16473	4.5
263.18057	4.6
265.19485	5.0
269.13373	1.8
269.18887	1.9
271.14890	3.4
273.16412	3.4
275.18011	3.3
277.19345	3.0
279.62756	1.5
289.19672	2.4
299.20346	2.1
331.24249	3.7
357.26019	4.3
365.24707	3.0
385.29031	4.9
473.34213	5.4
485.34396	3.1
495.35641	1.6
509.33752	1.8
512.32996	1.6
547.39252	4.5
565.40436	100.0
569.46344	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.05517	3.1
57.03438	1.6
61.02925	0.7
65.03950	1.0
67.05168	1.1
67.05502	7.7
69.03421	2.2
69.05460	0.6
69.07073	3.9
69.19315	6.3
69.29355	0.7
71.04989	2.1
79.05502	6.4
81.03435	4.2
81.07064	4.7
82.20741	0.6
83.04973	4.0
85.02925	3.5
85.06525	0.9
86.09709	2.6
91.05479	3.5
93.07038	4.6
95.04977	4.5
95.08622	2.9
97.02897	1.1
97.06538	30.1
97.10165	1.1
98.06883	2.2
105.07043	3.6
107.04980	1.0
107.08609	2.0
109.02856	0.7
109.10165	3.2
111.04475	1.8
115.05491	1.0
117.03378	0.9
117.07094	1.0
119.08588	2.2
121.02855	0.7
121.10152	2.0
123.08102	0.8
125.00056	1.7
128.06233	0.9
129.05544	1.3
129.07042	1.3
131.04897	0.7
131.08580	1.8
133.06567	0.8
133.10155	2.4
135.11746	0.8
137.09642	0.9
141.07018	0.8
143.08630	1.1
145.02831	1.1
145.06468	0.8
145.10168	1.6
146.06029	0.9
147.04396	0.6
147.11700	1.2
149.09627	1.6
157.06564	0.7
157.10120	1.5
159.04478	1.5
161.06009	3.1
163.03917	6.3
167.08560	1.2
169.06418	0.9
171.08115	1.6
173.02383	2.4
173.06018	2.2
173.11803	0.7
174.06709	0.6
175.03940	1.8
175.07631	1.4
177.05569	0.8
183.08089	1.7
184.07349	7.6
185.05989	1.3
185.07756	1.4
185.09674	1.0
187.03986	0.8
187.07596	2.3
188.07076	1.1
189.05554	1.4
189.09135	2.6
191.07043	1.1
195.08128	2.3
197.09711	1.0
199.07582	3.5
201.05479	1.4
201.09184	1.7
203.07162	1.2
211.07561	0.9
211.11218	1.6
213.03728	0.8
213.05608	3.0
213.09190	2.9
215.07118	1.6
215.10732	1.2
217.08643	1.9
223.07602	1.3
225.09277	0.8
227.07164	1.1
227.10718	0.8
229.08554	0.9
229.14372	0.7
231.10243	1.7
235.09592	0.7
239.10719	0.7
241.08665	2.4
241.12401	1.7
242.09129	1.1
253.12358	0.9
258.08722	0.7
259.09808	2.7
260.10092	1.3
267.13867	2.6
269.12167	0.9
276.09976	0.9
277.10699	1.1
283.13309	2.6
285.15015	1.3
287.12827	1.2
289.05453	0.9
293.11765	1.5
299.12830	1.0
299.20093	1.1
301.14319	1.0
309.14990	3.0
311.12973	4.3
311.16281	1.2
312.13266	1.7
313.14474	2.0
317.20947	6.6
327.15897	3.5
328.16251	1.2
329.13956	2.8
331.15579	2.6
337.14130	3.8
338.14615	0.9
355.15417	18.3
356.15634	5.2
373.16492	30.7
401.11362	1.5
419.12497	1.8
461.25067	1.4
479.26111	7.7
495.22015	0.7
503.26114	1.2
507.46173	0.7
521.27136	17.2
565.26251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01863	8.8
55.05511	25.3
57.03440	19.9
61.02932	18.8
62.24554	2.2
65.03947	5.1
67.05508	71.8
69.03426	11.2
69.07072	31.3
70.74648	7.2
71.05003	6.8
73.02901	6.0
79.05499	73.6
79.05927	2.5
81.03418	10.8
81.06596	4.5
81.07063	86.6
83.05013	12.3
83.08623	12.3
85.02906	20.4
85.06542	8.0
91.03951	11.3
91.05486	71.7
93.07052	100.0
93.07646	6.1
95.04970	12.9
95.08610	46.1
97.02905	14.8
97.06522	16.6
97.10151	4.6
98.09673	2.8
99.04364	2.8
99.08080	7.8
99.12971	2.7
103.05471	3.9
105.07035	59.7
105.93859	2.6
107.04958	6.2
107.08599	53.4
108.84841	3.1
109.02885	2.5
109.06502	3.5
109.10172	17.5
111.08071	6.8
113.09644	2.7
117.07023	22.9
119.08590	43.1
121.03144	2.3
121.06493	4.4
121.10144	36.1
123.08015	5.1
125.09620	4.0
127.03918	5.6
129.05472	6.9
129.07010	9.5
131.08582	28.1
133.10138	42.5
134.27396	2.3
135.08034	6.2
135.11700	28.0
137.09647	4.8
143.08565	12.6
145.04993	3.2
145.10118	19.2
147.11697	31.6
149.09694	12.9
149.13269	34.5
151.11208	2.9
157.10152	8.0
159.11708	33.5
161.09628	2.5
161.13252	20.7
163.11194	7.8
163.14827	4.6
165.09187	2.5
171.11635	12.9
173.13272	16.0
175.14865	7.6
177.12738	10.7
179.14349	6.2
184.07536	3.1
185.13260	5.7
186.86006	2.6
195.13831	10.8
197.13278	3.4
199.14920	4.8
213.16380	2.7
217.15825	2.8
229.14333	5.6
241.19505	20.3
257.19022	6.9
259.20547	48.7
261.22195	2.8
269.17493	79.8
275.20160	15.2
277.21808	5.9
281.17670	3.1
333.24255	9.0
349.23703	10.2
351.25323	78.1
435.64734	3.1
459.27386	3.6
495.29480	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	565.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05509	1.4
57.03464	0.7
67.05508	2.9
69.03445	1.1
69.07085	1.7
69.68423	0.6
69.68836	1.5
71.04996	0.9
79.05500	2.5
81.03426	1.9
81.07050	1.6
83.04994	1.1
83.08649	0.7
85.02898	1.6
86.09727	0.7
91.05496	1.7
93.07054	1.8
95.04982	1.7
95.08617	1.1
97.06538	13.5
98.06879	1.1
98.21482	0.8
98.97615	0.4
105.07045	1.4
107.08636	0.5
109.06570	0.4
109.10177	0.8
111.04436	0.8
113.19289	0.3
115.05471	0.4
119.08601	0.9
121.10165	0.9
122.99763	0.4
124.57307	0.3
125.00020	0.5
129.07034	0.6
131.08650	0.4
133.10182	0.7
139.03874	0.5
143.08562	0.4
145.06502	0.6
147.11722	0.5
157.06511	0.7
159.04472	0.6
161.02374	0.4
161.06062	1.3
163.03920	2.3
167.08591	0.9
169.10339	0.4
171.08096	1.0
173.02368	0.8
173.06023	0.5
175.07582	0.7
177.05597	0.4
181.06609	0.4
183.08162	0.4
184.07382	1.5
185.04245	1.0
185.06026	0.8
185.07735	0.5
185.09604	0.5
187.03983	1.0
187.07655	1.0
189.05490	0.5
189.09151	1.1
191.14328	0.4
195.08105	1.1
197.09662	0.4
199.04152	0.5
199.07625	1.4
200.08145	0.3
201.05605	0.7
201.09111	0.8
203.05353	0.9
211.07576	0.4
213.05550	1.5
213.09120	1.8
215.07147	1.0
217.08615	0.9
227.07056	0.7
229.05113	0.3
231.10350	0.6
234.08832	0.4
237.09000	0.4
241.08661	1.1
241.12270	0.4
245.07967	0.4
245.28627	0.3
255.10103	0.4
259.07941	1.2
259.10046	0.7
260.10181	0.6
265.12228	0.5
267.13925	1.3
269.08127	0.4
283.13336	1.1
285.14929	0.7
287.12793	0.8
293.11792	0.6
299.12921	0.8
301.14417	0.6
309.15063	1.1
311.12881	2.3
311.16220	0.6
312.13199	0.9
313.14423	1.0
317.21292	0.5
327.16046	1.6
329.13910	1.0
329.17410	1.1
331.10324	1.1
331.15540	0.8
337.14447	1.3
338.14728	0.5
345.17230	0.6
350.24133	0.6
355.15402	9.9
356.15759	4.0
359.13110	0.4
373.16479	12.0
374.16736	0.5
387.16391	1.6
400.11215	0.6
401.11407	0.8
403.20828	2.3
419.12744	0.8
420.07947	0.4
476.26401	0.4
479.26047	1.0
519.20874	0.4
521.27454	2.0
537.26886	1.3
547.21527	0.6
565.26288	100.0
566.26459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01878	7.3
55.05266	1.5
55.05514	17.4
56.96556	1.5
57.03444	6.5
60.08169	2.4
61.02914	1.2
65.03931	1.6
67.05511	20.7
69.03425	3.8
69.07069	15.0
69.33245	2.8
69.33642	9.5
71.01349	1.1
71.04986	7.8
72.05268	1.4
73.02923	1.3
75.82810	1.3
79.05071	2.2
79.05493	25.8
81.03413	3.5
81.07063	14.6
83.04992	7.5
83.08630	9.4
85.02911	11.1
86.09715	9.8
91.05482	13.3
93.07053	13.4
95.04984	9.0
95.08615	9.8
97.02894	3.4
97.06535	91.8
97.10171	19.7
98.97581	1.4
105.07025	13.0
106.94966	1.1
107.04945	3.4
107.08598	42.1
109.02853	1.6
109.06526	2.4
109.10142	8.5
111.08079	2.3
115.05436	1.5
117.07016	4.0
119.08568	8.5
121.10159	6.4
123.11716	1.3
125.00008	5.0
125.09633	19.3
127.03871	1.5
129.05437	1.3
129.06970	2.0
131.08545	6.7
133.10085	7.9
135.08041	3.7
135.11707	2.8
141.06999	1.5
143.08640	2.1
145.10106	11.6
147.11705	5.5
149.09669	5.9
153.09065	1.3
157.10126	2.9
159.11682	4.3
161.06015	2.4
161.13193	1.6
163.03922	8.9
163.11188	3.6
167.08501	1.5
169.10094	1.9
173.05994	1.9
173.11783	1.2
173.13231	1.5
175.07565	2.6
183.11703	2.0
184.07343	32.6
185.06017	2.6
185.09636	1.3
187.07568	1.7
189.09474	2.0
189.11220	13.3
191.10561	1.4
195.08025	2.6
198.06717	1.6
199.07614	4.1
201.05362	1.3
201.09125	1.6
203.07121	2.1
203.10588	1.7
211.07722	1.5
211.11276	1.5
213.05455	1.6
213.09129	5.6
215.07053	3.6
215.10712	1.6
227.10678	2.0
227.12749	19.4
229.19669	1.3
231.10271	1.6
237.09242	1.6
239.17931	3.8
241.08640	11.6
241.12181	3.4
245.13860	6.9
255.10156	2.0
255.16014	1.6
257.11676	3.0
257.19025	15.0
259.09702	16.7
265.12207	1.5
267.13751	1.9
275.20065	24.3
283.13287	2.9
285.10883	1.6
285.14789	1.8
293.11731	3.8
293.21115	1.6
299.12711	3.2
300.05692	2.4
302.04025	1.6
309.14835	4.1
311.12851	14.7
311.16174	3.1
313.03354	2.5
313.14365	5.3
314.03775	1.9
327.15939	10.4
331.22717	2.5
337.14398	13.9
349.23743	100.0
355.08463	2.7
355.15402	64.8
356.08459	3.8
367.24680	7.1
373.16486	10.7
382.46140	1.4
389.18164	2.7
393.14465	1.4
395.02689	1.1
399.10745	5.2
400.11057	10.6
417.11655	4.0
418.12247	15.5
511.28635	2.9
529.20532	2.1
545.44525	1.4
547.21631	2.9
564.25793	1.4
565.25928	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	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
53.04191	1.9
54.42974	2.0
55.01867	7.4
55.05512	19.6
57.03436	16.1
57.73452	1.8
61.02916	7.2
65.03938	2.6
67.05508	55.6
69.03436	9.1
69.06729	2.6
69.07072	30.5
69.29548	16.9
71.04990	6.5
73.02914	3.8
79.05067	3.4
79.05495	47.3
81.03435	10.0
81.06593	3.4
81.07059	64.4
82.39825	1.8
83.04984	12.2
83.08620	12.2
84.32603	1.7
85.02890	6.6
85.06533	4.6
87.04465	2.4
91.03936	4.4
91.05491	33.9
93.06479	3.9
93.07048	54.4
95.04993	9.6
95.08614	28.6
96.97382	2.0
97.02878	6.6
97.06532	28.3
97.10158	5.8
99.08130	3.0
103.03911	2.2
105.07041	27.8
107.04951	7.8
107.08604	31.1
109.02924	2.3
109.06507	5.4
109.10138	11.3
111.08061	6.7
117.07037	14.2
119.08565	17.5
121.06492	3.3
121.10155	18.0
123.08063	2.5
123.11733	2.8
125.09629	3.9
127.03918	2.9
129.07005	3.4
131.08572	17.9
133.10127	19.2
135.08043	4.2
135.11707	20.1
137.09604	3.9
143.08569	3.4
145.10118	15.8
147.11662	7.1
149.09631	14.2
149.13264	19.5
151.11171	2.1
155.08611	2.2
157.10110	5.1
159.11710	19.4
161.09662	2.3
161.13243	4.3
161.64850	1.7
163.11183	11.2
171.10199	2.2
171.11594	2.9
173.13219	4.7
177.12750	22.1
179.14304	7.8
181.12224	1.8
181.20636	1.9
184.07309	3.6
189.11147	2.6
195.13834	6.9
197.13275	2.4
201.12819	2.7
219.13921	1.9
227.12779	4.2
229.14383	4.6
229.19646	2.1
239.17970	4.5
247.20753	3.4
251.16345	3.7
255.15927	48.8
257.19012	10.4
267.15927	2.9
269.17487	100.0
275.20062	28.7
293.21005	2.2
337.14279	2.2
349.23758	72.4
355.15485	8.1
367.24765	23.4
396.41983	2.2
413.21835	2.9
511.29141	3.3
522.19232	2.2
553.12286	2.1
569.12738	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01868	7.4
55.05521	16.3
57.03448	14.4
61.02929	5.6
65.03960	1.9
67.05180	3.6
67.05509	48.7
69.03429	8.1
69.07076	24.9
69.22594	17.9
71.01344	2.0
71.04990	5.0
73.02916	3.2
74.61062	2.0
79.05072	3.5
79.05499	43.7
81.03420	11.9
81.06591	3.7
81.07057	63.3
81.07533	3.1
83.04979	12.1
83.08625	10.6
85.02904	11.1
86.09713	6.6
91.05484	33.9
93.07047	50.0
95.04981	13.4
95.08617	24.9
97.02886	6.1
97.06535	49.2
97.10173	4.5
98.20739	3.4
99.08082	5.1
103.03926	3.2
105.07029	24.2
107.04945	5.9
107.08600	30.1
109.02897	3.7
109.06522	5.2
109.10185	14.1
111.04506	3.1
111.08128	4.8
117.07018	13.3
119.08586	19.5
121.06516	4.4
121.10158	18.2
123.08134	3.3
123.11768	4.1
124.99982	4.0
125.09655	5.6
127.03923	4.1
128.85915	2.2
129.07027	4.8
131.08566	15.1
133.06467	2.5
133.10143	19.7
135.08080	3.6
135.11685	19.2
137.09613	4.0
141.07051	2.8
143.08549	4.0
145.10133	11.1
147.11719	10.2
149.09628	10.1
149.13277	13.6
151.07802	2.1
151.11159	3.3
153.20810	1.9
153.97200	1.8
157.10127	5.0
159.11719	22.4
161.05934	3.4
161.13274	5.6
163.03938	4.7
163.11203	6.2
165.12762	2.7
169.10065	2.7
171.11732	2.3
173.11885	2.1
173.13301	7.7
177.12752	27.6
179.14491	4.4
181.12259	4.2
184.07350	14.8
187.11179	2.4
189.08990	3.1
195.13728	9.4
199.07553	2.0
215.07101	4.8
215.14326	1.9
221.16174	2.3
227.12767	2.3
229.14366	6.9
237.16542	2.4
239.17937	4.8
241.08757	3.4
251.16502	4.2
255.15918	37.3
257.19046	8.1
259.09723	8.4
267.15973	3.6
269.17487	100.0
275.20041	18.1
285.14722	3.5
293.21133	2.2
309.14737	3.0
311.12827	9.6
313.14313	3.8
325.16949	2.3
327.15820	4.5
331.22861	2.4
337.14331	6.6
339.18039	2.7
349.14291	2.0
349.23737	45.7
355.15445	33.9
367.24811	25.6
373.16537	5.5
413.21719	4.1
443.27805	2.1
511.29251	2.3
565.26172	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01874	3.3
55.05514	10.2
57.03436	8.3
58.74571	1.0
61.02918	5.3
63.10199	1.2
65.03931	2.1
65.20995	1.1
67.05509	33.0
69.03425	8.1
69.07072	19.9
69.97197	5.2
71.05007	6.7
73.02924	1.6
79.05498	33.4
81.03431	5.9
81.07063	35.9
83.04984	9.1
83.08628	8.5
85.02898	8.8
85.06537	2.8
86.09716	6.0
91.03912	1.5
91.05483	20.0
93.07053	26.1
95.04975	15.3
95.08612	13.2
97.02904	2.9
97.06539	100.0
97.10162	6.2
99.08080	2.8
105.07044	17.3
105.46434	1.1
107.04970	3.6
107.08606	21.4
109.02908	1.9
109.06507	2.4
109.10162	6.6
111.04448	3.1
111.08064	2.8
117.07008	8.3
119.08595	14.6
121.06496	2.4
121.10156	9.7
121.84237	1.2
123.08109	2.9
123.11751	3.3
125.00015	3.2
125.09634	6.0
127.03928	2.8
128.06181	1.8
129.05486	2.4
129.06982	3.8
131.08588	12.0
133.06491	1.4
133.10150	15.3
135.08051	2.0
135.11723	10.9
137.09636	2.3
141.06993	2.5
142.07838	1.3
143.08563	3.1
143.96059	1.3
145.10149	11.9
147.11676	7.8
149.09636	5.8
149.13239	6.6
151.11194	2.2
153.06989	1.2
156.61078	1.2
157.10127	3.2
159.11732	11.8
161.06029	3.5
161.13226	1.6
163.03928	8.5
163.11208	5.0
167.08554	1.8
169.06468	1.8
169.10237	1.6
171.08118	1.4
171.11662	1.7
173.05998	1.5
173.09647	1.7
173.13264	4.0
175.03877	1.5
175.07619	2.2
175.11206	1.4
177.12749	4.8
179.14246	2.0
181.12305	2.0
183.11626	1.2
184.07372	21.7
185.09569	2.2
185.13272	1.6
187.07526	3.3
189.09126	4.0
189.11241	3.9
193.12268	1.8
195.08026	4.0
195.13788	3.9
199.07539	5.4
199.14787	2.4
201.09229	1.9
209.09668	1.5
211.07561	2.3
213.09126	5.7
215.07004	4.8
215.10550	2.2
217.15955	2.9
227.12732	3.7
229.08684	1.6
231.10201	2.7
235.16989	1.5
239.17953	2.8
241.08603	11.7
241.12242	5.0
245.13760	1.9
247.20731	1.8
255.15958	34.5
257.11792	1.7
257.19077	9.2
259.09628	16.8
267.13699	2.5
269.17499	35.1
271.13251	1.4
275.20053	25.5
283.13110	2.7
285.14740	2.3
293.21201	1.7
299.12888	3.7
309.14764	3.1
309.20584	5.9
311.12839	23.4
313.14404	7.5
327.15903	11.6
337.14310	7.5
349.23743	46.7
355.15390	83.6
356.15494	1.4
367.24802	16.9
373.16394	17.4
399.10431	1.6
400.10785	2.8
418.12201	1.6
419.24518	1.7
510.72852	1.4
529.20831	1.7
547.21429	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	564.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03987	0.2
55.01867	0.5
55.05510	0.4
56.05033	0.3
57.03424	0.8
58.06604	0.4
59.07389	0.4
60.07891	0.4
60.08171	5.7
67.05512	1.4
69.07085	1.5
71.05009	1.2
71.07376	2.2
71.54687	0.3
72.05344	0.3
79.05505	2.4
81.03428	0.4
81.07060	0.6
81.74110	0.3
83.04973	0.8
83.08582	0.3
85.02921	1.3
86.09712	27.6
90.82590	0.2
91.05471	0.6
93.07031	0.4
95.04977	1.0
97.06538	13.6
97.10146	0.3
98.97570	0.3
98.97815	0.3
98.98465	2.6
104.10751	3.7
105.07024	0.3
107.08625	0.3
109.10113	0.2
115.05504	0.3
125.00015	18.1
125.09638	0.3
131.08582	0.3
133.06467	0.2
135.11700	0.3
153.01808	0.3
161.05986	0.5
163.03853	1.1
165.09215	0.3
167.08565	0.4
175.03952	0.3
175.07584	0.3
183.08255	0.3
184.07355	100.0
185.09758	0.3
187.07529	0.2
189.05447	0.3
189.09116	0.6
195.08032	0.7
199.07515	0.6
203.07066	0.3
211.07637	0.5
213.05437	0.3
213.09192	1.1
226.15886	0.2
237.09012	0.2
241.08669	1.7
241.12207	0.4
255.10034	0.3
257.11777	0.3
258.11038	0.3
259.09613	2.1
267.13644	0.4
269.08032	0.3
283.13272	0.3
285.10965	0.3
285.14529	0.2
290.28851	0.3
293.11658	0.3
299.12769	0.8
309.14722	0.4
311.12930	2.6
311.16367	0.5
313.03387	0.6
313.14304	1.1
314.03653	0.7
327.15903	1.5
337.14246	1.6
349.23715	0.3
355.15405	9.2
356.08597	0.3
373.16476	1.6
399.11337	0.5
400.11090	2.0
417.11774	0.8
418.12119	1.9
500.24115	0.4
518.25134	2.5
529.20795	0.5
546.28131	1.0
547.21375	0.4
564.29706	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	562.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79033	1.2
53.03941	4.1
55.01872	3.2
55.05513	14.1
56.96572	1.5
57.03198	1.8
57.03442	15.5
65.03947	1.4
67.05507	23.8
69.03423	5.1
69.07076	6.4
69.22678	13.8
71.01353	1.4
71.04980	4.8
78.54095	1.2
79.05505	18.8
81.03423	85.9
81.07064	23.3
83.04987	11.3
83.08622	20.5
83.44009	1.3
85.02911	13.3
85.06544	1.7
85.19482	1.3
91.05487	32.4
93.07050	15.9
95.04386	1.6
95.04978	26.5
95.08588	7.3
97.02888	5.2
97.06502	3.8
97.10175	5.6
105.07037	21.6
107.04958	10.1
107.08608	6.9
109.06524	3.8
109.10160	7.3
111.04432	2.4
111.08098	9.4
115.05473	1.9
117.07040	2.8
119.04948	1.6
119.08592	19.3
121.06512	4.8
121.10147	11.5
123.08083	3.1
123.11717	2.3
125.09622	5.8
129.07010	12.6
131.08580	14.1
133.06509	4.5
133.10158	9.2
135.08034	2.6
137.09625	1.7
142.07755	1.4
145.06534	2.9
145.10124	2.8
147.08028	5.9
147.11678	11.3
149.09642	6.7
157.08878	2.0
157.10110	14.0
161.09674	1.5
163.11172	2.0
165.12767	3.1
171.08038	1.8
174.37402	1.5
175.11227	11.5
193.12260	33.1
211.13310	22.5
227.12721	1.8
249.14850	2.5
267.15942	100.0
273.14771	3.3
285.16946	22.2
291.19589	5.5
305.10876	1.6
312.18167	1.3
341.20938	1.9
349.21741	2.1
365.23215	7.2
367.22629	11.7
373.17947	1.3
385.23776	12.2
403.24539	2.3
403.29123	1.5
405.24280	1.4
433.25885	13.2
441.26233	5.8
459.27448	57.6
477.28506	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
53.69410	0.7
55.01880	3.7
55.02186	0.6
55.05279	1.0
55.05516	14.0
57.03444	5.3
59.05013	0.8
61.02911	2.3
65.03939	0.8
67.05510	15.6
69.03430	6.1
69.07073	21.8
69.59544	0.6
71.04977	2.3
71.25812	1.0
76.54324	0.6
79.05495	15.1
81.03423	7.7
81.07060	14.3
83.04541	0.6
83.04990	4.3
83.08624	6.8
85.02917	3.0
85.06543	0.9
91.03929	1.1
91.05492	10.3
93.07052	10.4
95.04960	7.2
95.08625	7.4
97.02905	5.9
97.06548	3.6
97.10180	10.9
103.05450	0.8
104.10755	0.6
104.28207	0.6
105.07033	8.4
107.04972	6.0
107.08592	8.6
109.02883	1.1
109.06537	2.7
109.10164	7.5
111.04433	1.2
111.08096	1.9
113.05975	0.7
115.05513	1.0
117.07020	3.8
119.04932	1.2
119.08584	9.7
121.06521	2.1
121.10172	3.2
123.08070	3.8
123.11667	0.7
125.09632	6.8
127.03861	1.0
127.07530	1.6
129.05510	0.8
129.07016	2.4
131.08594	6.7
133.06490	1.8
133.10117	4.5
134.07272	1.1
135.08092	3.1
135.11728	1.7
137.09575	1.6
143.08545	2.5
145.06522	0.7
145.10118	4.4
147.08072	4.7
147.11667	3.0
149.09610	1.1
149.13216	1.0
153.09177	0.9
157.10110	2.7
159.08012	0.8
159.11711	2.0
161.09596	2.4
163.11201	1.8
165.09181	1.5
169.12315	0.8
171.10229	1.3
171.11694	1.3
175.11191	1.8
177.12799	1.4
184.07393	1.7
189.11273	3.2
193.12241	4.0
195.13843	1.6
199.16412	0.8
205.12291	1.2
211.13252	2.0
223.13286	11.9
227.12770	4.0
229.14297	0.8
233.15349	1.3
245.18935	0.9
249.14862	2.3
255.17368	1.5
263.20029	1.2
267.15900	2.5
273.18491	12.1
283.15439	0.8
285.16974	8.7
291.19556	72.6
307.19153	0.9
344.55341	0.6
347.22241	5.9
365.23248	100.0
429.21347	1.0
509.27109	1.0
527.28491	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	562.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75391	1.2
52.60592	1.1
53.03948	1.7
55.01869	7.8
55.05512	11.6
57.03440	7.0
59.05004	1.2
61.02925	3.3
64.97051	1.1
65.03943	1.6
67.05509	35.1
69.03429	4.6
69.07072	10.9
69.78020	4.4
71.04992	4.5
73.02907	2.6
79.05497	18.5
80.05797	1.0
81.03428	15.1
81.07063	38.8
83.04985	11.2
83.08610	5.6
85.02912	6.9
85.06534	3.4
91.03963	2.5
91.05489	31.2
93.07054	22.7
95.04980	9.4
95.08618	12.2
97.02895	4.7
97.06529	5.2
97.10185	2.6
99.04475	2.0
105.04572	1.2
105.07041	27.6
107.04948	5.1
107.08604	25.7
109.02855	1.8
109.06522	6.4
109.10163	38.6
111.04451	1.6
111.08111	3.9
113.06022	2.0
117.07022	3.3
119.08596	8.4
121.06510	4.3
121.10169	6.4
123.08078	2.4
123.11732	5.9
125.09653	3.1
127.03952	1.7
127.07568	2.9
129.05562	1.3
129.07005	4.1
131.08598	7.7
133.06506	4.5
133.10141	49.8
135.08070	5.5
135.11671	3.6
137.09639	1.6
143.08571	3.4
145.10135	3.5
147.08078	3.3
147.11674	2.5
149.09645	6.5
151.11206	21.1
157.10197	3.6
158.13985	1.3
159.08051	2.1
159.11688	2.5
161.09637	4.5
161.13251	1.4
163.11238	2.3
165.12781	1.3
169.12267	4.4
171.11752	2.0
175.11185	3.1
177.09212	1.9
187.11194	1.1
193.12282	4.8
194.02074	1.1
211.13277	1.6
215.12752	3.2
227.18001	1.5
229.14406	3.0
243.21275	1.1
245.19096	2.8
251.12872	1.4
253.14369	89.7
255.17453	1.8
263.20111	2.9
267.15970	6.7
267.47855	1.3
269.13864	2.7
271.15384	11.7
273.18506	10.9
285.17123	3.7
291.19604	13.6
318.75906	1.2
347.22214	6.9
365.23254	100.0
383.24414	3.0
392.53046	1.2
459.27335	4.4
477.28464	9.8
527.28894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
55.05517	7.4
55.91394	0.7
57.03423	3.2
57.07073	4.7
67.05184	0.8
67.05513	11.7
69.07069	9.3
71.05016	1.4
71.08639	0.9
71.34718	1.3
72.85594	0.7
78.38509	0.7
79.05501	6.8
81.03415	1.4
81.07063	13.6
83.04980	3.2
83.08623	3.5
85.02892	0.9
85.06535	3.3
90.04054	0.7
91.05480	3.9
93.07050	9.6
95.04967	1.6
95.08617	11.6
97.06553	4.0
97.10197	1.0
99.08091	0.9
105.07024	3.3
107.04945	1.1
107.08604	8.8
109.06526	5.8
109.10153	4.9
110.25207	0.8
110.34910	0.7
111.04457	4.1
111.08083	1.6
119.08533	3.9
121.06549	1.1
121.10153	3.3
123.08074	5.3
123.11684	1.9
125.06017	1.6
129.06998	0.8
131.08562	1.9
133.10135	2.6
135.08064	7.1
135.11713	5.7
137.05991	7.3
137.09711	1.0
137.13210	0.8
145.10184	1.9
147.11700	2.6
149.09679	1.2
149.13274	1.4
151.07536	3.3
151.11206	1.4
152.08383	0.8
153.12740	1.6
157.10136	1.1
161.09557	1.1
161.13290	1.5
163.11172	1.9
165.09135	4.5
165.12717	2.6
167.14369	1.2
171.11803	1.1
175.11172	1.1
175.14944	0.9
177.12845	1.5
179.14365	2.7
181.12277	3.2
191.14307	1.0
193.12277	2.8
194.85867	0.7
205.15927	1.0
208.16988	5.1
221.18968	2.1
235.20584	1.4
248.72617	0.8
257.17438	3.2
263.20038	2.4
303.26907	1.3
305.24759	23.0
319.26334	10.3
329.24936	1.4
347.25833	53.4
348.26273	0.8
365.26913	17.7
390.29996	2.3
393.29993	2.5
403.28632	1.3
421.29504	100.0
439.30554	8.7
501.26114	2.9
519.27246	6.8
544.30048	1.0
562.31445	12.9
562.39337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01842	1.7
55.05513	3.8
56.96544	0.5
57.03402	2.0
57.07079	9.7
57.72221	0.4
67.05510	5.1
69.03389	0.6
69.07072	4.0
70.54559	1.7
71.04974	0.9
79.05499	3.1
81.03389	1.1
81.07059	7.7
83.04974	3.2
83.08582	1.9
85.06545	5.3
89.83392	0.5
91.05479	2.2
93.07047	4.7
95.04961	1.0
95.08592	5.8
97.06480	2.0
97.10146	0.4
105.07013	2.2
107.08608	4.6
109.06519	5.1
109.10147	3.0
111.04438	1.2
111.08067	0.8
117.07032	0.6
119.08605	3.5
121.06494	0.7
121.10143	2.7
123.08089	5.0
123.11637	1.5
124.08819	0.7
125.05993	0.9
126.64066	0.5
131.08543	1.1
133.06447	0.5
133.10068	1.8
135.07301	0.5
135.08063	4.8
135.11647	1.7
136.93100	0.6
137.05983	7.6
137.09587	1.0
139.07529	0.6
145.10097	2.0
147.08054	0.5
147.11685	2.1
149.09573	1.6
149.13203	1.1
151.07565	3.4
151.11127	1.6
152.08308	3.8
153.12799	0.6
157.10129	0.7
159.11629	1.3
161.09604	0.9
161.13258	0.6
163.11151	1.1
165.09145	4.9
165.12738	4.0
166.09833	0.5
173.13187	0.9
175.11099	0.6
177.09166	0.9
177.12779	2.7
179.10738	0.9
179.14256	1.5
181.12238	0.6
184.07225	0.6
187.14735	0.5
191.14284	0.8
193.12244	1.8
194.12994	3.1
195.13805	0.6
207.13834	4.5
232.46165	0.4
233.19020	0.8
235.17043	1.1
238.89363	0.4
245.19243	0.5
249.18466	0.7
263.20087	3.0
277.17923	0.5
291.19720	0.7
305.10724	0.5
319.26263	5.4
322.23782	1.3
328.04376	0.5
329.24713	0.9
334.17804	0.6
335.25757	0.8
337.27408	1.3
347.25815	56.6
365.23126	1.5
365.26892	29.1
378.26361	1.4
390.29971	1.5
393.29993	1.8
403.28546	1.2
421.29504	100.0
422.29486	0.9
434.32928	0.6
439.30554	23.7
459.27432	0.5
476.24194	2.1
477.28482	1.0
501.26129	5.1
519.27209	11.0
519.34930	0.6
544.29706	0.6
562.31409	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01872	0.9
55.05508	0.5
56.96574	0.4
57.03441	0.8
57.38685	0.3
61.02930	0.9
67.05533	0.4
68.99789	0.8
69.03438	4.4
69.94298	1.3
69.94665	0.6
70.06596	1.2
71.05009	0.5
72.08169	0.8
73.02925	0.8
78.22231	0.3
79.05489	0.6
81.03425	4.8
81.07060	0.6
83.50607	0.3
85.02911	6.3
85.03386	0.5
86.09699	0.7
87.00831	2.1
89.03922	5.2
91.05478	2.9
93.07042	2.4
95.04984	0.7
97.02895	2.5
98.20815	0.4
98.97586	0.8
99.04462	1.4
103.03968	0.7
103.05476	2.3
105.01875	1.0
105.04533	0.4
105.07053	0.9
109.02890	2.9
117.03391	17.7
119.04947	0.4
120.08102	0.6
121.06511	26.6
127.03950	4.4
129.01859	0.6
131.00185	0.7
134.03673	1.0
135.04387	0.7
137.05983	1.6
138.09143	2.0
145.02856	49.8
147.04370	0.5
149.05995	5.2
151.07578	0.5
153.01834	0.8
159.02925	0.9
163.03949	0.8
163.13336	0.7
164.13626	0.3
177.05479	100.0
178.05804	0.6
186.05495	0.9
219.01639	0.4
231.05013	0.5
261.08533	0.3
267.09064	0.6
275.04398	0.4
285.10263	0.8
287.05704	0.5
311.12784	0.4
314.13873	40.2
355.08032	0.9
356.08353	1.6
386.14471	19.9
398.09427	1.1
400.11148	2.1
485.16617	0.7
562.17938	1.8
562.32684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01875	8.8
55.05516	38.4
57.03442	9.1
57.07065	6.1
65.03945	5.8
67.05183	4.4
67.05515	69.2
69.03439	4.9
69.07081	17.7
71.04983	7.6
71.54974	3.7
74.09174	2.7
78.49496	2.4
79.05070	3.8
79.05502	47.8
79.90452	2.6
81.03423	12.7
81.06591	4.4
81.07059	62.8
83.04974	18.0
83.08627	24.7
85.02950	4.1
85.06551	6.4
91.05489	41.7
93.07053	54.9
95.04969	16.2
95.08614	36.1
97.06540	7.4
97.10159	22.2
97.66045	2.7
105.07050	30.1
107.04964	8.5
107.08606	39.0
109.06519	9.7
109.10185	19.8
111.04469	8.0
111.08076	6.2
117.07018	20.7
119.08581	32.4
121.06509	6.2
121.10148	22.3
123.08088	4.7
123.11723	8.3
125.09659	17.3
128.06253	2.9
129.07033	7.4
131.08575	27.5
133.06407	3.2
133.10156	23.7
135.08073	7.7
135.11696	20.2
137.09685	2.9
143.08565	10.3
145.10124	25.7
147.08058	3.3
147.11723	15.7
147.67603	2.9
149.09596	5.7
149.13228	6.8
151.11194	5.3
153.12811	4.9
155.08563	5.1
157.10135	11.7
157.11340	2.6
159.11668	16.7
161.13261	5.9
163.11223	14.7
163.14906	2.8
169.10129	5.2
171.10320	3.3
171.11699	10.0
173.09781	5.2
173.13297	10.1
175.11255	3.3
177.12704	3.0
179.10422	2.6
181.12300	5.4
183.11627	5.6
185.13223	6.3
187.14793	5.5
189.11197	10.3
191.10683	5.4
193.12349	3.7
197.13292	3.9
201.16409	4.9
209.11681	5.0
211.13188	3.9
227.12808	37.5
245.13820	2.8
259.20694	7.1
261.22214	8.4
267.15915	3.3
277.21805	5.1
283.15332	14.3
299.23648	9.0
301.21597	3.3
317.24771	7.3
333.63095	3.0
335.25821	12.5
346.42398	3.2
433.31009	6.8
451.32202	11.3
469.32962	11.5
487.34238	9.5
511.37604	2.8
515.37866	6.3
525.35645	18.3
543.36884	100.0
561.38190	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57998	1.9
51.79411	2.2
53.03951	3.9
55.01862	5.9
55.05512	43.9
57.03434	5.6
57.07062	4.5
67.05505	67.7
69.03423	4.8
69.07063	17.6
69.19436	8.4
69.19858	15.9
71.05005	5.5
79.05064	4.3
79.05497	47.1
81.03410	11.7
81.07059	69.1
81.07533	4.3
83.04986	11.3
83.08620	21.2
85.02882	3.1
85.06525	5.4
85.11535	2.7
91.05482	39.9
93.07047	46.8
95.04987	12.8
95.08611	40.5
95.09175	2.9
97.02935	2.9
97.06506	5.3
97.10167	28.6
105.07029	36.7
106.53972	2.8
107.04932	4.1
107.08591	35.6
109.06499	6.4
109.10172	23.1
111.04471	12.4
111.08073	6.9
115.05466	3.2
117.07048	14.6
119.08574	33.3
121.06537	3.3
121.10140	21.2
123.08054	5.8
123.11729	8.8
125.09636	22.7
129.07057	12.3
131.08582	30.7
133.10126	20.1
133.86449	2.3
135.08046	2.8
135.11693	18.4
137.13263	3.2
143.08583	9.8
145.10132	28.6
147.08090	3.4
147.11658	18.4
149.09633	3.5
149.13289	8.6
153.12781	7.1
155.08539	4.1
157.10153	10.8
159.11699	15.7
161.09673	2.5
161.13264	10.5
163.11227	12.9
169.10165	5.3
171.10414	2.6
171.11702	9.4
173.09616	3.8
173.13246	12.5
175.14960	2.9
180.33098	3.0
181.10149	3.3
181.12236	6.3
183.11647	2.9
185.13251	8.2
187.11145	2.3
187.14850	5.4
189.11211	13.6
189.12793	3.9
191.10635	3.7
193.12212	2.7
195.11754	3.1
197.13370	5.0
207.11751	3.0
209.11601	3.2
211.14911	3.7
227.12741	25.4
243.20976	2.6
259.20517	4.5
261.22208	12.4
267.15973	3.9
277.21588	3.0
283.15378	16.2
283.20407	2.6
293.20923	3.9
299.23669	15.6
300.80673	3.2
301.21686	6.0
315.23132	3.0
317.24835	10.5
333.24277	6.3
335.25766	12.5
339.23047	2.7
433.31140	7.1
451.32104	14.2
469.33011	11.5
487.34189	6.7
492.95047	2.9
515.37341	3.2
516.31403	2.4
525.35773	23.8
543.36865	100.0
561.38623	80.9
562.15063	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01974	1.6
53.03954	5.6
55.01870	8.0
55.05515	39.9
57.03445	6.0
57.07078	3.2
60.81940	1.9
65.03924	3.5
67.05508	76.6
69.03439	4.3
69.07069	21.2
70.58206	4.6
71.01343	2.0
71.05004	5.2
73.39745	1.6
74.94580	2.0
79.05502	46.6
81.03412	9.7
81.07060	62.7
83.04982	11.9
83.08624	21.2
85.02927	4.3
85.06537	3.3
91.05484	41.8
91.60162	1.7
93.07047	53.4
95.04984	12.2
95.08614	43.1
97.06529	7.7
97.10173	26.9
105.07053	33.2
107.04953	8.1
107.08602	35.4
109.06537	5.1
109.10168	22.5
111.04458	8.5
111.08096	6.9
115.05431	2.7
117.07026	22.0
119.08588	25.5
121.06481	3.9
121.10143	21.3
123.08064	4.6
123.11725	8.0
125.09621	19.7
128.06218	2.3
129.07004	10.1
131.08586	25.2
133.06537	2.3
133.10133	23.8
135.08072	5.1
135.11690	20.7
137.09615	3.6
137.13187	2.4
141.07031	3.0
143.08572	10.6
145.06532	2.1
145.10117	27.7
147.08034	3.5
147.11710	14.9
149.09563	4.6
149.13237	9.0
153.12759	6.6
155.08543	5.3
157.10179	9.6
159.11711	16.9
161.13292	7.9
163.11201	14.4
165.12700	2.3
169.10124	2.9
171.11719	7.0
172.95242	2.6
173.09650	4.6
173.13307	10.4
175.11139	3.0
175.14830	4.1
177.12755	2.2
177.16498	1.9
181.10080	2.4
181.12292	5.7
183.11725	5.9
185.13295	8.8
187.14853	5.1
189.11227	8.5
189.12737	3.6
190.96298	3.3
191.10678	3.1
193.12213	2.4
195.11711	3.6
197.13298	5.4
199.14854	4.8
201.16504	2.5
209.11694	4.2
209.13454	3.0
211.13286	2.1
223.14929	2.2
227.12802	29.4
241.19566	3.9
245.13771	4.5
259.20679	6.4
261.22235	10.4
267.15829	3.3
277.21564	3.8
283.15347	12.9
283.20410	2.2
297.22336	2.5
299.23694	16.7
301.21658	5.9
315.23026	2.7
317.24915	10.4
333.24234	6.0
335.25943	17.1
357.24121	2.2
423.32843	2.3
433.30978	8.3
451.32306	11.1
469.33572	11.1
487.34460	10.4
507.34717	2.4
515.37390	4.2
521.22095	2.4
525.28320	2.7
525.35730	21.4
543.36877	100.0
561.37921	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01872	12.8
55.05518	45.8
56.96567	3.3
57.03437	30.5
57.07080	3.1
59.05022	4.4
61.02925	31.6
65.03963	3.1
67.05508	100.0
69.03436	29.8
69.07076	17.8
69.54800	20.2
71.04987	12.8
72.75401	2.9
73.02924	24.0
78.66942	2.6
79.05497	39.9
81.03419	55.5
81.07056	40.1
83.04978	18.5
83.08604	16.0
85.02911	50.4
85.06537	4.8
86.09694	3.2
87.04482	8.4
91.03954	17.0
91.05488	22.1
93.07042	28.5
94.07357	4.8
95.04964	8.9
95.08625	17.6
97.02902	57.1
97.06516	8.5
97.10191	23.9
99.04456	15.7
101.02376	9.2
103.03931	10.2
105.07042	13.0
107.04984	6.0
107.08594	21.8
109.02891	12.4
109.06487	4.8
109.10168	89.3
111.04450	7.6
111.08092	9.0
115.03944	4.1
117.07010	7.9
119.08582	14.5
121.06531	3.7
121.10163	9.3
123.04449	3.0
125.09628	33.4
127.03912	24.8
129.05478	11.5
129.07039	3.8
131.08546	7.1
133.10121	6.0
135.11681	9.6
137.09665	4.6
143.10666	4.7
145.04979	4.2
145.10118	10.4
147.11655	5.8
149.09636	3.2
153.12729	5.9
155.10693	16.8
159.11673	3.5
163.11172	13.3
171.11687	2.6
173.04471	20.7
173.09621	3.8
173.10127	3.4
173.11749	46.4
181.12230	3.9
183.06512	4.2
184.07309	10.8
189.11235	3.6
191.10588	5.3
199.13269	7.5
201.07657	3.3
209.11720	12.6
227.12788	10.5
229.14363	68.1
245.13763	2.9
257.13919	7.6
277.21597	5.3
278.21988	9.2
283.15579	9.5
301.16599	13.7
311.12875	4.7
391.19351	4.9
399.23779	16.3
441.11905	3.0
543.36493	6.9
561.29102	13.4
561.37146	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	560.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.2
67.05519	48.5
69.07076	11.9
71.01416	8.4
71.54469	15.8
79.05489	22.9
81.07052	38.1
91.05493	22.8
93.07051	29.6
95.08601	35.4
99.59308	8.9
107.08597	22.6
109.10149	27.3
119.08584	15.0
121.10168	18.6
123.11717	14.0
131.08586	15.0
133.10155	11.4
135.11688	16.9
137.13260	8.9
145.10115	17.9
147.11739	12.0
149.13223	17.7
152.91554	7.7
153.33629	8.0
159.11664	16.8
161.13300	11.0
163.14905	15.6
165.59763	7.8
173.13228	16.6
184.07387	11.6
191.18365	8.8
243.21060	47.4
261.22220	100.0
293.35394	9.0
335.25787	27.1
353.26846	41.5
408.57297	8.9
505.20438	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	561.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
54.11541	1.1
55.01638	1.4
55.01880	18.8
55.05513	19.7
57.03440	14.5
57.07072	2.2
61.02923	5.3
65.03934	3.4
67.05510	78.3
69.03434	52.3
69.07068	13.1
70.04186	1.4
70.81286	2.5
70.81640	3.3
71.01345	1.6
71.04986	8.8
73.02515	2.5
73.02925	47.8
75.04490	2.3
77.03910	1.8
79.05498	46.0
79.42380	1.2
81.03421	33.7
81.07062	78.1
83.04993	14.5
83.08633	10.4
85.02911	35.6
85.06544	2.7
91.04913	2.2
91.05479	27.0
93.03400	1.6
93.07051	55.0
95.04991	4.0
95.08614	63.3
97.02899	15.3
97.06547	6.9
97.07106	1.3
97.10191	3.6
99.04467	20.8
99.08105	1.9
103.03876	1.7
105.04533	2.2
105.07038	18.9
106.98007	2.1
107.08599	28.4
109.02885	57.9
109.06520	3.2
109.09591	0.8
109.10163	36.6
110.03691	10.3
111.04451	57.0
111.08101	3.1
114.76960	1.4
115.18039	1.4
117.07013	8.1
119.08595	19.5
121.10152	28.4
123.08099	3.2
123.11719	14.9
125.09663	1.4
127.03923	33.1
129.07034	2.8
131.08577	15.9
132.99557	27.0
133.10141	15.5
135.01180	2.0
135.11707	21.6
137.09630	2.0
137.13295	4.8
139.11143	2.2
143.08598	2.4
145.10129	12.9
147.11722	11.2
149.09636	1.5
149.13266	14.1
151.00624	7.0
151.11171	2.4
151.14804	1.7
155.00029	1.5
157.10173	2.6
159.11693	12.2
161.13234	10.1
162.07440	1.4
163.11119	2.7
163.14819	4.3
165.12810	2.0
172.99068	5.8
173.13268	9.9
175.14839	3.8
177.12708	2.4
179.14349	3.2
187.14862	5.0
191.00101	26.7
191.14337	1.9
201.16327	3.3
204.14041	1.5
209.01193	9.0
243.21100	12.2
259.20517	1.8
261.22134	36.3
261.24872	2.1
265.03958	2.0
279.23160	1.6
291.23364	1.6
317.24774	4.7
335.25845	33.2
474.41403	1.4
495.25272	1.3
543.36749	6.2
561.27332	100.0
561.36652	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	560.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01869	3.1
55.05513	12.1
57.03426	7.2
57.07067	5.1
59.04988	1.7
61.02949	1.7
67.05241	1.5
67.05512	18.3
69.03435	19.3
69.07078	8.3
70.06583	2.2
71.04991	4.5
73.02913	3.6
74.99291	1.4
79.05486	10.0
81.03423	10.8
81.07057	15.9
83.04977	7.1
83.08648	7.3
85.02908	25.8
85.06551	81.8
86.09708	2.8
87.00827	9.2
91.05492	9.9
93.07063	13.7
95.04985	12.8
95.08619	14.9
97.02899	9.2
97.06525	6.1
97.10178	9.0
97.41444	1.5
98.20755	4.3
99.04461	5.9
99.08102	66.5
105.01901	8.0
105.07044	13.7
107.08586	13.3
109.02885	9.4
109.06505	8.1
109.10159	8.0
110.66221	1.7
111.08104	1.9
113.09658	3.9
117.07015	7.6
118.00078	1.5
118.48095	1.9
119.08586	22.4
121.06512	6.2
121.10146	15.5
123.08068	8.2
123.11720	3.8
125.05957	2.3
125.09647	13.2
127.03939	17.5
129.07013	2.4
131.08572	7.7
133.06546	2.2
133.10159	10.7
135.08080	3.3
135.11674	3.8
137.09608	5.9
139.11180	4.4
141.07069	1.6
142.07780	2.0
143.08553	4.4
145.04984	5.8
145.06500	7.2
145.10164	11.0
147.08072	3.4
147.11688	11.4
149.09595	2.7
149.13255	2.5
151.07549	11.5
151.11163	3.6
155.10728	2.0
156.36824	1.9
157.10167	4.3
159.02928	4.5
159.11703	6.0
161.09583	4.1
161.13268	5.1
163.03981	2.6
163.11166	8.8
165.05501	1.7
165.09171	1.8
165.12804	4.0
171.11700	4.0
173.13213	5.8
175.11217	2.7
175.14854	6.0
177.12781	2.6
179.14331	5.5
181.08620	1.9
181.12271	28.4
181.96597	1.5
184.07460	1.7
185.13280	4.4
189.11223	5.4
189.12791	5.4
191.14346	2.6
197.13361	1.7
199.14851	3.0
201.16394	5.9
203.14325	4.9
205.15790	1.9
207.13791	7.6
215.14221	4.0
221.15395	6.6
223.22762	1.6
227.12769	7.3
229.07338	1.9
231.05017	2.2
241.19655	1.9
245.13893	3.0
259.20575	32.8
271.16968	9.1
277.21643	100.0
289.18015	2.3
295.22693	11.6
302.04056	3.9
303.04904	2.5
345.20642	28.1
349.23627	2.3
363.21716	6.2
389.17914	3.8
399.10867	11.9
473.07553	1.7
481.28006	1.8
489.24500	2.4
507.25864	5.6
525.26898	35.5
543.19873	2.7
543.28052	45.8
560.27258	2.3
560.36548	2.6
575.53229	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01881	5.8
55.02082	0.9
55.05276	2.0
55.05515	27.9
57.03431	4.3
57.07063	3.1
59.05000	1.8
61.02914	3.3
65.03951	1.5
67.05180	1.7
67.05509	22.8
69.03432	9.8
69.06763	1.0
69.07076	9.1
69.23890	10.4
69.24297	2.1
71.04967	1.9
73.02885	1.8
79.05076	1.4
79.05504	20.1
81.03419	7.4
81.07060	19.9
83.04976	4.5
83.08622	15.2
85.02914	12.4
85.06547	20.2
87.00813	4.0
91.05486	28.4
93.07047	14.6
95.04959	2.0
95.08617	11.4
97.02899	6.2
97.06535	2.6
97.10176	39.0
98.21473	2.3
99.04455	1.4
99.08109	16.4
101.12330	1.0
102.06225	1.1
105.01847	2.8
105.07024	8.2
107.04949	3.3
107.08597	21.2
109.02876	3.9
109.06485	4.4
109.10162	9.5
111.08069	1.9
113.09580	1.3
115.05444	2.4
117.07021	16.0
119.08591	60.9
121.06519	5.3
121.10186	7.1
123.08096	3.2
123.11684	2.6
124.60884	1.2
125.05943	1.2
125.09636	34.8
127.03912	6.8
128.06215	1.8
129.06955	2.4
130.07860	1.3
131.08534	6.2
133.06506	1.2
133.10141	6.7
134.44492	1.1
135.08038	9.5
135.11679	2.9
138.43575	0.9
139.11249	1.6
141.07007	1.3
143.08536	4.7
143.10649	2.4
145.04938	2.4
145.06485	16.1
145.10156	5.4
147.08002	3.3
147.11685	5.5
149.09589	1.2
149.13309	1.5
151.07513	3.3
151.11182	1.8
153.09087	3.8
155.08521	2.7
157.10068	2.8
159.02890	1.3
159.08075	7.2
159.11685	3.1
161.09663	3.0
161.13245	1.4
163.07539	2.0
163.11151	2.7
169.10127	1.8
171.10222	2.1
171.11678	2.5
173.09628	2.5
173.13298	2.7
175.07401	1.2
175.11226	1.3
175.14827	3.0
177.12801	1.5
181.12210	7.7
185.13322	2.3
189.11221	25.4
189.12729	1.5
195.13879	1.6
201.16327	2.0
203.14314	1.4
207.13745	1.6
221.15388	2.2
225.16460	1.7
227.12775	23.8
231.05081	1.2
241.19531	2.2
243.17426	3.1
245.13907	8.0
253.15919	1.9
259.20602	7.1
271.16946	24.2
273.04080	1.9
277.21631	22.6
289.17987	10.3
295.22574	4.8
302.04108	3.1
345.20636	34.2
363.21667	100.0
364.22134	1.4
389.18253	1.3
399.10767	7.2
428.26050	1.2
525.26825	8.0
543.28174	13.6
560.36566	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	560.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95524	2.3
53.03950	2.7
55.01875	3.4
55.05510	5.7
57.07074	8.1
61.02911	3.1
67.05512	20.8
68.99772	2.3
69.03439	15.2
69.07058	9.6
70.06584	5.4
71.05002	4.4
71.54160	3.9
73.02924	3.4
78.62552	2.7
79.05498	6.8
81.03419	14.8
81.07070	14.7
81.20502	2.2
83.04973	5.8
83.08660	3.4
85.02916	26.5
85.06551	82.3
86.09723	2.9
87.00831	7.1
91.03939	2.8
91.05489	7.0
93.07047	9.5
95.04955	6.3
95.08592	13.7
97.02889	12.6
97.06551	7.7
97.35540	2.4
99.04453	7.4
99.08102	71.8
101.49660	2.5
105.01894	3.4
105.07022	15.6
107.08599	7.7
108.08894	2.4
109.02877	13.1
109.06519	5.2
109.10162	6.3
111.08089	4.0
115.03984	2.4
116.10741	3.9
119.08595	13.1
121.06492	2.6
121.10173	15.9
123.08084	5.7
123.11725	5.8
125.05937	2.6
125.09620	5.0
127.03924	15.8
131.08510	4.5
133.10143	14.0
135.11681	4.7
137.09636	4.1
145.04973	4.8
145.10139	14.3
147.11713	16.5
151.07549	37.2
157.10097	6.2
159.02936	5.5
159.11670	4.8
161.13260	4.2
163.03964	3.7
165.12798	6.8
171.11678	5.1
173.13184	2.9
175.14857	6.4
179.14354	5.2
185.13217	6.0
195.55731	2.1
199.14850	6.7
201.16386	11.1
203.14328	4.8
214.18156	6.2
241.19498	8.2
253.37546	2.5
259.09778	2.6
259.20578	100.0
266.91730	2.4
277.21747	12.6
293.21243	2.7
295.22824	2.9
301.03467	3.6
313.03418	7.7
355.08246	5.9
399.10812	32.7
516.28662	5.7
525.19586	3.3
525.27051	52.6
528.32050	2.6
543.27777	2.2
560.27405	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	560.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97842	0.5
53.03954	1.0
55.01871	0.7
56.05017	1.2
57.03424	1.8
61.02916	1.3
62.63168	0.6
65.40754	0.7
67.05499	1.7
68.94656	0.5
69.03098	0.5
69.03433	4.3
69.07061	1.1
69.24471	2.2
69.24897	3.2
70.06593	5.7
72.08144	2.3
73.02906	1.5
74.06071	1.3
74.68609	0.7
79.05476	0.6
81.03419	1.5
84.04476	1.1
84.08121	2.1
85.02905	7.6
85.06561	1.1
86.06072	1.0
86.09715	10.2
87.04472	1.0
93.07025	1.0
97.02879	2.9
98.20781	1.0
99.04467	0.9
105.07033	1.1
109.02876	0.8
110.07158	0.6
116.07125	0.7
121.06506	1.9
122.48652	0.6
127.03942	1.7
134.04642	5.7
145.04996	1.0
145.09706	1.5
152.05704	1.5
152.06908	0.6
162.07646	0.7
163.13347	0.7
165.02332	5.6
173.09201	1.5
175.09883	0.9
181.05490	0.9
182.04974	100.0
184.07433	0.7
190.03085	1.2
192.06499	1.2
194.04996	3.4
200.09348	1.5
205.05437	4.0
216.04672	2.3
219.07034	1.5
221.08647	1.1
224.06093	1.5
231.07022	12.5
248.09669	28.2
266.10727	57.4
275.16028	2.1
283.45291	0.6
286.17599	2.0
287.05569	1.0
312.12238	1.3
314.09201	1.1
361.02359	1.1
398.14868	8.8
428.16025	47.5
560.20190	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.3
53.17976	1.4
55.01865	6.3
55.05512	19.5
56.96544	3.6
57.03427	5.1
57.07081	15.2
59.04986	1.9
61.02909	3.2
63.00546	1.4
67.05508	32.6
68.99786	3.2
69.03089	2.7
69.03432	39.4
69.07073	51.3
69.73113	2.5
69.73529	7.1
71.01361	1.4
71.04980	6.9
71.08629	5.2
72.08174	1.6
73.02899	4.9
77.21553	1.4
79.05486	18.9
81.03422	33.6
81.07059	94.0
83.04974	4.0
83.08163	1.7
83.08626	27.2
85.02380	1.9
85.02908	55.2
85.06543	16.2
87.00832	23.8
91.05479	11.3
93.07044	20.5
95.04987	8.6
95.08612	100.0
97.02887	18.3
97.06541	10.7
97.10174	20.7
98.97547	2.1
99.04467	12.4
99.08099	8.8
105.01872	17.2
105.07040	13.1
107.04942	3.5
107.08598	24.9
109.02888	25.9
109.06519	5.0
109.10162	60.9
111.04433	3.7
111.08072	6.3
111.11726	18.4
113.09661	2.7
115.03907	2.3
116.98632	1.7
117.01875	1.6
117.07023	2.7
119.08580	10.6
121.06502	2.4
121.10149	13.9
123.08049	2.6
123.11704	26.5
125.09635	3.7
125.13258	6.3
126.95739	1.8
127.02981	2.9
127.03926	51.3
127.11179	3.8
129.01837	2.6
129.07007	1.8
129.12782	1.6
131.08575	4.7
133.10115	4.3
135.08049	3.8
135.11676	13.1
137.09637	2.9
137.13278	13.7
140.27023	1.7
143.08574	3.3
143.14333	2.9
145.04976	12.9
145.10121	7.5
147.04434	1.8
147.08034	2.6
147.11670	6.7
149.09598	2.0
149.13275	18.1
151.14836	21.8
153.12759	5.4
155.14334	1.5
157.10121	3.2
159.02876	5.0
159.08047	2.6
159.11711	4.0
161.09569	3.6
161.13271	3.4
163.11200	3.6
163.14848	11.2
165.09096	2.8
165.16389	6.0
167.14342	2.6
169.10202	2.1
169.15915	2.8
171.11693	2.4
173.09595	2.2
173.13252	3.7
175.11157	2.3
177.16350	4.7
179.17958	5.3
185.13295	1.9
187.06041	1.6
187.11212	1.7
189.03876	2.2
189.11270	2.5
191.17879	3.0
193.19484	2.3
197.13208	1.7
205.19585	1.7
213.04036	2.6
219.21080	4.4
223.20613	2.2
227.12682	1.9
231.05002	10.2
237.02745	1.7
237.22055	2.5
241.15851	1.9
242.70677	1.5
249.25681	2.2
255.20851	1.9
267.08887	1.6
267.26981	2.7
275.19998	3.4
275.27423	7.5
276.20306	2.9
281.28381	2.0
291.27023	2.0
293.21146	2.8
293.28427	23.3
305.28387	2.3
311.29422	29.4
343.53592	1.8
363.21448	2.6
383.11212	2.5
383.29306	5.8
388.31927	1.8
401.30423	6.7
402.11926	1.6
419.31647	2.0
461.28192	2.3
487.30350	3.3
499.29202	2.3
505.31519	4.7
523.32239	1.8
541.34821	2.7
559.28088	3.0
559.36157	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	559.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96507	6.8
60.66899	0.4
67.05473	0.9
69.03380	1.4
69.07026	0.6
70.06547	0.9
71.04941	0.9
71.53989	0.6
79.05440	0.8
81.03361	0.8
81.07012	1.2
85.02876	1.2
91.05444	1.0
92.44869	0.5
93.06998	0.9
95.04939	0.6
95.08537	0.6
97.06469	1.2
97.10128	0.5
97.87839	0.5
105.06972	0.7
107.08528	1.0
108.81332	0.5
109.02834	0.9
109.10125	0.5
119.08499	0.6
121.10136	0.8
127.03911	0.9
127.35857	0.5
131.08531	0.7
133.10071	0.6
139.00571	1.0
141.02170	0.5
145.10107	0.6
147.11607	0.6
153.02043	0.5
155.03633	0.6
157.01688	1.0
159.03333	0.6
160.11096	0.8
161.11531	0.6
167.03760	1.8
169.01703	0.5
171.03198	1.7
174.74931	0.6
185.04872	5.6
199.06282	0.5
203.05908	4.3
211.06352	1.9
213.07951	0.8
221.08464	1.2
223.06464	1.3
223.10040	0.6
229.07503	1.7
231.06894	1.2
237.08017	1.2
239.09508	0.7
241.07455	0.7
246.83170	0.5
249.07942	12.3
249.10426	0.8
255.09036	1.8
258.08966	0.9
259.09229	1.4
266.58316	0.6
267.09045	100.0
268.09366	1.0
285.10101	84.1
290.10599	4.7
293.21127	0.7
299.11670	53.7
303.11099	0.8
308.11691	4.8
317.12720	59.6
329.06293	0.7
338.07602	0.6
340.14313	9.1
367.08188	0.6
386.43472	0.5
413.08774	1.7
449.63260	0.5
509.24664	2.6
527.25385	4.8
559.27832	15.8
583.92767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35533	1.0
53.03931	2.8
55.01866	4.3
57.03427	3.4
61.02907	3.1
68.99783	2.8
69.03432	13.0
70.06565	1.3
70.57753	2.8
71.01372	1.4
71.04970	2.5
72.23559	1.0
73.02915	2.9
79.05478	2.2
81.03416	13.7
85.02908	27.4
87.00838	13.1
87.04430	1.2
91.05479	5.9
93.07024	1.4
94.04182	1.4
95.04951	1.6
97.02896	13.9
99.04456	5.0
103.03954	1.4
103.05434	2.9
105.01863	7.6
105.07011	2.8
107.04966	1.9
109.02895	15.2
109.06507	2.3
111.04436	1.5
115.03941	4.0
115.05454	3.0
117.01850	1.7
117.07039	2.1
117.17730	1.0
119.04929	2.3
119.08573	2.1
121.06544	1.2
122.03651	3.8
127.03915	17.7
128.06218	2.0
129.01837	1.6
129.07024	1.4
131.04947	5.3
133.06496	3.6
137.05983	55.1
141.07013	6.2
143.04953	1.6
144.05667	1.0
145.04968	7.6
145.06444	2.1
146.03639	1.6
147.02850	2.2
147.08040	2.0
149.05998	4.7
151.03918	9.9
151.05016	1.6
151.07556	6.4
153.06961	1.6
155.04924	4.6
159.02887	8.3
159.08090	3.1
160.05287	1.7
161.05980	12.7
163.07506	3.7
163.13326	1.3
165.06981	1.1
168.05627	1.1
169.06543	7.7
174.06778	1.3
175.07542	16.7
177.05495	1.2
179.08621	0.9
186.06755	1.5
187.07553	12.6
189.03947	1.5
189.05417	3.0
189.06979	1.5
189.09077	2.1
190.07764	4.4
191.07001	2.8
191.08563	14.8
195.08028	1.2
197.06027	2.4
199.07544	9.3
201.03853	1.9
201.09090	4.5
202.07780	2.5
203.06985	2.2
203.08649	2.3
205.06511	2.3
206.07405	1.3
207.08057	2.8
208.08896	2.2
211.07471	2.8
213.09082	1.0
215.06880	2.1
215.08664	2.5
217.06483	1.0
217.08537	1.6
218.07243	4.2
219.08061	21.5
220.08817	3.9
221.09529	1.7
223.07579	1.2
227.67102	1.1
229.06551	1.3
229.08624	14.2
231.04996	4.1
231.08078	6.1
232.08824	2.2
233.09621	4.3
234.06805	1.6
235.07417	4.5
236.08289	6.9
237.09143	1.6
239.06924	1.0
241.08521	2.6
242.07283	1.2
243.08128	5.8
245.09801	1.5
246.06744	1.7
247.07574	11.3
248.08405	2.5
249.09120	3.2
250.09915	1.6
251.10683	29.2
253.08545	2.3
259.07516	5.3
259.09906	1.7
260.08340	4.4
261.09094	6.9
262.06549	1.1
262.09677	1.5
263.07034	2.8
263.10696	3.5
264.07861	7.7
265.08609	4.2
265.12119	1.0
267.10126	1.8
271.07599	3.9
272.08237	3.0
273.09125	1.7
274.06259	1.2
275.07330	1.5
275.10641	6.6
276.07800	3.3
276.11325	0.9
277.08597	4.1
278.09433	2.6
279.10168	33.0
280.10953	3.4
281.08163	3.6
281.11713	2.2
283.09796	1.3
286.10065	1.0
287.07022	1.7
287.10529	1.8
288.07910	5.0
289.08600	7.2
290.09479	1.1
291.10229	7.5
292.10660	1.3
293.08261	1.7
293.11713	3.8
295.09625	3.5
296.10468	5.0
301.08514	2.1
302.09262	3.0
303.10153	16.3
304.10852	2.0
305.08188	2.2
306.08862	1.5
307.09784	1.6
307.13171	1.4
308.10648	1.7
309.11581	6.2
310.12427	1.6
311.12772	100.0
315.10046	2.6
317.08044	1.2
317.11423	2.1
318.08890	1.3
319.09811	1.5
320.10330	2.5
321.11264	10.8
323.09491	1.0
323.12805	18.6
325.14279	3.3
326.09344	1.6
327.10080	1.2
332.10574	1.1
333.11252	6.1
335.12817	16.4
337.14420	2.2
341.11337	1.4
345.11133	3.1
347.12781	5.6
349.14386	1.3
353.13852	23.5
355.09604	1.4
359.12701	4.4
365.13992	4.6
369.11395	2.4
373.14160	3.4
377.13910	7.0
391.15198	1.2
401.13873	13.5
419.14984	8.5
437.15912	3.2
455.17072	1.2
473.17438	1.0
479.16809	1.3
497.18066	4.2
505.14832	3.2
515.18744	1.6
523.16168	7.4
541.17401	6.5
559.17950	7.4
559.31818	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02415	2.3
53.03931	7.6
55.01859	6.1
55.05505	11.8
56.96555	3.8
57.03420	6.1
57.07061	6.9
59.04990	3.8
61.02918	3.2
67.05515	24.4
69.03435	33.8
69.07055	11.4
69.84012	2.6
71.04974	5.4
73.02896	6.0
79.05502	14.6
81.03417	21.5
81.07059	22.1
83.04987	17.9
83.08618	6.6
85.02378	3.1
85.02906	56.0
85.06547	29.7
87.00831	21.9
87.65680	2.4
91.05464	11.8
93.07046	34.9
95.04966	10.2
95.08613	35.8
97.02905	18.3
97.06549	16.1
97.10184	2.6
99.04440	9.2
99.08076	4.2
105.01878	15.7
105.07042	16.1
107.04953	2.7
107.08604	28.2
107.37867	2.1
109.02865	20.7
109.06530	6.1
109.10149	13.2
111.08069	3.6
113.06003	4.9
113.09643	19.4
117.07021	5.6
119.08585	23.3
121.06519	3.9
121.10152	100.0
123.08039	4.4
123.11716	6.8
125.09621	7.3
127.03916	29.3
127.07545	8.1
129.06993	2.4
131.08542	8.6
133.10095	21.5
135.08055	3.4
135.11682	10.3
137.09569	4.3
139.11198	6.6
145.04935	10.2
145.10129	23.3
147.11705	14.7
149.09618	10.1
149.13249	8.4
151.11153	6.5
153.09106	8.3
157.10152	5.5
159.02898	8.3
159.11697	8.6
161.13303	8.4
163.11157	7.5
163.14807	6.0
165.09090	2.9
167.10756	2.3
173.13292	15.6
175.11217	3.3
175.14859	3.0
177.05394	3.4
181.12190	3.8
187.11136	2.6
187.14796	14.6
188.15527	3.6
189.12735	4.8
189.16365	3.6
191.14360	9.3
199.14859	6.6
201.12723	3.4
205.15901	10.0
207.13818	5.9
211.11356	2.8
211.13240	3.8
215.10626	3.3
215.14229	3.3
215.17947	3.3
217.15828	4.4
219.13901	4.6
229.19519	6.6
231.05035	6.1
233.15346	4.4
235.16853	4.9
239.18109	2.7
247.20546	6.9
257.19031	15.6
267.09055	4.7
275.20078	66.6
285.10101	7.2
293.21106	66.1
303.15799	12.8
305.21252	3.2
312.35922	2.6
329.17447	9.4
361.20145	4.5
460.27512	6.9
487.23447	5.9
505.24023	5.0
523.25024	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	558.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
57.07074	5.7
58.06585	1.3
58.51796	0.7
63.73653	0.8
67.05493	1.5
69.03429	1.0
69.07077	1.4
70.06595	17.9
71.08624	3.4
71.53365	0.9
72.08167	0.8
79.05486	1.5
81.03394	1.3
81.07059	1.7
85.02909	1.7
86.09679	1.0
88.07636	17.8
91.05480	2.3
93.07040	2.7
95.08597	0.9
96.13912	0.7
102.09186	12.0
105.07038	1.4
107.08577	1.2
119.08556	1.4
121.10139	1.2
135.11720	0.8
145.02747	0.9
149.02354	36.3
149.03406	1.6
156.17482	1.2
178.05911	0.8
184.07318	1.0
193.04973	46.9
200.20103	39.9
221.66177	0.7
225.05577	0.9
225.72659	0.9
269.04489	1.4
297.04071	3.0
313.07028	2.4
341.06595	9.1
352.97754	0.8
357.15686	1.9
359.07596	5.2
385.09186	42.6
453.28497	0.8
528.23541	0.9
540.26526	0.8
558.27014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25198	1.7
53.03945	3.1
55.01883	2.8
55.05512	18.0
57.03438	5.2
57.07070	4.2
59.74637	1.3
64.46716	1.5
65.03940	1.6
67.05182	2.4
67.05511	28.8
69.07079	13.3
71.05006	2.2
71.53719	2.6
71.82790	1.5
74.09721	1.8
79.05062	3.1
79.05498	31.0
81.03434	2.2
81.07063	27.3
81.20578	1.4
83.04989	14.9
83.08626	6.9
85.06573	1.9
91.05486	29.2
93.07055	27.1
95.04983	4.8
95.08621	22.8
97.02921	7.7
97.06509	2.8
97.10167	3.0
98.66284	1.3
101.06019	2.0
103.31921	1.4
105.07038	26.6
107.04980	3.9
107.08593	14.7
109.06542	1.8
109.10148	7.7
111.04463	6.1
111.08083	2.1
117.07043	13.3
119.08600	22.7
121.06511	1.9
121.10139	7.6
123.08102	2.4
123.11815	1.7
125.09638	3.1
128.06265	4.4
129.07011	13.0
131.08586	22.4
133.10141	14.1
135.08070	2.1
135.11713	6.1
141.07010	6.4
142.07813	3.4
143.08566	15.6
144.09341	1.6
145.06519	2.1
145.10135	22.9
147.11711	17.3
149.09563	3.1
149.13275	4.1
154.07816	2.8
155.08540	17.0
156.09393	2.1
157.10139	17.5
159.11722	15.7
161.13252	8.5
163.11166	2.1
163.14920	1.7
167.08585	5.2
168.09529	2.2
169.10156	16.4
171.11726	17.8
173.13284	9.5
175.14940	3.7
177.12794	2.5
179.08559	1.9
181.10194	9.3
183.11746	16.2
185.13260	12.4
187.11201	3.4
187.14894	2.9
189.12929	1.8
193.10168	2.4
195.11746	9.7
197.13266	9.9
199.14880	6.9
201.16478	2.2
207.11769	3.6
207.13669	2.9
209.13316	7.4
211.14890	5.9
213.16425	7.2
221.13419	2.0
223.14906	5.0
225.16528	2.9
235.14957	2.6
237.16376	4.2
241.19670	5.0
247.17059	2.8
251.18036	2.7
257.19168	2.5
259.20630	8.9
273.18225	1.7
279.16058	2.4
281.17337	7.4
311.23538	2.1
323.23788	3.8
333.24466	3.9
335.23886	2.7
341.24759	1.6
353.24957	3.3
357.24185	2.2
357.70233	1.5
367.26242	2.2
419.33374	2.1
426.14508	1.8
429.31696	4.1
437.34293	9.7
447.32684	20.1
465.33762	18.8
483.34930	17.0
501.36057	3.3
503.35419	2.2
521.36407	6.2
527.37543	2.4
529.39258	5.2
539.37384	100.0
557.29742	3.3
557.38483	56.3
573.01343	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
53.37384	1.7
55.01865	4.5
55.05515	11.5
56.96554	2.7
57.03427	5.1
57.07080	2.5
67.05505	16.4
68.99796	1.7
69.03432	18.8
69.07065	8.4
69.64481	7.0
69.64884	4.0
71.04978	7.1
72.19534	1.6
73.02908	3.4
79.05518	8.7
81.03419	12.6
81.07057	16.4
82.09353	1.4
82.77143	1.8
83.04977	14.0
83.08624	5.0
85.02921	26.8
85.06553	22.5
87.00840	11.8
91.05486	7.6
93.07037	12.2
95.04964	5.9
95.08615	22.3
97.02896	12.6
97.06562	4.6
97.10184	1.8
98.20791	3.3
99.04456	5.6
99.08085	5.6
101.06036	2.2
105.01852	7.8
105.07051	14.2
107.04968	2.9
107.08074	1.3
107.08604	13.9
109.02875	7.9
109.06512	4.7
109.10166	13.9
111.04473	1.6
111.08088	3.6
113.09660	16.7
117.07026	1.9
119.08590	15.5
121.06422	4.0
121.10161	13.4
123.08061	6.7
123.11703	5.1
125.09658	12.9
127.03915	14.3
127.07558	1.6
129.07008	1.8
131.08557	6.6
133.06522	2.2
133.10139	14.0
135.08064	19.5
135.11671	5.0
137.05884	1.6
137.09645	12.6
139.11159	6.3
142.07701	1.7
143.08568	6.3
145.02853	4.9
145.04951	6.0
145.10094	10.5
146.07242	1.8
147.08087	4.0
147.11671	6.7
149.09628	13.9
149.13245	1.7
151.07549	4.6
151.11124	2.8
153.09077	7.4
153.10248	1.9
154.87990	1.5
155.08614	2.0
155.10686	1.9
156.09370	5.4
157.10132	7.8
159.02890	3.7
159.08101	9.1
159.11694	6.5
161.09644	14.2
161.13268	5.8
163.03947	1.8
163.11230	3.7
165.09126	11.8
165.12759	1.7
169.10187	2.1
171.08084	2.3
171.11679	10.0
173.09624	6.6
173.13264	6.2
175.11162	9.1
175.14822	3.2
177.05460	11.1
177.09099	5.8
177.12782	2.6
183.11732	3.1
185.09654	4.2
185.13298	8.5
187.11177	2.9
187.14845	5.2
189.09152	2.1
189.12772	13.4
191.10657	2.2
191.14357	6.7
195.11749	3.0
199.11218	5.1
201.12750	3.5
203.10606	2.9
203.14287	6.2
208.03462	1.8
213.12747	10.8
215.14334	8.3
217.12302	3.2
217.19588	3.6
219.13821	1.8
223.06038	18.2
227.17995	5.4
231.05009	2.5
231.13805	4.4
245.19067	6.5
255.17476	13.1
257.18945	2.9
259.09787	2.5
263.20203	2.0
267.09012	3.7
273.18515	43.1
283.06076	2.5
285.10114	2.9
291.19553	100.0
299.11768	2.2
309.20575	26.9
494.84827	2.1
557.26422	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	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
56.96569	2.6
61.49526	2.0
69.03431	4.5
69.07064	2.1
69.50212	8.9
69.50632	4.7
70.06597	13.2
71.04994	5.1
72.08151	3.2
79.05480	2.8
81.03425	2.3
81.07034	2.3
83.04977	2.8
84.08141	4.3
84.96038	1.7
85.02903	13.9
85.07193	1.8
85.41367	1.8
86.09711	8.9
87.19424	1.9
88.03997	2.7
89.91624	2.0
91.05474	7.3
93.07063	3.7
94.04183	2.6
97.02887	5.6
98.47153	2.1
98.97587	8.6
103.05460	12.1
104.07147	2.4
105.07053	4.8
107.04949	3.6
107.08607	3.2
109.02897	4.4
109.06529	5.7
111.04451	3.1
119.04939	7.2
121.53290	2.1
122.03645	8.2
127.03889	3.2
127.07574	1.9
129.07022	17.6
129.10213	2.4
131.04959	24.8
131.08560	2.3
132.03001	2.0
132.75223	2.1
133.02873	4.7
133.06505	3.5
137.05991	100.0
141.03732	3.1
143.04932	2.9
144.05711	3.1
145.04929	2.4
147.04410	4.4
149.06007	3.1
151.07559	6.2
151.11237	2.7
153.05463	5.4
157.06474	17.0
159.07979	2.3
160.05246	6.1
161.05984	9.4
163.03963	2.8
163.07542	15.0
172.05238	3.3
174.06895	4.6
175.07541	29.4
179.07022	4.1
186.05844	5.0
187.07549	33.4
189.09108	40.5
193.04988	22.8
205.08607	4.2
207.10202	4.0
217.08664	8.2
219.08040	5.3
231.07817	3.8
251.10757	3.8
270.08905	2.6
271.09586	2.9
272.13196	10.6
279.10187	6.0
283.09769	3.5
290.14282	3.3
291.10156	9.5
296.10376	4.1
298.08765	2.5
308.15335	7.3
311.12817	22.6
323.12796	14.1
329.13858	2.6
330.52567	2.2
341.13834	28.9
475.06485	2.3
503.19061	2.4
514.72546	2.2
530.94427	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	556.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.3
57.03428	9.9
57.07075	40.1
67.05502	15.8
69.07066	12.1
70.06578	12.6
71.08626	28.8
77.85200	2.7
79.05490	12.9
81.07049	21.6
83.08611	13.3
85.10189	16.8
88.07635	6.8
89.06027	24.1
89.39310	2.7
89.59116	2.7
91.05489	4.4
93.07046	20.6
95.04947	4.7
95.08605	33.8
95.98196	2.7
97.02900	3.7
97.10159	6.3
98.20746	7.0
102.09190	4.2
105.07045	4.9
107.04949	3.5
107.08608	21.8
109.10153	8.5
117.06994	7.4
119.08596	7.0
121.06525	4.3
121.10162	9.0
123.11742	2.9
132.10228	3.5
133.08597	9.8
135.11681	39.7
142.16061	3.2
145.10112	21.2
146.11771	6.5
163.11169	49.5
177.11273	5.8
181.12254	9.3
227.12784	46.1
227.69958	2.8
256.26349	10.0
283.15396	51.3
283.26291	47.1
300.28931	28.8
313.27338	73.8
313.30753	5.9
318.29984	3.0
371.22702	6.4
407.79111	2.8
521.38257	63.6
550.83972	3.4
556.52979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70312	0.7
54.49259	0.6
58.99848	1.0
69.03441	2.2
69.61204	4.4
77.00937	1.1
81.03423	2.1
82.99883	4.8
83.29529	0.8
85.02902	3.8
86.99345	1.4
94.99857	1.5
97.02900	1.9
98.97598	1.0
101.00887	32.3
103.02473	1.9
109.01433	2.4
109.02897	2.5
113.00867	8.5
115.02464	2.4
117.04011	3.0
118.08615	0.8
119.01929	51.1
121.02827	0.8
123.14464	0.7
123.27661	0.7
127.02427	13.1
127.03923	2.7
129.03998	2.4
131.01920	23.1
133.03517	4.5
135.05043	1.4
137.00873	0.8
137.02975	5.3
139.02438	3.5
141.03979	6.0
142.03554	1.2
143.01904	42.4
145.03474	62.2
146.04218	0.9
147.01418	2.4
147.05052	2.4
149.02969	2.2
153.04008	2.2
155.01910	29.6
157.03467	10.9
159.05048	22.6
161.02975	41.0
163.04533	8.6
167.01894	15.2
168.05115	1.6
169.03473	58.3
171.01407	5.8
171.05037	14.1
173.02980	36.1
175.04527	3.6
177.06087	1.4
179.01921	7.2
181.03462	10.5
183.05055	2.8
184.04567	2.0
185.02969	59.9
187.04536	87.0
189.02455	17.0
189.06123	1.9
191.04036	1.8
193.03508	2.5
195.01453	3.8
195.05110	2.0
196.04523	0.8
197.02966	21.2
197.06664	2.5
199.04539	18.9
201.02444	2.8
201.06139	2.2
203.04028	17.4
205.03668	1.6
205.05525	1.3
207.01582	0.8
207.03584	2.9
208.04619	1.1
209.03029	2.3
210.06155	2.4
211.04535	15.2
213.02475	22.3
213.05937	3.7
214.84973	1.4
215.00385	2.8
215.04016	14.7
217.05600	1.8
219.01709	1.2
219.07184	1.5
221.03159	0.9
221.05046	4.2
223.04605	4.7
225.02386	5.0
227.04065	13.4
229.05612	4.2
231.03528	31.0
233.01427	4.2
237.02655	1.5
239.00371	1.1
239.04031	1.8
241.05672	1.2
243.03548	5.1
243.07129	1.0
245.05090	100.0
246.05327	2.5
247.04984	1.6
249.04628	1.2
251.02562	1.8
252.46217	0.9
253.05630	1.8
254.05241	1.0
255.03525	2.6
257.01413	10.3
257.05124	5.9
263.06165	12.6
267.03668	1.5
269.01462	1.1
271.03375	1.4
271.06592	16.3
271.09189	1.1
273.04605	3.8
273.07864	1.8
274.08044	0.9
275.02557	64.0
275.06134	25.4
281.09982	0.9
285.04782	1.2
286.07806	1.3
287.02490	23.0
287.05725	1.4
289.07678	3.3
289.10818	0.8
291.05496	1.1
293.03595	12.5
293.07230	6.7
297.04602	2.2
299.02289	1.0
304.62521	1.0
305.03604	21.7
305.07248	11.3
311.04800	0.9
315.05627	6.3
316.05109	1.0
317.03607	2.4
317.06985	1.8
333.06696	5.1
335.04645	28.5
335.08289	5.3
341.03613	5.7
347.08292	0.9
351.07825	1.0
359.04626	21.2
365.09311	11.7
377.02008	0.7
377.05655	65.1
395.06741	92.7
467.08701	1.6
521.09985	1.9
539.10889	10.4
557.12067	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01870	3.5
56.96575	1.3
57.03399	0.9
61.02931	2.2
64.84904	0.9
66.67238	1.0
67.49429	0.8
69.03429	2.6
70.06586	4.3
71.05013	1.1
71.53658	1.1
79.05474	3.5
81.03404	2.0
81.07056	1.4
84.04531	1.4
84.08147	2.0
85.02927	8.2
86.09705	2.2
91.05482	28.9
93.07040	2.5
94.04198	2.3
95.04976	3.1
97.02886	3.8
98.97618	1.4
99.04451	1.1
103.05474	42.7
105.03403	7.6
105.07038	16.2
107.04952	4.8
107.08601	1.7
109.06525	6.1
115.05460	4.3
119.04949	43.2
121.06503	3.2
122.03636	3.3
123.08049	3.1
126.61909	0.9
127.03918	1.4
128.06230	1.0
129.07014	1.9
130.04175	1.1
131.04936	100.0
132.05696	1.6
133.02882	6.2
133.06502	17.3
135.04456	1.0
135.08066	2.6
136.07556	1.1
137.05984	72.0
139.07570	1.4
143.06039	1.8
143.69325	0.9
145.04922	1.4
145.06508	1.9
147.04401	15.4
147.08040	1.7
149.05988	4.4
150.06776	1.2
151.07561	20.3
157.06429	1.4
159.08078	2.8
161.05995	70.3
162.06793	6.2
163.07552	68.5
165.05487	4.2
172.05208	1.6
173.05948	1.5
174.26810	0.9
175.07558	17.2
177.05499	1.4
177.09012	1.0
179.07048	25.0
179.08580	1.7
184.07326	1.4
187.07536	12.1
189.09146	2.7
191.07072	1.9
191.08586	1.4
193.08615	4.0
205.08615	10.0
217.08597	3.6
219.08078	3.0
231.08002	1.0
235.09685	3.4
247.07393	1.5
251.10724	3.4
262.55505	0.9
279.10202	6.0
291.10052	5.0
295.13428	1.0
296.10355	1.7
309.11139	8.2
311.12799	16.0
317.47266	1.0
323.12891	4.7
329.13739	4.6
341.13855	10.5
359.14908	2.7
371.99335	0.9
446.72293	1.1
452.45422	1.0
475.07208	3.0
478.60730	1.1
554.06439	1.0
556.20227	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01873	3.3
55.05502	1.4
56.96573	1.7
57.03429	2.1
61.02932	2.3
65.03944	2.8
69.03424	3.4
70.06594	3.7
70.10063	3.1
71.04999	2.7
72.08158	1.3
73.02913	1.3
79.05499	4.1
81.03434	2.7
81.07053	1.1
85.02915	12.4
86.09719	1.5
91.03963	1.8
91.05492	32.2
93.07046	2.8
94.04207	1.7
95.04982	1.9
97.02922	4.7
98.97589	1.8
103.05477	44.5
105.03417	6.6
105.04520	1.1
105.07038	21.8
107.04981	4.2
108.05712	1.2
109.02867	1.1
109.06522	7.7
115.05472	4.3
117.07027	1.6
118.04209	2.0
119.04954	46.0
119.08598	2.2
121.06493	3.2
122.03648	3.7
123.08083	3.9
127.03902	2.0
128.06274	1.2
129.06995	2.2
131.04939	100.0
133.02852	8.0
133.06505	21.7
135.04388	1.4
135.08101	1.1
137.05988	84.7
143.05025	1.6
143.06079	2.3
145.04999	2.5
145.06470	2.4
146.07277	1.0
147.04416	17.0
147.08057	1.7
149.05991	5.7
151.07558	22.0
157.06508	2.0
159.08066	2.3
160.05267	1.4
161.06000	87.1
162.06740	6.4
163.07558	63.1
165.05531	5.8
172.05243	1.1
175.07559	20.3
177.09045	1.1
179.07063	24.5
187.07564	16.0
189.09108	3.0
190.06177	1.4
191.06996	1.5
191.08485	1.8
193.08620	5.7
199.07512	1.2
205.08632	11.9
217.08653	4.2
219.08136	4.5
219.09993	1.3
231.08000	2.7
233.57353	1.0
235.07535	1.3
235.09639	3.1
236.08400	1.8
247.07570	2.3
248.08389	1.5
251.10721	4.8
257.43219	0.9
259.07663	1.7
263.10733	1.3
277.51190	0.9
279.10019	5.0
280.10806	0.9
291.10223	7.8
296.10483	1.2
309.11191	9.6
311.12802	19.2
323.12808	6.7
329.14008	5.7
330.02045	2.4
339.02539	2.1
341.13818	13.0
359.10699	1.2
359.14969	3.7
377.01685	1.4
385.04974	1.0
402.04147	2.9
402.54172	1.1
475.07230	10.8
475.57089	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	555.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05717	0.4
55.05502	0.8
63.04313	0.5
67.05498	1.4
71.26201	0.8
71.60390	0.4
75.05344	0.4
76.60558	0.4
77.29043	0.4
79.05498	1.9
81.03380	1.0
81.07050	1.6
91.05487	1.3
93.07050	0.9
97.02804	0.4
103.39074	0.4
105.07018	1.1
107.08601	0.7
117.07005	0.9
119.08589	2.1
121.10209	0.5
128.84442	0.5
145.10133	0.7
159.08119	0.4
173.09650	0.7
203.05286	0.9
259.07983	1.3
271.16898	0.5
312.80542	0.5
319.21179	0.9
393.26050	0.7
537.29871	0.9
539.37134	0.5
555.31403	100.0
556.31598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.8
57.83712	0.6
61.58535	0.6
70.06588	0.9
71.52442	1.0
71.77212	0.6
102.58521	0.6
117.05757	0.7
117.06998	0.8
118.06549	14.1
130.06535	1.9
132.08089	5.0
142.06506	1.8
143.07304	1.3
144.08078	10.4
146.06013	57.9
159.09192	4.5
160.07608	1.4
163.03867	0.6
163.23441	0.6
170.06020	3.3
187.74475	0.8
188.07077	100.0
205.09740	52.6
206.10074	1.0
213.12393	1.3
261.05460	1.0
279.06729	0.8
288.83295	0.7
338.81003	0.8
554.63550	0.7
555.12762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01866	0.3
55.05519	0.2
57.03427	0.3
61.02931	0.2
67.05502	0.4
69.03426	0.8
69.07056	0.5
70.06570	0.3
70.62141	0.5
71.04979	0.3
78.04720	0.4
79.05481	0.5
80.86618	0.2
81.03427	1.0
81.07053	0.5
85.02905	1.6
85.06538	0.4
87.00843	1.0
91.05473	0.4
93.07033	0.3
94.88711	0.2
95.04962	0.4
95.08587	0.4
97.02901	2.0
97.06525	0.3
98.97581	0.3
99.04470	0.4
105.01866	0.8
105.03407	0.3
105.07014	0.3
106.04136	0.2
107.04962	5.0
107.05705	0.2
107.08576	0.2
109.02882	1.6
109.06489	0.3
119.08543	0.2
120.08086	0.4
121.10130	0.3
127.03934	2.2
133.02837	0.4
134.03621	0.7
135.04420	1.6
145.02834	0.2
145.03954	0.3
145.04976	0.8
149.02393	0.2
150.03120	0.2
151.03966	0.2
159.02893	0.3
161.02351	0.3
162.03136	4.9
163.03905	4.7
167.07112	0.4
179.03375	1.6
180.04175	0.4
190.02615	9.1
191.03365	0.4
193.01311	0.5
194.02127	0.6
195.06505	0.9
196.33215	0.2
207.02914	2.5
208.03673	6.4
221.04482	0.5
223.06018	100.0
224.06415	0.5
231.04979	0.4
237.03009	0.2
257.08133	0.3
289.10663	0.9
289.18213	0.2
307.11636	0.2
397.69846	0.2
555.24408	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	555.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	1.6
57.03440	1.6
58.99584	3.8
61.02921	2.3
66.31126	0.8
67.05513	3.4
69.03443	4.5
69.07075	10.1
70.06580	1.9
71.53931	1.4
73.02922	12.0
76.02223	2.5
81.03420	1.7
82.65067	0.9
85.02905	8.4
87.04431	1.0
95.04967	1.2
97.02911	4.2
97.54333	0.8
98.97576	2.2
99.02722	0.8
100.28842	1.0
101.04253	27.5
109.02847	1.4
112.07600	1.3
122.02661	1.0
126.05453	0.9
127.02127	3.0
127.03940	1.6
127.05768	1.7
129.03705	2.3
140.07083	7.4
163.03957	1.7
168.04715	0.9
170.06369	2.0
172.04283	79.0
180.04750	1.1
182.08174	2.7
197.07491	2.4
198.05884	4.7
206.08125	1.3
214.05331	9.2
215.08553	5.0
229.17661	0.8
237.00740	1.1
244.06447	6.0
261.09061	7.1
278.49097	0.8
286.07449	0.9
303.10443	0.9
377.13721	3.5
423.14349	100.0
465.15811	1.0
477.33786	0.9
501.15366	5.0
519.16199	0.9
529.78796	0.9
537.16901	1.1
555.18335	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	553.299
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
56.96582	0.4
67.05499	0.8
69.50845	2.9
79.05499	0.7
80.46232	0.4
81.07043	1.1
84.97729	0.4
91.05506	0.6
93.07063	0.7
95.05022	0.5
95.08611	0.5
96.40780	0.4
98.97614	0.6
105.07029	0.8
107.08550	0.5
109.10158	0.6
119.44129	0.4
127.03880	0.4
149.13339	0.4
184.07390	0.9
203.05276	1.2
227.06627	0.5
259.07950	0.6
317.19681	1.0
391.24500	1.2
438.93088	0.5
541.50385	0.5
553.29852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79171	0.8
63.55690	0.8
67.05501	1.9
71.05010	1.3
71.54673	1.3
79.05492	1.4
81.03421	1.8
81.07068	2.2
87.10042	1.0
89.50101	1.0
91.05491	1.3
93.07077	1.3
95.08583	1.3
97.02900	0.9
98.50369	0.9
107.08581	1.3
109.10159	1.7
119.08611	1.4
125.00049	1.3
142.59433	0.9
161.16728	0.8
173.11688	0.8
183.70604	0.8
184.07394	2.7
185.07692	1.3
186.07976	0.9
203.05363	1.1
317.19632	1.9
333.29300	1.0
465.29974	1.0
553.29865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
56.96548	0.3
57.85347	0.2
67.05528	0.3
69.59619	1.7
83.01108	0.8
84.01891	0.3
86.09723	0.9
91.05488	0.3
95.01101	0.4
96.01875	0.5
104.10766	0.5
110.97601	0.3
125.00010	0.5
131.64964	0.3
133.03506	0.3
136.93137	0.3
156.03952	0.4
158.99712	0.3
184.03467	0.5
184.07324	2.4
185.04216	1.7
201.03662	1.5
203.05322	2.0
240.10046	0.3
247.68135	0.3
259.07941	1.7
279.13916	0.3
299.18802	0.3
317.19727	1.0
331.10007	2.4
333.17389	0.3
334.65439	0.3
335.20508	0.4
345.11514	0.4
353.36749	0.3
359.13232	0.6
359.20602	0.3
373.14856	0.5
391.24542	0.6
391.93875	0.3
401.17981	0.4
415.19507	1.0
441.20901	0.5
455.22446	0.9
483.21875	2.0
518.32397	0.3
535.28729	0.7
553.29865	100.0
554.29907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35053	0.7
58.99867	1.3
59.15097	0.7
68.98280	1.2
69.03413	1.8
71.53148	1.0
73.02911	0.7
77.00880	1.0
81.03434	1.6
82.99887	2.5
85.02895	3.4
94.99854	0.9
95.01331	1.3
95.04971	0.7
95.08488	0.7
97.02890	1.3
98.97576	1.2
101.00887	22.7
102.79002	0.8
104.12756	0.8
109.02887	1.5
110.97545	1.0
113.00874	5.6
115.02444	8.7
116.98633	0.9
119.01926	36.3
127.02451	3.9
127.03896	2.3
129.03967	2.8
131.01910	17.5
133.03481	24.1
137.00842	1.4
137.02969	3.4
137.05923	0.9
139.02402	2.0
141.03995	2.6
143.01904	22.5
145.03477	16.8
145.04747	1.0
147.01357	1.7
147.05034	3.4
149.02940	2.5
151.04517	2.3
153.01894	0.8
153.03934	0.9
155.01897	20.3
157.02238	1.1
157.03481	14.2
159.05042	13.6
161.02959	23.4
163.04527	1.3
167.01900	14.3
169.03485	8.8
170.99632	0.8
171.05029	4.9
173.02959	24.5
175.04591	4.4
177.06093	9.0
179.01878	4.8
181.03415	6.8
183.05070	5.9
184.04544	0.8
185.02965	58.6
186.01390	0.8
186.03062	1.0
187.04524	7.3
191.04010	1.6
191.07648	1.4
193.03423	1.0
195.01260	1.5
195.05176	1.6
195.07159	3.3
197.02960	17.5
197.06633	1.5
199.04530	14.5
201.00729	2.6
201.06090	14.1
203.04019	18.3
207.05077	0.8
208.04573	2.0
209.02989	5.6
209.06631	0.8
209.08702	1.3
210.94051	13.2
210.97668	2.1
211.04526	3.0
211.08238	1.2
213.02435	13.7
213.06097	2.3
215.04041	10.2
215.07658	1.6
217.05666	1.1
219.01866	1.6
219.07137	2.5
221.03053	1.5
221.05058	3.8
223.04521	1.8
225.02420	3.9
225.05994	1.1
227.04013	22.4
227.07549	1.5
229.01999	1.2
231.03532	10.7
235.04543	1.1
237.02740	1.1
237.06088	2.0
239.00375	5.1
239.03909	3.9
241.05589	1.9
243.03543	2.4
243.07120	1.0
245.05078	100.0
246.05226	1.2
247.02980	2.7
249.02516	1.3
251.04071	1.3
253.01927	23.6
255.03523	1.1
255.07123	1.0
257.01468	7.6
257.05054	6.7
259.06635	1.6
261.02731	1.9
263.00803	0.8
263.03668	1.6
263.06149	12.0
265.01859	2.3
267.03540	2.6
269.05109	2.3
271.03006	73.8
271.06299	2.8
273.04517	1.3
275.02966	1.5
275.06113	13.6
279.03723	1.4
281.05243	1.4
283.03046	6.6
285.04498	1.1
287.06012	1.7
289.04065	46.1
289.07297	2.1
293.01590	0.8
293.07413	3.8
294.04761	1.1
295.03018	2.7
297.04620	1.7
299.05963	1.0
301.04071	20.2
303.09351	1.6
305.07260	10.9
307.02808	1.3
312.05566	2.9
313.03891	3.6
315.05698	5.0
319.05164	3.5
325.04068	1.8
329.07263	1.9
331.05118	27.9
333.06641	2.1
335.08301	6.2
341.03586	1.7
343.04886	1.8
347.04181	1.6
347.08255	23.7
355.05099	3.3
359.04709	3.7
365.09293	10.2
373.06146	37.9
381.07880	1.8
391.07217	38.8
409.07834	1.0
417.04730	3.2
454.43445	0.8
460.43707	0.9
553.12445	27.3
553.20947	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51303	0.1
56.05043	0.5
57.03438	0.2
58.06639	0.5
59.07388	0.2
60.08167	6.4
60.70327	0.2
63.29722	0.2
67.05506	0.3
70.54179	0.3
70.54540	0.4
71.07384	2.6
71.87954	0.2
77.27631	0.2
79.05502	0.4
81.07052	0.3
86.09710	29.4
91.05518	0.2
91.33797	0.2
93.07056	0.3
94.78205	0.1
95.08620	0.3
98.98473	2.9
104.10753	3.1
105.07034	0.2
108.44356	0.2
125.00009	20.1
152.45197	0.2
156.14081	0.2
174.72430	0.1
175.79291	0.2
184.07347	100.0
185.07709	0.3
228.00887	0.2
258.10977	0.3
283.19635	0.2
339.28107	0.2
390.23203	0.2
419.25565	0.2
446.23166	0.5
464.24069	2.2
500.31454	0.2
518.32526	2.1
534.31805	0.2
552.28534	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	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32085	0.1
56.05038	0.6
56.38512	0.1
58.06645	0.4
59.07396	0.2
60.08166	6.1
67.05498	0.3
71.06985	0.2
71.07375	3.4
71.07795	0.2
71.07932	0.2
80.98865	0.1
81.07048	0.3
86.09711	29.6
91.05436	0.1
93.07032	0.2
97.10168	0.2
98.98468	3.1
104.10743	4.0
125.00012	21.0
127.31094	0.1
138.36211	0.1
143.01114	0.2
143.30219	0.1
154.04332	0.1
174.01915	0.1
184.07350	100.0
185.07689	0.3
258.10974	0.2
452.23822	0.7
504.73837	0.1
516.30603	0.3
534.32104	2.3
552.32983	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	552.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53129	0.1
55.05520	0.3
55.51839	0.1
56.05046	0.6
57.03457	0.2
58.06364	0.2
58.06629	0.5
59.07409	0.2
60.08170	6.3
62.82335	0.1
67.05506	0.4
69.03460	0.2
69.07065	0.2
70.06614	0.2
70.64710	0.4
71.07382	3.0
71.08618	0.3
75.76043	0.1
79.05502	0.3
81.07060	0.3
83.08623	0.2
85.02911	0.2
86.09714	31.4
87.10094	0.1
91.05508	0.2
97.06551	0.2
97.10175	0.2
98.98470	3.1
104.10754	5.0
107.08609	0.1
109.10152	0.3
121.10175	0.1
125.00017	20.5
143.01045	0.2
160.11279	0.2
163.01500	0.1
164.58005	0.1
184.07355	100.0
185.07703	0.4
229.07353	0.2
247.15005	0.1
258.08713	0.2
258.11169	0.3
270.39163	0.1
305.87210	0.1
353.47897	0.1
516.31152	0.3
534.31964	3.5
552.33160	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	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64410	0.1
53.46120	0.1
55.05481	0.1
56.05032	0.6
57.03435	0.2
58.06617	0.4
59.07383	0.2
60.08165	5.8
61.93563	0.1
67.05495	0.3
69.07065	0.1
70.01900	0.5
71.06989	0.2
71.07373	2.9
71.11745	0.1
72.89061	0.1
72.98315	0.1
77.03654	0.1
79.05513	0.2
81.07046	0.2
86.09706	30.1
87.93612	0.1
91.05485	0.1
91.08266	0.1
93.07068	0.1
95.04865	0.1
98.98470	3.0
104.10743	4.0
107.08551	0.1
117.88168	0.1
125.00005	21.3
143.01033	0.1
184.07339	100.0
185.07777	0.1
258.11072	0.2
345.12088	0.1
452.23911	1.3
480.38818	0.1
534.32056	1.4
552.32983	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	552.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.05030	1.0
57.05793	0.5
62.93353	0.4
67.05511	2.3
69.03432	1.2
69.07070	9.1
69.47946	1.9
69.48371	1.4
70.06599	11.1
72.08124	0.5
72.92169	0.5
75.05598	1.6
79.05480	1.9
81.07067	2.2
83.04948	0.6
83.06114	3.8
83.08610	0.8
84.08128	0.6
85.02917	3.1
86.02447	0.7
86.06071	3.8
86.09711	100.0
88.07635	37.8
91.05495	1.3
93.04525	2.0
93.07047	2.0
95.06084	2.5
95.08060	0.4
95.08594	2.2
97.02886	0.9
103.05492	0.7
104.07148	1.1
105.07040	2.8
106.07355	0.8
107.08604	1.5
109.02893	0.6
109.06547	0.5
109.10143	1.4
110.07173	58.7
114.05537	12.5
115.89626	0.5
119.08569	1.4
121.10143	1.2
123.07971	0.6
123.11684	0.5
127.03845	0.5
131.04936	0.7
133.06505	1.3
133.10144	1.5
135.11710	1.2
143.11807	10.0
147.11699	1.7
149.13271	0.7
156.07697	67.1
161.05975	2.9
162.06374	1.5
166.06166	1.7
171.07707	3.7
191.07056	1.2
192.07478	1.0
193.08672	0.5
198.14885	1.2
200.12799	0.6
209.15433	0.8
223.15593	0.7
231.17307	0.7
234.12520	0.5
238.15460	0.8
251.15007	2.6
256.16602	6.2
266.21173	1.0
269.16098	18.7
284.16083	19.6
318.24353	1.6
336.25363	7.1
354.26425	12.0
372.27487	7.1
382.24707	0.6
390.28540	19.9
397.24530	5.2
439.26547	0.9
534.29840	2.1
552.31458	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	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
56.29081	0.3
57.03434	0.3
57.07061	0.4
61.02919	0.5
65.03928	0.5
67.05514	1.8
69.03419	0.9
69.07066	6.0
69.71214	1.1
69.71627	0.6
69.97021	0.2
70.06590	4.9
71.04979	0.3
72.08154	0.4
73.02901	0.4
73.38058	0.2
79.05491	1.4
81.03413	0.6
81.07044	2.4
83.08615	1.5
84.08126	0.7
85.02901	3.2
85.06538	0.7
86.06057	0.7
86.09694	0.7
88.07630	12.9
91.05473	2.8
93.07039	2.3
95.04972	0.3
95.08604	4.7
97.02882	1.1
98.21493	0.4
105.07037	6.1
107.08598	2.6
109.02860	0.3
109.06564	0.3
109.10153	4.4
114.05522	1.0
114.19969	0.2
117.07020	0.5
119.08584	26.8
120.08067	0.7
121.10149	2.4
123.08001	0.5
123.11681	0.3
125.58894	0.3
127.03947	0.4
131.08586	1.2
133.10130	22.4
134.10863	0.3
135.11696	2.4
137.09641	1.6
145.04953	0.7
145.10094	1.7
147.11678	4.3
149.13268	0.7
151.14876	0.6
159.11684	0.5
160.12517	1.1
173.13264	1.1
175.14824	100.0
176.15193	0.4
177.16359	0.4
184.07489	0.3
184.13315	0.3
189.16383	0.4
193.15889	12.3
198.14857	0.4
201.33171	0.3
213.16434	0.3
245.52458	0.3
304.05341	0.4
318.24191	0.5
336.25345	3.0
354.26392	4.3
355.21338	0.3
372.27518	3.0
390.28522	6.6
448.78180	0.3
450.48758	0.4
500.96832	0.3
509.14371	0.4
509.86664	0.3
534.28235	0.3
552.20563	0.4
552.27667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01869	1.6
55.05510	1.7
56.96562	1.1
57.03434	3.2
57.07068	1.6
60.08160	2.6
61.02922	1.5
62.47278	0.7
67.05513	6.4
69.03436	19.7
69.07076	5.6
70.06583	0.9
71.05004	1.3
71.07370	1.4
71.54196	0.9
73.02916	1.0
79.05501	11.2
81.03415	6.5
81.07060	100.0
83.04986	3.0
83.08651	1.2
85.02911	22.0
86.09711	12.3
87.00835	9.3
87.04495	4.3
87.10038	1.9
91.05488	2.1
92.32676	0.6
93.07061	2.2
95.04961	1.2
95.08615	18.9
97.02896	22.2
97.06557	1.1
98.97594	0.8
98.98495	1.0
99.04453	4.3
103.03954	0.9
104.10759	2.4
105.01871	20.3
105.07030	1.0
107.08617	1.4
109.02896	6.2
109.10178	1.9
111.04478	1.8
115.03941	10.2
119.08595	1.5
121.10163	1.1
125.00026	7.5
126.00288	1.0
127.03925	19.7
129.01889	1.2
133.04973	4.8
133.10185	1.1
135.04478	0.9
135.11679	0.8
137.06075	0.7
137.13266	21.6
139.03949	1.7
145.04951	12.3
150.07611	5.1
151.03903	1.2
159.02921	2.7
163.03976	1.3
177.05499	1.9
179.14319	0.8
183.02948	0.7
184.07358	38.2
185.07700	5.9
186.07813	4.0
205.04948	1.5
213.04097	1.3
217.07207	1.0
223.06172	1.3
225.14896	1.3
231.05017	7.6
241.07082	4.0
249.06047	4.4
259.09824	1.0
269.21176	0.8
301.09427	1.2
309.06122	1.4
327.07111	5.6
331.23090	0.9
339.15823	0.8
345.08197	10.5
363.09381	2.5
374.15848	0.7
387.05185	0.9
433.51331	0.7
499.61432	0.8
516.31250	1.1
534.31500	2.0
552.24896	0.8
552.32922	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
53.22759	1.1
55.01861	3.2
57.03433	1.3
60.99553	1.0
67.05503	1.7
69.03423	4.0
70.06573	3.8
71.04983	2.1
71.52485	1.1
79.05490	11.3
79.71812	1.0
83.04990	2.4
85.02910	4.9
85.06541	1.6
86.09705	3.0
87.04453	1.6
88.07648	5.2
91.05471	4.5
93.07027	2.1
95.04951	2.6
95.08597	1.3
97.02885	2.1
99.04435	5.1
102.04659	1.3
103.05469	19.4
105.07034	75.5
107.04918	1.6
107.08562	3.0
109.02883	1.0
109.10153	2.3
110.07157	1.1
115.05456	15.2
118.04161	8.3
119.04956	2.6
119.08607	1.8
123.08096	1.7
127.03934	1.7
130.77725	0.9
131.04922	13.9
132.05719	1.3
133.02846	1.6
133.06500	60.7
133.10127	1.7
135.08063	1.5
137.05975	1.4
143.05022	1.1
143.06056	5.6
147.04395	5.6
148.05177	6.1
151.11101	1.2
161.05988	100.0
163.07545	11.7
179.06989	1.1
183.13728	1.9
191.07043	66.1
193.08617	44.3
215.95367	1.1
219.01665	1.1
227.16489	6.2
267.19333	1.8
285.20706	1.7
303.04901	4.2
353.25119	1.5
371.26385	1.5
496.22980	1.3
551.21094	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	551.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.05505	10.0
57.07069	8.2
58.09150	2.7
58.37475	3.4
61.94261	2.6
63.53236	2.6
65.03928	4.9
67.05501	22.7
69.07070	21.0
71.55131	3.1
74.71381	2.8
79.05502	21.4
80.48070	2.4
81.07056	42.4
83.08615	7.4
91.05492	32.5
93.07040	54.7
95.08613	38.5
98.55524	2.6
101.07129	2.7
103.05481	6.5
104.84132	3.5
105.07034	66.2
107.08595	54.0
108.11389	3.3
109.10165	42.3
115.05466	5.3
117.07048	17.2
119.08594	100.0
121.10155	44.3
123.08173	2.9
123.11689	9.5
126.60447	2.6
128.06171	6.2
129.07016	11.5
130.07803	9.2
131.08574	30.0
133.09190	2.0
133.10146	48.5
135.08157	2.8
135.11699	37.3
137.09634	3.9
141.07027	5.5
142.07787	13.8
143.08563	22.9
144.09373	7.3
145.10127	66.1
147.11687	18.5
147.54587	3.2
149.09593	4.6
149.13322	5.7
153.06865	3.0
155.08572	9.0
156.09366	8.5
157.10143	35.9
158.10866	4.6
159.11723	35.6
161.13203	15.8
167.08574	4.4
169.10150	15.7
169.11418	2.8
170.10846	4.1
171.11725	19.8
173.13284	19.9
175.14825	36.0
179.08556	6.1
180.09410	4.2
181.10126	10.7
182.10931	5.8
183.11714	16.3
185.13222	13.1
187.14833	13.1
189.16374	4.8
193.10121	6.9
193.15909	2.9
194.11008	3.5
195.11713	10.6
196.12512	6.4
197.13257	21.7
199.14833	7.3
201.16440	15.2
207.11836	6.0
208.12473	3.8
209.13254	15.9
211.14824	14.6
213.16425	4.4
219.17459	6.2
221.13229	5.7
223.14851	8.8
225.16393	7.9
227.17935	3.3
235.14844	6.9
237.16386	4.7
241.19591	5.4
251.18054	3.7
253.19653	5.8
257.18875	3.0
261.16486	5.3
265.19531	7.0
267.21106	4.6
279.21225	3.9
287.17935	3.6
303.20917	3.0
303.45566	2.8
533.41632	4.8
551.42340	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	551.1397
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01873	1.2
57.03434	4.9
59.04992	1.2
61.02932	1.3
67.05500	0.6
69.03436	19.6
69.18232	3.2
69.18657	2.4
70.06587	0.7
73.02921	5.3
78.16723	0.6
79.05476	0.6
81.03407	1.2
81.07047	0.6
83.01324	0.7
83.05012	0.7
85.02907	8.9
87.04472	7.8
89.61530	0.5
91.05506	1.1
93.07057	0.9
95.04958	0.8
97.02304	0.9
97.02897	16.1
99.04484	4.8
101.02355	0.9
103.03949	0.9
105.07027	0.6
107.08585	0.8
109.02898	0.8
111.00819	0.9
111.04467	1.4
115.03944	10.3
117.05518	1.4
119.08521	0.6
121.02886	3.3
127.03915	2.2
129.06920	0.7
133.02856	0.8
133.04982	11.2
133.10132	0.6
137.06006	0.9
139.03876	1.5
145.10175	0.9
147.04408	1.1
149.04404	1.4
151.03949	0.8
153.01859	2.9
157.04984	2.0
165.01845	1.4
165.05486	0.8
170.36624	0.5
183.02824	0.7
185.05907	0.7
211.05956	1.2
213.05431	1.0
213.31796	0.6
229.07132	2.5
247.08235	1.8
247.11433	0.5
287.05521	100.0
299.05493	3.8
311.05627	1.0
313.06967	1.4
325.07068	1.1
329.06570	3.1
329.96231	0.6
337.07153	1.6
340.45197	0.7
353.06506	3.5
365.06628	1.3
383.07806	5.7
401.08649	2.2
419.09714	7.1
555.21613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05029	0.5
58.06627	0.4
59.20393	0.1
60.08166	6.7
67.05496	0.2
69.03432	0.2
69.07068	0.5
69.87645	0.4
69.88056	0.3
71.07373	2.8
71.80709	0.1
75.14902	0.1
76.04002	0.6
79.05493	0.4
81.03442	0.1
81.07043	0.5
83.04970	0.2
83.08637	0.3
84.08141	0.2
85.02902	0.3
86.09709	32.0
88.97693	0.1
91.05470	0.3
93.07032	0.2
95.08619	0.3
95.62354	0.1
97.06535	0.4
97.10176	0.5
98.97805	0.2
98.98463	3.1
104.10754	3.6
105.07066	0.2
107.08584	0.3
109.10165	0.4
121.10136	0.2
125.00011	20.1
125.09628	0.2
127.03957	0.2
128.26166	0.1
143.01041	0.2
145.02826	0.2
163.03900	0.2
175.98563	0.2
184.07347	100.0
258.10968	0.3
267.19531	0.2
284.22226	1.0
309.01306	0.2
514.29102	0.2
532.22571	0.3
532.30414	4.2
550.31458	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
56.05036	0.7
58.06634	0.5
60.08167	6.8
67.05504	0.3
69.07095	0.2
69.38554	0.7
69.38992	0.6
69.85598	0.1
69.90535	0.2
71.07375	3.0
79.05512	0.2
81.07085	0.2
86.09711	30.8
93.07063	0.2
98.21588	0.3
98.98472	2.9
104.10748	4.2
125.00013	21.3
143.51276	0.2
184.07350	100.0
258.10901	0.3
370.78561	0.2
514.29089	0.3
518.27576	0.1
532.30396	2.8
550.31415	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	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05036	0.5
58.06615	0.2
58.74453	0.2
59.07399	0.3
60.08168	6.2
67.05511	0.3
69.07090	0.2
69.56406	0.2
71.07377	3.3
72.44798	0.1
75.83277	0.1
76.65767	0.1
79.05490	0.4
81.03394	0.1
81.07051	0.3
83.18396	0.2
84.29603	0.1
86.09710	29.4
90.40385	0.1
91.05491	0.4
96.74618	0.1
98.98473	3.5
104.10749	4.0
122.87180	0.1
125.00011	22.8
131.71954	0.1
132.24777	0.1
173.16623	0.2
174.93503	0.2
184.07350	100.0
211.10052	0.1
258.11069	0.2
339.19922	0.1
438.22687	0.2
452.23911	0.7
532.30231	1.7
550.31451	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	550.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08191	0.1
55.01892	0.1
55.05509	0.3
56.05041	0.8
56.08336	0.1
58.06304	0.2
58.06627	0.5
59.07388	0.1
60.08168	7.0
61.68256	0.1
67.05499	0.4
69.07070	0.2
69.76050	0.3
69.76465	0.2
70.06626	0.1
71.07378	3.3
71.08630	0.1
79.05486	0.2
80.97452	0.1
81.03419	0.3
81.07050	0.2
83.08614	0.1
86.09710	31.6
91.05514	0.1
93.07079	0.1
95.05029	0.1
95.08604	0.1
97.06491	0.1
98.20678	0.1
98.98474	3.5
98.99134	0.2
100.98827	0.1
104.10751	3.7
109.10216	0.1
125.00011	22.7
133.10039	0.1
143.01065	0.2
161.09436	0.1
184.07349	100.0
185.07704	0.6
186.07793	0.2
189.94177	0.1
229.07466	0.1
258.11102	0.3
293.21173	0.2
367.24451	0.1
401.65475	0.1
532.30377	1.1
550.31451	8.5
551.32019	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	551.1035
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03935	1.1
55.01859	1.2
55.05510	0.6
56.96560	0.6
57.03424	1.4
61.02916	1.3
67.05490	1.1
68.05029	0.5
68.99791	0.9
69.03088	0.5
69.03433	7.8
69.07063	0.8
69.45123	2.4
70.06586	2.0
71.04998	2.8
72.08172	0.4
73.02921	1.6
79.05486	1.2
79.40633	0.3
81.01109	0.3
81.02991	0.5
81.03423	5.8
81.07058	1.2
83.04978	0.9
84.08138	0.7
84.96038	0.3
85.02911	9.7
85.06542	0.5
86.06025	0.6
86.09708	1.0
87.00832	4.8
88.07626	0.4
91.03959	0.5
91.05489	0.7
93.07038	1.3
93.36455	0.4
95.04985	0.5
95.08606	1.0
97.02899	4.7
97.06534	1.5
98.97564	0.9
99.04469	2.3
101.06038	0.5
104.07104	6.0
105.01846	2.0
105.06982	0.9
107.04893	0.4
107.08619	0.6
109.02898	4.7
109.06520	0.4
109.10159	0.6
111.00810	1.0
111.04371	0.3
116.98634	0.4
117.01842	0.5
119.08611	0.5
120.08095	0.7
121.02857	0.9
121.10146	0.5
123.04362	0.3
127.03927	6.6
129.01801	0.6
129.05476	0.5
129.10222	0.5
131.00186	0.4
131.08588	0.4
133.10184	0.7
135.04395	0.5
136.07611	0.6
137.02342	3.3
137.06000	0.4
143.00214	0.4
145.04951	2.1
145.06601	0.5
145.07544	1.6
145.10109	0.4
147.02904	0.5
149.01244	0.5
153.01820	3.3
158.99690	0.6
159.02895	2.9
161.05966	0.5
161.09547	0.3
163.03949	1.2
165.01816	1.8
172.03949	1.3
173.02411	0.4
173.06007	0.5
177.00717	0.4
177.05455	0.8
183.02950	0.7
183.04358	0.3
195.02850	0.5
200.12895	0.4
201.05499	1.4
204.06554	2.1
207.13826	0.5
208.14140	0.6
215.07062	1.2
215.14113	0.4
229.05009	3.9
231.05043	2.1
235.10565	0.4
240.05383	0.3
247.06084	0.7
252.09474	0.4
257.04459	2.3
259.09668	0.4
267.09000	0.4
267.19662	0.9
274.04834	0.8
277.10645	0.6
285.03986	1.2
285.10266	0.4
285.20609	0.6
287.05484	1.7
303.05002	100.0
304.05115	0.6
305.10620	0.6
343.01187	0.5
352.24695	1.7
353.24811	0.4
357.14432	0.9
361.02396	1.8
370.25851	2.0
371.26227	1.0
388.26965	1.3
389.27264	0.7
465.17413	0.4
507.18256	1.0
541.56592	0.4
551.16809	2.2
551.24829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81544	0.1
55.05502	0.2
56.04787	0.1
56.05035	0.7
56.60052	0.1
58.06629	0.5
60.08170	6.1
60.81537	0.1
67.05502	0.3
70.64496	0.1
70.64847	0.4
71.07378	3.0
71.08624	0.2
79.05476	0.3
81.03419	0.3
81.07058	0.1
83.08646	0.1
83.30233	0.1
86.09711	32.2
94.04858	0.1
98.98470	3.3
104.10751	3.7
121.26243	0.1
125.00013	21.6
148.32968	0.1
184.07352	100.0
185.07724	0.2
206.41960	0.1
258.11072	0.2
293.21066	0.1
532.30420	1.3
550.31458	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23509	0.1
55.01875	0.2
55.05507	0.3
56.05034	0.5
56.96560	0.2
57.03438	0.2
58.06370	0.1
58.06621	0.4
60.08165	6.4
67.05503	0.4
69.07068	0.2
71.07370	2.8
71.08617	0.2
71.54883	0.1
79.05488	0.3
81.03388	0.2
81.07068	0.3
84.04568	0.1
85.02890	0.1
86.09706	30.6
91.05492	0.2
93.07045	0.4
95.04967	0.3
95.08620	0.2
97.06545	0.2
98.98467	2.8
104.10056	0.3
104.10741	4.8
105.07015	0.3
107.08619	0.1
109.10172	0.3
119.08590	0.3
125.00005	19.8
133.10098	0.2
135.11728	0.2
143.08624	0.2
145.10149	0.2
159.11751	0.1
184.07341	100.0
185.07806	0.2
189.11354	0.1
223.37643	0.1
258.11032	0.2
293.21246	0.2
458.28900	0.3
532.30475	1.5
550.31195	7.1
550.57147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05030	0.7
57.03433	0.1
58.06315	0.2
58.06627	0.4
59.07131	0.1
59.07412	0.2
60.08166	6.1
65.03942	0.1
67.05505	0.2
69.07063	0.1
70.06588	0.2
71.07376	3.0
71.08606	0.1
71.54456	0.1
71.54878	0.1
79.05499	0.3
80.97421	0.1
81.03436	0.1
81.07050	0.2
83.05001	0.1
86.09709	31.7
91.05476	0.1
93.07055	0.1
95.04931	0.1
95.08598	0.1
97.10177	0.1
98.98470	3.0
104.10747	3.9
105.07041	0.1
107.08600	0.1
107.79513	0.1
125.00010	21.7
129.05453	0.1
141.58365	0.1
143.01091	0.2
184.07347	100.0
185.07710	0.1
232.49153	0.1
258.11136	0.3
268.33414	0.1
293.21204	0.2
441.31030	0.1
532.30499	1.2
550.31427	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	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
56.96568	0.3
57.03419	0.3
58.06627	0.5
60.08167	7.5
61.18361	0.2
67.05505	0.6
67.29666	0.2
69.07069	0.3
71.07379	3.3
71.24883	0.4
71.25231	0.2
74.31541	0.2
79.05483	0.5
81.07039	0.6
86.09710	33.6
91.05503	0.5
93.07061	0.8
94.84174	0.2
95.08621	0.3
98.97597	0.6
98.98476	3.0
104.10751	4.1
105.07036	0.3
107.08602	0.5
109.10206	0.3
112.99143	0.3
116.98656	0.3
121.10137	0.3
125.00011	22.5
131.00156	0.4
131.08546	0.2
135.11766	0.3
145.10138	0.3
149.01254	0.3
158.99678	0.3
159.02634	0.2
184.07347	100.0
184.48988	0.2
259.20868	0.2
264.62921	0.3
267.45193	0.2
285.09787	0.2
285.12769	0.3
532.30139	1.2
550.31384	6.6
551.27832	0.6
569.25726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05037	0.6
56.96552	0.1
57.03422	0.1
57.70391	0.1
58.06625	0.5
59.07370	0.1
60.08165	6.6
60.38894	0.1
67.05507	0.5
69.03423	0.1
69.07063	0.4
69.38266	0.7
70.06596	0.2
71.07376	3.4
73.02917	0.1
74.93871	0.1
76.03986	0.2
79.05488	0.4
81.03427	0.2
81.07053	0.5
83.04966	0.2
85.02906	0.2
85.90749	0.1
86.09707	32.7
91.05466	0.2
93.07043	0.3
95.04945	0.2
95.08606	0.2
97.02880	0.1
97.06550	0.2
97.94447	0.1
98.20755	0.2
98.97554	0.1
98.98468	3.1
104.10051	0.2
104.10747	3.9
105.07025	0.2
107.08588	0.1
109.10119	0.2
119.08591	0.2
121.10136	0.2
123.11698	0.1
123.23699	0.1
125.00008	22.3
143.01056	0.2
145.10213	0.1
163.03918	0.1
166.02710	0.1
184.07343	100.0
185.07669	0.3
189.34724	0.1
194.58832	0.1
196.94926	0.1
258.11099	0.3
258.15756	0.1
270.14017	0.1
284.22220	0.4
383.09903	0.1
418.11923	0.2
438.22644	0.2
452.24170	0.4
514.29340	0.2
532.30292	1.5
550.13617	0.2
550.22919	0.2
550.31421	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01891	8.2
55.05518	12.1
56.96573	8.2
57.03424	5.8
61.09985	3.2
65.48100	3.6
67.05505	21.8
69.03432	22.8
69.07071	30.5
70.06579	8.5
70.61607	6.8
70.61983	7.8
71.05000	23.2
73.02897	3.8
77.03928	3.6
78.44827	3.2
79.05502	28.4
81.03416	16.3
81.07060	27.8
83.04980	61.7
85.02920	20.2
85.06543	7.2
86.09698	4.8
91.05477	25.8
93.07051	33.9
95.04971	32.3
95.08595	11.9
97.02895	8.5
97.06541	62.2
98.97598	10.8
99.04464	17.3
101.06032	7.9
103.05502	3.8
103.65891	3.7
105.07040	69.4
107.04945	10.2
107.08584	23.7
109.02914	4.8
109.06514	28.4
111.04484	5.8
113.05994	6.0
117.07025	14.9
119.04937	13.0
119.08599	20.5
121.06523	43.1
121.10151	13.4
123.04425	3.9
123.08051	6.5
125.06008	96.0
127.03892	8.4
127.07571	9.1
129.06973	4.5
130.07820	8.7
131.08572	31.2
133.06535	11.2
133.10138	13.6
135.08083	10.5
135.11699	7.3
137.05994	22.7
139.07547	4.4
143.07048	67.8
143.08560	10.1
144.09384	5.3
145.06522	9.9
145.10132	100.0
147.08041	7.6
147.11798	7.6
149.09584	4.6
151.07541	14.9
154.07774	6.0
155.08577	6.7
157.08659	7.2
157.10074	6.0
158.07274	12.0
158.97749	3.6
159.08069	10.3
159.11737	44.2
161.09644	4.2
163.03893	16.9
163.07484	5.7
163.11205	31.4
169.10141	18.5
171.08052	3.8
172.08896	5.5
173.09631	68.7
177.12755	15.6
179.08519	4.7
183.79689	4.0
184.07330	4.8
187.07532	3.7
187.11217	84.8
189.09125	3.8
189.12811	4.2
191.10660	34.2
191.14413	4.1
197.09663	9.7
205.12247	76.6
209.11745	28.1
215.10698	86.6
223.05977	9.5
223.13307	6.2
233.11726	78.6
251.12819	53.9
257.11789	4.4
258.05429	6.0
266.96091	3.5
269.13885	16.8
286.04672	18.3
290.46838	3.3
295.12973	3.5
301.07077	49.8
312.12967	3.7
355.08344	4.8
357.15771	5.5
377.15958	17.0
395.16995	19.6
399.11002	4.5
413.18005	25.0
507.11807	7.6
517.18329	3.8
549.23297	13.0
549.35138	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	549.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01868	3.8
55.05502	7.8
57.03437	2.9
66.98309	2.0
67.05507	15.6
69.03432	16.9
69.07072	22.8
69.20776	21.0
70.06579	9.9
70.58036	1.9
71.04989	11.3
73.02913	2.4
79.05499	20.6
81.03431	10.5
81.07053	22.6
83.04985	61.9
85.02892	9.5
85.06531	7.2
86.09695	8.7
87.10067	2.2
91.05480	16.4
93.07043	22.9
95.04984	21.4
95.08603	5.3
97.02889	8.4
97.06531	50.3
99.04462	13.8
101.05991	5.0
105.07034	61.5
107.04945	6.2
107.08593	17.5
109.02872	5.2
109.06521	19.0
111.08083	3.7
113.06013	4.5
115.05476	3.8
117.07037	14.0
119.04982	10.7
119.08574	14.1
120.96904	2.2
121.06512	32.6
121.10128	9.3
123.04405	4.6
125.05995	92.5
127.03929	5.2
127.07535	6.9
129.07001	5.4
130.07779	7.1
131.08572	19.4
133.06497	10.9
133.10146	8.1
135.04402	3.8
135.08022	4.8
135.11699	5.2
136.07657	2.2
137.05981	14.9
139.07568	5.3
141.06981	4.8
143.07037	63.3
143.08548	7.1
144.09343	5.9
145.06459	9.1
145.10127	100.0
147.08034	5.0
147.11642	4.9
149.05959	2.3
151.07571	19.8
154.07796	6.5
155.08537	4.7
157.08665	5.3
157.10138	3.9
158.07249	7.6
159.08049	9.8
159.11705	42.0
161.09644	3.0
163.07547	2.9
163.11159	27.0
169.10115	11.1
171.07971	3.3
172.08821	4.9
173.09624	71.4
175.07509	3.1
177.12758	18.0
183.11652	2.0
187.11188	70.6
189.12787	4.1
191.10681	32.5
197.09628	11.2
205.12236	77.0
209.11714	17.2
215.10681	82.6
223.13284	7.7
228.74014	2.2
229.12335	2.2
233.11736	79.7
251.12799	50.2
257.11694	4.0
267.12280	3.6
269.13885	17.2
275.12723	4.9
293.13843	2.3
319.27686	2.1
359.14972	5.3
377.15936	15.8
395.16989	11.1
403.63821	2.5
413.18048	22.4
505.16840	8.8
549.15558	21.9
549.24475	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	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09744	2.7
52.70065	3.3
53.03933	3.7
55.01860	9.2
55.05505	13.8
57.03447	4.4
65.03957	3.7
65.46224	3.5
67.05509	21.2
68.29150	3.0
69.03425	15.6
69.07082	19.2
70.06573	4.1
71.01342	3.1
71.04986	9.1
71.54066	3.5
73.02942	4.2
79.05492	26.9
81.03418	8.9
81.07055	34.6
83.04985	58.8
84.08137	7.8
85.02897	23.2
85.06542	8.7
86.09670	4.0
91.05470	21.5
93.07046	31.6
95.04984	34.8
95.08612	9.3
97.02269	2.9
97.02895	13.2
97.06538	39.3
99.04452	13.6
101.06023	20.0
102.90450	3.3
105.07039	61.9
107.04960	17.7
107.08619	24.3
109.02904	7.2
109.06516	30.7
111.04409	6.4
111.08102	4.6
113.05983	4.3
114.96571	3.4
117.07011	15.3
119.04961	7.3
119.08619	20.8
120.08123	3.2
121.06519	36.2
121.10142	8.0
122.06104	3.9
123.04440	6.8
125.05072	4.9
125.05991	72.4
127.03919	7.3
127.07555	10.4
128.06232	3.1
129.06958	6.1
130.07790	7.0
131.04976	5.1
131.08562	23.2
133.06543	14.8
133.10118	9.3
135.04472	4.4
135.08028	9.5
135.11713	7.7
137.06000	31.0
139.07524	5.9
141.06975	4.0
143.07057	64.2
143.08582	12.5
144.09398	4.5
145.06479	14.4
145.10133	100.0
147.07999	7.4
147.11694	5.9
151.07576	9.2
153.05510	3.6
154.07701	4.8
155.08543	5.5
157.08653	7.5
157.10097	3.4
158.07257	7.1
159.08076	13.2
159.11699	34.0
161.05980	3.5
161.09636	6.5
163.03836	3.7
163.11205	45.3
167.06981	4.0
169.10117	11.8
173.09642	65.5
175.07562	5.0
177.12744	11.2
179.08574	4.7
179.89879	3.4
181.12190	5.6
182.07249	3.9
187.11195	73.3
189.09061	4.1
189.12808	5.6
191.10669	42.1
197.09630	15.0
205.10445	5.7
205.12257	61.7
207.13773	7.6
209.11690	18.3
211.11343	3.6
215.10686	76.3
223.13428	3.7
227.12790	3.6
229.12476	3.5
233.11752	80.2
251.12799	69.1
257.11819	7.1
259.09619	3.2
267.12357	4.2
269.13840	20.0
275.12622	5.1
293.13852	4.6
307.09756	4.4
335.14890	4.2
355.07999	4.2
377.16394	15.9
395.16940	12.6
399.10651	8.9
405.20490	3.5
413.18240	24.3
460.84897	3.6
467.51370	3.5
505.16901	6.5
517.22632	3.7
549.15558	27.1
549.24927	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	549.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.5
55.01864	8.6
55.05494	14.4
60.60450	4.1
67.05515	38.8
69.03433	22.7
69.07081	27.8
69.31654	4.9
70.06578	7.8
71.04986	21.5
71.43053	9.7
72.08134	5.6
73.65981	4.4
73.91727	4.6
79.05502	33.1
79.72808	4.1
81.03434	23.3
81.07060	48.3
83.04500	6.1
83.04983	72.6
85.02895	21.4
85.06534	13.9
91.05492	28.4
93.07043	38.3
95.04970	46.0
95.08613	15.2
97.02902	10.6
97.06543	74.9
98.97555	5.3
99.04456	21.1
101.06001	18.9
105.07041	73.6
107.04949	9.3
107.08598	24.5
109.02863	9.8
109.06508	31.3
113.05943	6.2
117.07015	21.8
119.08603	33.0
121.06522	41.0
121.10150	15.6
123.04424	10.5
123.08030	8.4
125.05999	97.4
127.03902	14.2
127.07568	17.2
129.07002	13.5
130.07784	10.5
131.08559	30.5
133.06485	11.2
133.10144	9.3
135.08043	13.2
135.11702	14.3
137.05975	40.3
137.09624	6.3
139.07582	4.5
143.07045	68.9
143.08513	8.8
144.09349	8.2
145.06491	7.2
145.10120	100.0
147.07968	6.0
149.09636	8.8
151.07533	16.3
155.08542	9.4
157.08592	7.4
158.07272	11.0
159.08052	14.6
159.11714	40.6
160.66319	6.0
163.07559	7.2
163.11200	56.1
169.10127	18.1
173.09636	76.0
177.12782	13.8
187.11182	96.2
189.12718	6.6
191.10664	42.8
197.09575	11.1
205.12230	83.6
209.11769	39.9
215.10675	91.5
229.12184	7.6
233.11725	89.0
235.09605	5.5
251.12796	86.3
257.11835	9.7
267.12518	7.7
269.13733	23.3
275.12674	7.9
278.38351	5.4
317.13934	6.0
359.14609	7.5
377.15997	32.5
395.16980	25.4
399.10760	6.9
413.18027	49.7
517.22321	15.7
549.25165	35.0
563.46204	6.1
577.95087	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	548.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00865	0.1
55.05500	0.1
56.05037	0.6
56.96572	0.1
58.06633	0.6
60.08167	6.7
62.43067	0.1
67.05491	0.6
69.07072	0.2
69.80375	0.7
70.06580	0.2
71.07380	3.5
79.05473	0.3
81.07054	0.4
83.04993	0.2
85.02876	0.1
86.09708	33.1
91.05498	0.5
93.07055	0.4
95.04955	0.2
95.08632	0.2
97.06529	0.4
98.98470	3.1
104.10746	3.5
105.07063	0.2
109.10146	0.3
117.35566	0.2
118.37460	0.1
125.00008	22.1
129.05350	0.1
133.10152	0.3
184.07347	100.0
223.24144	0.1
239.63324	0.1
258.11032	0.3
281.10080	0.1
356.15732	0.4
377.28534	0.2
486.32474	0.1
526.57965	0.1
530.28760	1.2
548.21497	0.3
548.29871	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73113	1.5
53.03936	3.1
55.01863	1.9
55.05510	13.6
57.03433	14.8
57.07070	2.6
61.02924	4.4
65.03930	2.1
67.05511	35.8
69.03432	3.1
69.07064	14.1
69.51025	11.0
71.04992	3.7
73.02908	1.5
79.05492	37.9
81.03405	3.3
81.06586	2.9
81.07057	41.6
83.04974	3.7
83.08630	9.7
85.02915	7.2
85.06533	3.3
91.03960	2.1
91.05486	31.2
91.69566	1.4
93.07043	47.4
95.04968	3.3
95.08608	36.7
97.02890	4.0
97.06528	6.5
97.10174	2.8
97.46278	1.3
98.21527	2.7
99.08099	4.6
105.07034	32.4
107.08598	32.0
109.06514	5.1
109.10160	16.7
111.08086	2.9
113.81423	1.6
117.07001	8.9
119.08578	27.8
121.10161	26.8
123.08058	2.6
123.11712	4.9
125.09631	1.9
127.00332	1.7
129.06981	4.0
131.08571	15.4
133.10130	19.1
135.11690	22.0
137.09650	3.6
143.08588	5.5
145.10130	14.1
147.11685	17.5
149.13263	13.3
151.11118	2.2
157.10071	5.2
159.11697	17.6
161.13304	11.2
163.11209	1.5
163.14752	1.9
171.11716	4.6
173.11835	1.8
173.13274	5.8
175.14845	4.1
177.12784	4.7
184.07309	2.5
185.13348	4.5
187.14871	8.4
189.12781	1.8
195.00325	2.0
195.13794	2.3
199.14922	3.7
201.16389	5.8
205.15929	5.2
213.16422	2.1
219.17514	4.5
221.18973	1.6
229.14372	2.0
231.21034	1.9
241.19527	16.2
259.20605	28.5
269.17477	4.7
277.21628	26.3
293.21112	1.7
302.35217	2.4
333.24200	4.3
351.25290	100.0
369.26431	2.4
381.53421	2.1
407.30518	2.5
513.30524	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	548.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77647	0.1
55.01878	0.1
55.05504	0.3
55.79000	0.1
56.05041	0.6
58.06632	0.5
59.07389	0.2
60.08163	6.4
64.61030	0.1
67.05502	0.5
69.07062	0.3
70.06585	0.1
71.07374	3.0
71.54326	0.1
79.05489	0.3
81.03412	0.2
81.07050	0.3
83.04982	0.1
83.08617	0.1
86.09706	31.3
91.05479	0.2
93.07037	0.3
95.04963	0.2
95.08585	0.2
97.02889	0.1
97.06536	0.7
97.10160	0.2
98.06876	0.2
98.98464	3.2
104.10746	3.8
105.07039	0.2
107.04885	0.1
107.08602	0.1
107.52086	0.1
109.10110	0.1
119.08582	0.1
125.00005	22.3
129.06976	0.1
143.01080	0.1
166.02550	0.1
184.07339	100.0
184.56056	0.1
185.07629	0.1
193.12151	0.1
196.08411	0.1
211.15405	0.1
213.08945	0.1
258.10995	0.2
351.21844	0.1
355.15433	0.2
356.15781	0.3
420.61011	0.1
530.28705	1.2
548.22766	0.3
548.29865	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	548.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
56.05027	0.6
57.03443	0.2
58.06603	0.3
59.07376	0.2
60.08167	6.2
61.73459	0.2
64.35329	0.2
67.05497	0.6
70.06615	0.2
71.07374	3.3
71.53377	0.2
79.05489	0.4
81.07065	0.2
83.05003	0.3
83.20585	0.2
84.08147	0.2
85.02900	0.2
85.06540	0.2
85.21794	0.2
86.09709	31.9
86.61900	0.2
86.70336	0.2
91.05444	0.2
93.07014	0.2
95.04961	0.4
97.06532	1.3
98.06874	0.3
98.98463	3.1
104.10744	4.2
107.04967	0.2
113.06008	0.3
120.43653	0.2
121.10161	0.2
121.42364	0.2
125.00008	20.8
127.03999	0.2
165.90302	0.2
184.07347	100.0
185.07629	0.2
258.11063	0.3
312.13052	0.2
319.08649	0.2
355.15500	0.3
356.15771	0.5
530.28906	1.5
548.22705	0.5
548.29865	9.8
549.13947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
55.05515	0.4
56.05042	0.7
57.03428	0.1
58.06630	0.5
59.07388	0.2
60.08166	6.7
67.05500	0.3
69.07062	0.4
70.11519	0.2
71.07375	3.3
79.05482	0.3
81.03419	0.1
81.07049	0.1
82.62162	0.1
83.04970	0.1
86.09708	32.6
91.05482	0.1
93.07040	0.1
95.04964	0.2
97.06551	0.5
97.10149	0.1
97.45821	0.1
98.06847	0.1
98.20757	0.1
98.97801	0.1
98.98466	3.2
104.10748	4.3
107.08595	0.1
109.10178	0.1
122.19747	0.1
125.00007	23.2
142.07841	0.1
143.01044	0.1
159.51631	0.1
166.02705	0.1
184.07341	100.0
185.07790	0.1
258.11026	0.3
291.19376	0.2
311.12576	0.1
312.13104	0.1
355.15482	0.1
356.15649	0.3
426.51657	0.1
442.28186	0.1
530.28662	1.0
548.29834	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	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.5
56.15149	1.2
57.03436	4.6
57.07067	1.8
67.05502	10.6
67.84064	1.3
69.07064	7.2
71.08622	3.4
71.55021	1.7
79.05497	5.8
81.03407	2.9
81.07050	14.7
83.04979	2.7
83.08620	4.6
85.02886	1.4
85.06506	1.2
86.09715	2.5
91.05483	4.8
93.07037	10.0
95.04958	2.0
95.08614	7.5
97.06526	1.6
97.10146	1.8
98.98475	3.1
99.08077	2.5
105.07022	9.5
107.08607	8.4
109.06525	6.1
109.10150	4.0
117.07056	2.1
119.08590	10.3
119.57819	1.3
121.10180	4.2
123.08071	12.2
123.11734	2.1
131.08585	4.0
133.10150	7.5
135.08069	5.3
135.11674	1.8
145.10150	2.7
147.11639	6.2
149.13258	1.8
159.11755	3.1
167.14400	2.1
173.13353	1.8
175.14845	5.4
175.58765	1.6
177.12823	1.7
179.14339	21.9
193.15915	1.7
216.06323	1.8
267.15997	4.3
269.17551	4.0
289.21637	4.8
293.21124	3.1
303.27090	1.8
319.22528	1.9
331.26385	10.5
347.25897	1.7
348.98627	1.3
349.23569	2.1
349.27350	5.3
361.27185	1.6
363.98123	1.3
374.30576	2.2
375.29141	1.7
387.28967	4.4
405.29993	100.0
461.29001	6.0
503.27734	6.4
546.31573	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01868	1.7
55.05513	4.6
57.03445	4.5
57.07072	1.3
62.06086	1.1
65.25155	0.6
67.05508	7.1
69.07066	6.7
71.04997	1.0
71.08630	5.1
71.53545	0.8
75.13615	0.6
79.05502	5.4
80.98626	0.6
81.03426	1.4
81.07065	12.1
83.04984	2.5
83.08625	4.4
84.48657	0.6
85.06559	1.3
91.05478	3.8
93.07053	7.1
95.05016	1.3
95.08054	1.0
95.08609	9.6
95.20118	0.5
97.06528	2.5
97.10180	1.1
98.98481	2.7
99.08110	1.8
100.05286	0.6
105.07035	6.3
107.08613	7.1
109.06516	6.3
109.10194	3.5
111.04476	0.8
111.08094	1.9
117.07027	1.7
119.08602	8.1
120.39611	0.6
121.10124	4.3
123.08080	12.9
123.11720	2.0
125.09650	1.3
127.70310	0.7
131.08598	1.9
133.10132	6.5
135.08072	6.4
135.11687	1.9
137.09653	1.2
137.13268	0.7
143.08598	0.7
145.10130	3.6
147.08171	0.7
147.11707	6.2
149.09642	2.2
149.13274	2.7
151.11113	0.8
151.14833	0.7
157.10161	2.0
159.11703	2.3
161.09607	1.5
161.13268	1.9
163.11153	0.7
165.12798	1.7
167.14307	1.1
171.11690	0.7
173.13251	1.5
175.14841	6.1
177.12720	3.2
177.16364	0.7
177.70520	0.6
179.14323	21.5
185.13309	0.8
193.12244	1.1
193.15894	1.6
202.63348	0.6
205.15877	3.7
216.06345	1.5
263.20108	1.1
269.17435	1.4
275.20148	1.9
279.03754	0.7
289.21689	6.7
289.24820	1.0
293.21191	2.0
303.26849	1.9
319.22675	1.2
331.26349	11.6
337.23560	1.4
347.25983	0.9
349.23633	1.0
349.27402	6.0
357.28369	0.8
361.27457	1.0
369.28033	0.9
374.30551	1.9
375.28839	1.5
381.69647	0.7
387.28946	4.9
405.30023	100.0
406.29871	0.9
461.29007	1.7
485.26495	1.1
503.27731	5.9
528.30963	1.0
546.32184	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	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05516	4.7
56.96551	0.8
57.03445	3.6
57.07069	1.3
62.06055	0.6
63.72588	0.4
67.05184	0.6
67.05508	7.3
69.07071	6.8
70.32713	1.4
71.04988	1.0
71.08638	4.7
79.05494	4.4
81.06591	0.7
81.07058	11.1
83.04961	0.9
83.08617	2.5
83.09041	0.5
85.06557	1.2
85.57003	0.4
86.51998	0.4
91.05486	3.6
93.07040	6.7
95.04973	1.0
95.08612	8.2
97.06533	1.9
97.10165	1.6
98.98473	2.8
99.08092	2.0
105.07036	6.1
107.08595	8.0
109.06522	6.9
109.10165	3.1
111.08063	1.4
111.97706	0.4
117.07030	1.2
119.08578	8.0
121.06519	0.6
121.10139	5.2
122.07351	0.4
123.08073	14.8
123.11709	1.6
125.09627	1.1
131.08575	2.2
133.10124	8.1
135.08061	6.4
135.11665	2.2
136.93091	1.6
137.09570	0.8
143.08574	0.9
145.10117	3.0
147.11682	4.2
149.09666	1.9
149.13246	2.8
151.11174	0.6
154.94170	3.0
157.10167	0.8
159.11649	2.1
161.09595	1.1
161.13280	1.8
163.11154	1.0
163.14763	0.8
165.09106	0.5
165.12796	1.3
167.14334	1.1
171.11659	0.5
172.95230	3.0
173.13277	1.2
175.14851	5.4
177.12756	3.0
177.16397	1.1
179.14317	20.8
183.11749	0.6
185.13275	0.4
187.14885	0.6
189.16344	0.5
191.14349	0.7
193.12268	0.8
193.15932	1.2
193.25549	0.4
197.13226	0.4
198.05313	0.9
203.14398	0.6
205.15883	3.5
210.96918	0.6
216.06343	1.7
228.97858	1.3
229.15813	0.5
231.15880	0.7
233.18967	0.5
261.22110	1.0
263.20102	1.2
271.20761	0.4
275.20047	0.5
289.21649	6.4
293.21155	1.9
303.26849	1.4
313.25439	0.4
317.17944	0.7
318.18210	2.7
319.22665	1.3
331.26321	11.5
336.19110	0.6
337.23746	1.2
347.25821	1.2
349.23593	0.7
349.27393	5.8
357.27911	0.8
361.27115	0.9
369.28088	1.0
374.30576	1.5
375.28918	1.5
387.29016	5.6
405.30005	100.0
406.30499	0.9
407.31717	0.5
423.31302	0.6
437.51074	0.5
453.17557	0.5
454.17435	1.8
471.18423	0.5
472.18823	2.0
485.26538	1.2
490.18893	0.5
495.20157	0.6
503.27606	5.1
528.30603	0.8
546.22205	2.5
546.31818	2.3
546.39014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01887	1.4
55.05507	5.2
56.96534	0.8
57.03438	4.6
57.07061	0.8
59.87347	0.7
67.05188	0.8
67.05510	8.5
69.03421	1.9
69.07070	6.2
69.63431	4.2
71.04985	1.2
71.08649	3.4
75.05290	0.6
76.16603	0.7
79.05489	5.7
81.03396	2.9
81.07059	11.9
83.04969	2.4
83.08609	3.0
85.06541	1.8
86.09720	1.1
91.05487	5.3
91.28735	0.7
93.07048	7.8
95.04957	2.6
95.08613	10.3
97.02873	0.8
97.06520	2.8
97.10167	2.0
98.98458	2.1
99.08079	2.3
105.07043	6.7
107.04962	1.0
107.08602	6.2
109.06528	5.3
109.10157	4.2
111.08074	2.2
117.07042	0.9
119.08579	8.2
121.06493	0.9
121.10150	5.0
122.07188	0.7
123.08078	12.0
123.11670	1.2
125.09605	2.4
129.05469	1.3
129.06985	1.3
131.08539	2.8
133.10135	7.2
135.08070	7.8
135.11685	1.7
137.09639	2.2
142.07841	0.6
143.08560	0.9
145.10162	3.2
147.08078	0.8
147.11707	4.4
149.09621	1.8
149.13242	2.0
150.09116	0.8
157.08714	0.8
157.10143	1.2
159.11719	1.5
161.09636	1.2
161.13301	1.0
163.11252	0.8
165.12756	1.8
167.14346	1.9
173.02016	0.9
173.13231	0.9
175.11398	1.0
175.14836	6.7
177.12755	2.9
177.16455	1.1
179.14326	19.4
184.07425	1.5
185.13249	0.8
193.12320	2.6
193.15866	0.9
205.15839	4.0
211.13353	2.8
216.06384	1.1
221.15454	0.9
227.12878	0.9
263.20050	1.5
275.20056	1.6
285.17004	2.1
289.21649	6.2
293.21115	1.6
301.16522	2.4
303.26730	1.5
319.22617	1.2
325.57007	0.7
331.26318	10.1
337.23688	1.0
349.23697	3.0
349.27454	4.2
357.27957	1.1
361.27386	1.0
369.27744	1.3
370.88708	0.7
374.30566	1.1
375.28879	2.1
387.29001	4.8
405.30020	100.0
406.30362	1.2
503.27698	5.1
511.28732	1.3
528.30890	1.0
546.31860	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01865	6.0
55.05515	26.8
57.03440	9.2
57.07079	3.2
59.04993	1.7
65.03949	2.5
67.05509	51.9
67.42106	1.3
69.03419	4.4
69.07075	14.0
70.48156	3.1
71.04987	2.5
71.08633	1.3
72.46358	1.4
77.06738	1.4
79.05070	2.4
79.05502	34.7
81.03426	21.5
81.07058	49.9
83.04994	6.9
83.08615	16.7
85.06538	2.4
91.05490	30.3
93.07051	31.7
95.04977	16.7
95.08611	37.7
97.06522	4.3
97.10162	17.0
105.07033	25.4
107.04972	7.4
107.08605	26.2
109.06532	5.1
109.10175	19.4
111.08085	3.9
115.05432	1.8
117.07015	11.8
119.08591	23.3
121.06511	7.0
121.10152	16.2
123.08070	3.5
123.11706	7.5
125.09641	15.2
128.06267	2.0
129.07014	7.3
130.79140	1.3
131.08583	18.0
133.06482	1.7
133.10144	17.8
135.08080	6.2
135.11699	9.4
137.09608	4.6
143.08640	7.3
145.10130	14.8
145.42763	1.2
147.08073	3.6
147.11693	12.0
149.09592	2.1
149.13264	7.9
151.11205	1.7
153.09161	1.6
153.12790	1.4
155.08504	2.9
157.10156	9.4
159.08084	1.8
159.11711	12.6
161.09573	1.9
161.13287	6.9
163.11177	4.5
163.14873	2.4
167.08556	1.5
169.10127	3.1
171.10204	2.0
171.11719	6.0
173.09641	1.7
173.13289	7.7
175.11211	3.7
175.14865	4.6
177.12660	2.5
181.10155	1.9
183.11726	5.2
185.13239	5.6
187.14738	6.9
189.11252	7.4
189.12772	2.0
193.12254	8.9
197.13364	2.9
199.14825	3.6
201.16428	1.9
211.14900	1.9
225.16418	1.5
227.12793	11.2
233.15343	2.4
237.16301	1.4
243.21164	2.5
247.17036	2.5
252.76111	1.5
260.97025	1.4
261.22171	13.7
267.15924	24.2
267.21048	1.8
279.23236	2.4
285.22202	4.3
287.20154	1.7
299.23755	1.6
301.25266	15.1
303.23273	2.5
317.24753	4.0
329.21027	1.9
335.25815	18.6
403.24695	1.8
421.26001	3.5
435.27264	3.2
435.32800	4.9
437.16537	1.5
453.33884	12.0
461.29755	1.5
471.34827	9.6
509.36218	2.0
527.37341	59.4
545.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01875	2.9
55.05515	20.2
56.96546	0.7
57.03443	8.0
57.07068	1.9
57.99724	0.5
59.05012	0.9
65.03944	2.3
67.05511	47.5
69.03426	2.7
69.07074	11.7
71.04993	4.0
77.03902	0.6
79.05499	46.1
81.02928	0.9
81.03423	31.2
81.07061	44.2
83.04993	8.1
83.08626	16.3
85.02913	13.1
85.06544	2.2
91.05487	36.8
93.07050	38.6
95.04971	16.1
95.08615	26.1
97.02896	1.2
97.06551	3.5
97.10178	5.9
99.08105	1.4
105.04537	1.2
105.07037	23.3
107.04959	3.5
107.08604	21.5
109.06516	2.9
109.10164	10.1
111.04456	1.4
111.08087	6.3
113.06013	1.0
113.36508	0.7
115.05495	1.5
117.07042	7.2
119.08588	18.8
121.06560	1.6
121.10157	17.3
123.08081	2.6
123.11726	3.8
125.09647	4.3
129.07018	7.1
131.08589	14.2
133.06508	2.4
133.10135	12.3
135.08066	0.9
135.11697	8.0
137.09663	1.4
137.13345	0.7
142.07788	2.0
143.08594	2.5
145.06473	0.8
145.10120	7.9
147.08072	2.1
147.11697	11.7
149.09595	3.8
149.13269	3.5
151.11145	0.8
154.94214	1.0
155.08580	2.5
157.10141	8.4
159.11725	4.8
161.13315	3.4
163.11205	1.2
163.14848	0.9
165.12807	1.4
169.10204	1.4
171.11673	1.5
172.95323	0.7
173.13255	4.1
175.11223	7.4
175.14841	1.4
183.11736	1.3
185.13327	2.2
187.14841	2.0
189.11209	1.5
191.14421	0.7
193.10469	0.9
193.12248	28.0
197.13284	0.8
199.14894	1.1
201.16354	1.1
211.13300	32.8
225.52574	0.7
227.12857	2.2
243.15958	0.8
243.21098	1.3
261.22165	5.2
266.52579	0.6
267.15881	6.2
285.17184	0.8
285.22104	1.2
301.25217	3.8
317.24863	1.0
333.24487	0.8
335.25797	4.8
359.26141	0.7
435.32489	3.1
437.34360	0.7
453.33798	4.2
471.18509	1.1
471.34656	1.9
509.36371	0.7
527.31396	0.4
527.37396	17.6
545.38409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
55.01870	4.2
55.05274	1.9
55.05517	23.2
57.03442	7.5
57.07084	1.8
59.04997	1.3
65.03936	1.9
65.56364	1.2
67.05510	55.2
69.03432	3.3
69.07073	12.3
71.04990	2.9
71.28731	1.8
77.03900	1.1
79.05497	34.4
81.03430	21.0
81.07063	47.6
83.04982	3.7
83.08627	13.7
83.11185	1.2
85.02914	1.7
85.06533	2.1
87.81753	0.9
91.05490	27.0
91.06034	2.2
91.56178	1.2
93.07051	32.9
95.04972	16.2
95.08614	31.4
97.06535	4.0
97.10181	17.7
97.29587	1.3
105.04507	1.2
105.07038	25.0
105.97567	1.0
107.04969	6.7
107.08596	19.9
108.92408	0.9
109.06525	4.8
109.10167	23.1
111.04485	1.5
111.08091	3.6
115.05454	1.5
116.06207	1.1
117.07021	9.8
117.23164	1.1
119.08579	20.1
121.06550	5.5
121.10151	16.0
123.08089	4.5
123.11707	6.9
125.09637	11.7
128.06235	2.0
129.06996	9.1
131.08575	18.5
133.06595	2.5
133.10149	13.5
135.08070	4.5
135.11716	9.3
137.09648	2.4
137.13251	1.3
141.07016	2.5
142.07813	1.7
143.08600	6.5
145.06465	1.6
145.10133	13.6
147.08061	2.9
147.11719	11.0
149.09659	3.4
149.13257	5.4
151.61864	1.0
155.08595	2.8
157.10161	8.2
159.08096	1.5
159.11691	10.3
161.09683	2.4
161.13266	6.4
163.11179	2.6
163.14857	1.5
165.12825	2.0
169.10175	3.3
171.10310	1.3
171.11720	4.4
173.13249	8.0
175.11215	3.5
175.14825	3.4
177.12804	1.2
181.10080	1.5
183.11671	2.3
185.13330	3.3
187.11110	1.9
187.13370	1.4
187.14864	3.7
189.11206	8.0
193.12236	9.6
195.11775	1.5
195.13724	1.0
197.13365	3.4
199.14867	2.0
201.16446	3.8
205.16022	1.2
209.13312	1.5
211.13277	3.7
211.15053	1.5
213.16400	1.4
227.12825	9.9
233.15396	2.6
235.17044	1.4
243.21184	3.2
245.18843	1.3
247.17010	1.4
249.14865	1.6
261.18735	1.6
261.19168	1.8
261.22113	13.1
267.15909	24.9
275.19907	1.2
279.19760	2.1
279.23264	1.5
283.24445	1.5
285.22281	2.3
287.20114	2.8
299.23712	2.8
301.25269	17.0
303.23151	1.6
311.23792	1.6
315.23331	1.3
316.04962	1.1
317.24823	2.7
333.24429	1.2
335.25854	19.4
341.24802	1.5
343.22986	1.2
359.25851	2.0
401.05905	1.0
403.24762	1.9
417.26279	1.3
421.25879	2.9
430.55502	1.3
435.27557	2.6
435.32779	6.3
453.33609	11.0
471.34897	9.1
502.09354	1.2
509.36142	2.8
527.29047	1.5
527.37354	57.5
545.38428	100.0
546.38464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.6
50.88366	0.5
51.02392	0.9
53.03949	3.9
55.01878	2.1
55.05515	17.5
56.52407	0.6
57.03442	6.4
57.07074	1.8
59.04990	0.5
65.03954	3.0
67.05510	45.2
69.03422	2.4
69.07076	11.0
71.05000	4.2
71.08630	0.6
71.54977	0.8
77.03917	1.1
79.05499	41.8
81.02935	1.0
81.03423	30.2
81.07063	39.7
83.04987	6.8
83.08622	14.9
85.02911	15.2
85.06553	2.0
91.05487	33.5
93.07052	40.5
95.04975	14.5
95.08613	25.2
97.02899	1.9
97.06541	3.1
97.10176	5.9
99.08147	0.9
103.05475	0.7
105.04540	1.9
105.07039	24.6
105.92355	0.5
107.04978	3.3
107.08599	20.0
109.06505	3.1
109.10165	8.7
111.04455	1.1
111.08099	6.6
113.06000	2.0
115.05466	1.4
117.07030	6.7
119.08590	19.1
121.06519	2.1
121.10151	17.6
123.08102	2.8
123.11714	3.2
125.09645	3.3
128.06223	0.9
129.07019	7.2
131.08577	14.9
131.09543	0.9
133.06525	1.5
133.10143	11.0
135.08063	0.9
135.11694	8.0
137.09657	1.3
137.13191	0.6
138.83981	0.5
141.07031	0.7
142.07823	1.3
143.08551	2.3
144.97176	0.5
145.10133	7.2
147.08078	1.9
147.11700	11.7
149.09651	3.2
149.13287	3.4
151.11261	0.7
153.12778	0.7
155.08522	1.2
156.09477	0.7
157.10141	8.1
159.11719	5.0
161.09633	0.8
161.13301	3.3
163.11229	0.9
163.14873	1.4
165.12776	1.5
169.10124	1.5
171.11691	2.2
173.13258	4.0
175.11194	7.5
175.14838	2.5
179.14284	0.6
183.11729	0.9
185.13373	1.4
187.14848	1.9
189.11282	2.0
193.12257	28.2
195.11719	0.9
197.13210	0.8
199.14879	1.4
211.13297	30.8
227.12802	1.6
243.21123	1.1
249.14880	0.8
261.22144	4.6
267.15988	5.9
285.17023	1.1
285.22238	0.7
299.23721	0.7
301.25296	3.5
317.24850	1.5
335.25903	3.8
341.24954	0.9
359.25681	1.1
368.35217	0.6
416.34232	0.5
417.31631	0.6
435.27536	0.6
435.32895	2.0
453.33655	3.7
471.34695	2.4
509.36319	1.5
527.37433	15.0
545.38428	100.0
546.38409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01868	3.8
55.05515	21.8
56.96550	1.1
57.03441	6.6
57.07078	2.9
65.03941	2.2
67.05511	46.9
69.03436	4.7
69.07069	12.4
70.73038	2.2
70.73347	1.3
71.04990	3.4
79.05497	36.6
81.03424	25.6
81.07059	44.1
83.04987	4.5
83.08626	13.7
85.02910	4.9
85.06542	3.2
90.66060	1.1
91.05489	26.7
93.06484	2.1
93.07052	34.8
95.04972	17.6
95.07995	1.8
95.08616	32.2
97.02877	1.3
97.06526	4.9
97.10162	13.1
105.04506	1.7
105.07038	23.2
107.04960	5.2
107.08602	19.9
109.06540	3.7
109.10159	17.7
111.08092	4.6
111.56395	1.1
117.07033	9.5
119.04949	1.2
119.08595	20.6
121.06516	4.5
121.10149	14.9
123.08102	4.0
123.11700	5.5
125.09653	10.5
128.06218	1.1
129.07024	7.1
131.08562	16.0
133.06538	1.7
133.10159	13.3
135.08063	3.4
135.11674	9.4
137.09616	2.3
137.13313	1.8
141.06979	2.0
142.00130	1.0
142.07825	1.3
143.08615	5.0
145.06508	1.6
145.10147	12.6
147.08015	2.8
147.11707	11.9
149.09683	2.9
149.13306	5.0
153.09172	1.7
154.94165	1.8
155.08624	2.3
157.10144	9.5
159.08049	1.3
159.11740	7.9
161.09613	2.0
161.13275	5.0
163.11188	2.8
163.14838	2.0
168.90826	1.1
168.97264	1.0
169.10155	1.5
171.11737	5.0
172.95294	1.2
173.11977	1.4
173.13263	6.5
175.11214	5.6
175.14844	4.2
183.11795	3.2
185.13332	4.4
187.14828	2.4
189.11243	6.2
189.16394	1.3
191.14430	1.1
193.12248	13.4
195.11719	1.2
195.44533	1.1
197.13318	2.5
199.11108	1.3
199.14836	1.5
211.13252	7.5
211.15005	1.8
213.16534	2.0
217.12296	1.1
221.13428	1.2
225.16312	1.7
227.12831	7.6
228.98126	1.3
233.15367	1.4
237.16635	1.3
243.21075	2.6
247.16916	1.3
261.22110	9.1
267.15915	17.6
267.20972	1.3
279.23264	1.5
285.22125	2.7
299.23715	1.8
301.22128	2.0
301.25302	10.9
303.23517	1.6
313.13708	1.3
335.25797	14.2
341.24716	1.2
403.24872	2.2
421.25851	3.5
435.27545	1.6
435.32684	6.0
449.28986	1.5
453.33664	9.1
471.34860	7.8
508.01553	1.1
527.37329	45.5
545.38446	100.0
546.38245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
55.01628	0.9
55.01866	6.0
55.05518	7.7
57.03445	21.0
61.02647	1.2
61.02929	12.9
67.05183	1.4
67.05511	20.6
67.66722	1.0
69.03433	9.2
69.07072	21.1
70.06590	1.7
71.01340	1.7
71.04996	43.0
71.37347	1.0
71.54405	1.9
73.02916	9.8
77.03915	1.1
78.86332	1.2
79.05070	1.7
79.05499	25.6
81.03421	12.7
81.07066	26.3
83.04990	7.5
83.08618	3.3
85.02911	45.8
85.06542	2.7
86.09740	1.4
87.04458	1.1
91.03964	6.2
91.05492	14.7
93.07055	20.7
95.04981	10.4
95.08604	13.8
97.02899	10.4
97.06537	23.8
97.10163	1.5
98.97607	1.2
99.04424	3.1
99.08097	10.7
100.11266	1.3
101.02364	1.8
103.03925	1.1
105.07030	13.0
107.04964	11.1
107.08586	10.0
109.02867	3.1
109.06519	22.5
109.10122	5.7
111.04445	4.0
111.08080	3.9
113.05999	2.1
115.03880	1.2
115.05457	1.8
115.07572	17.7
117.07037	7.8
119.08592	9.9
121.06546	5.6
121.10144	5.6
123.04456	1.9
123.08054	4.0
127.03966	4.9
127.07540	3.4
128.06207	2.6
129.05522	8.2
129.07016	6.1
131.04965	1.2
131.08580	10.4
133.06444	1.9
133.10127	8.2
135.08081	16.5
135.11710	7.9
137.09563	1.3
139.11205	1.2
143.08569	4.2
145.04906	1.8
145.06555	2.6
145.10150	8.4
147.08015	4.6
147.11694	3.8
149.09622	4.7
149.13255	3.7
151.11180	1.5
153.01837	6.3
155.08563	2.8
157.06538	1.1
157.10138	4.9
159.08026	4.4
159.11676	4.8
161.09656	6.4
161.13179	1.2
163.03954	1.8
163.11198	5.0
169.10065	2.1
171.11661	3.1
173.09628	3.1
173.13211	2.1
175.11221	3.8
177.05530	1.6
177.12776	4.9
179.10641	1.0
181.12178	1.8
183.11632	1.4
185.09705	1.2
185.13188	1.2
187.11148	2.2
189.12749	2.2
191.10623	1.6
195.11615	1.6
197.13356	1.3
199.11217	2.0
199.14848	2.0
201.09171	1.2
201.12682	1.6
211.07460	2.1
213.12747	1.2
217.05127	1.6
217.15929	5.9
219.65671	1.0
221.15405	2.3
225.09212	1.2
227.12624	1.6
229.05086	1.7
233.15305	2.5
245.04332	2.2
245.18997	2.5
251.16386	1.2
255.17557	2.3
257.04462	1.1
257.08121	1.2
259.09518	1.7
265.14401	3.7
269.04471	1.5
269.17471	2.9
273.03809	2.6
273.18521	26.2
279.15915	1.5
283.15439	2.4
285.03864	1.8
291.19586	14.3
299.05438	6.2
301.03397	7.6
301.16476	2.8
303.05017	3.2
307.19113	2.6
311.05756	1.5
313.03427	18.1
323.05548	1.4
325.07089	1.4
325.14243	2.1
325.20581	1.1
326.04245	1.8
327.08655	1.7
347.22256	8.9
353.13757	5.7
355.08151	24.9
365.23236	58.8
381.09482	1.9
381.19534	1.2
383.24258	14.2
399.10764	100.0
407.24310	2.0
451.13815	1.2
455.24100	1.5
469.14886	2.5
473.25314	2.0
495.15906	1.3
509.26828	1.7
527.28552	3.1
545.31946	8.0
546.42084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.2
55.01869	15.8
55.05512	53.9
57.03429	26.3
59.04998	6.1
61.02924	17.8
67.05511	67.1
69.03424	30.6
69.07082	36.3
70.42977	21.9
71.04987	14.2
73.02901	5.8
79.05509	62.3
81.02991	9.4
81.03429	99.0
81.07065	62.6
83.04974	26.1
83.08619	40.7
85.02918	37.6
88.23232	5.9
91.05488	52.0
93.07040	44.4
95.04984	45.4
95.08625	32.5
97.02893	30.8
97.06521	21.5
97.10167	29.9
99.08073	7.3
100.68202	6.2
105.07043	39.9
107.04945	13.9
107.08614	33.4
108.13946	5.3
109.02892	13.6
109.06514	17.0
109.10130	28.0
111.04443	13.5
111.08060	20.4
117.06992	16.9
119.08587	46.1
121.06515	11.0
121.10168	29.6
123.08054	23.1
123.11700	6.7
125.09640	31.9
127.03929	17.0
129.05473	5.5
129.07014	13.4
131.08612	26.6
133.06503	7.5
133.10208	27.1
133.11032	6.0
134.99243	6.1
135.08075	13.3
137.09595	9.1
141.62540	5.9
143.08580	10.9
145.10115	12.7
147.08060	14.3
147.11661	8.7
149.09604	15.1
154.06261	5.5
155.08580	7.8
157.10109	18.4
163.11119	8.0
175.11140	23.2
189.11220	20.3
193.12270	55.7
211.13287	40.0
223.13235	15.6
227.12791	18.2
229.14281	10.0
249.14760	11.5
267.15884	38.5
273.18579	40.0
277.69342	6.4
285.16983	95.2
291.19580	82.3
325.14172	17.8
330.66266	5.1
347.22098	17.2
353.13748	8.3
365.23230	100.0
383.24210	17.9
399.10800	14.2
429.21170	18.2
438.18091	5.9
490.67542	5.8
527.28314	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59953	4.2
53.03948	10.4
55.01861	14.9
55.05517	37.8
56.96570	5.0
57.03448	25.1
59.75468	4.4
61.02912	20.7
67.05507	48.4
67.21880	4.9
69.03424	21.3
69.07077	28.2
70.84194	10.1
70.84535	6.1
71.04985	11.0
73.02909	8.3
75.27460	4.3
79.05502	48.6
81.03428	67.4
81.07063	60.4
82.99243	4.4
83.04965	16.0
83.08627	29.1
85.02916	42.7
91.03953	10.0
91.05494	37.4
93.07042	36.4
95.04977	30.7
95.08595	22.1
97.02905	30.2
97.06538	11.8
97.10162	26.8
99.04460	9.6
99.68768	4.9
105.07024	21.9
107.04962	15.0
107.08595	22.1
108.08913	5.2
109.02886	10.5
109.06526	6.7
109.10153	18.5
111.04458	9.5
111.08094	11.1
117.07025	11.4
119.08564	27.7
121.06509	9.1
121.10141	14.4
123.08100	23.9
123.11749	6.2
125.09657	28.5
127.03900	15.3
129.06924	6.0
131.08575	14.9
133.10147	11.0
135.08080	7.4
135.11714	6.4
137.09630	6.7
145.10155	10.7
147.08032	10.0
147.11699	12.5
149.09596	7.9
157.10138	10.4
161.20525	4.5
161.94296	4.9
163.11163	8.7
175.11156	9.9
189.11221	20.9
189.12729	5.4
193.12273	38.2
196.43677	5.0
211.13307	39.2
223.13348	16.5
227.12773	7.2
229.07478	7.0
249.14700	5.5
267.15887	15.3
273.18430	28.7
285.17001	70.2
291.19553	100.0
347.22046	11.9
354.07452	5.5
365.23312	83.2
383.24161	10.6
404.28842	12.9
429.21146	11.5
527.28241	13.2
545.28760	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	545.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03444	3.7
59.38841	0.6
61.02924	1.3
62.43732	0.7
67.05485	0.8
67.24254	0.7
69.03433	4.4
69.50584	5.0
70.06593	1.2
71.04994	13.8
79.05474	3.1
81.03413	1.3
81.07048	2.5
82.36636	0.7
83.05008	0.9
84.08118	3.6
85.02905	20.3
86.09702	1.0
86.54928	0.6
87.04503	0.8
91.05472	2.8
93.07024	0.8
94.04180	3.2
95.04971	1.2
97.02908	3.8
97.06517	1.9
98.97585	0.9
99.04430	0.8
103.05462	2.8
105.07050	9.7
107.04955	1.2
109.02847	1.0
109.06526	3.8
111.00800	1.1
112.70087	0.6
115.05473	4.3
118.04189	1.0
122.03649	7.9
126.46925	0.7
127.03922	2.1
128.06219	2.6
129.05470	2.6
129.06993	0.8
131.04973	1.3
133.06502	8.4
137.05981	73.1
141.07028	0.8
143.06042	0.8
145.04921	1.1
146.03613	4.6
147.04433	1.1
147.07959	1.0
149.05927	1.0
153.01854	6.1
156.05710	1.3
159.08070	1.0
161.05984	61.0
168.05757	0.7
171.08054	1.6
175.07570	2.0
178.07980	0.9
179.08783	0.7
184.05251	3.7
187.07571	2.0
189.06966	1.3
190.07919	1.0
191.08591	1.7
192.09294	1.4
199.07550	20.1
201.05545	1.3
202.07774	10.9
203.06688	1.4
203.08568	22.3
204.09314	2.1
205.06441	2.0
219.08092	7.6
220.08878	6.5
230.07254	2.5
231.08066	33.0
232.08836	6.7
233.05823	0.9
235.07486	1.4
235.11209	2.7
237.09004	0.9
245.09656	1.2
247.07588	5.2
248.08325	16.1
249.09090	2.0
258.06790	2.5
259.07559	24.9
260.08334	16.8
261.09067	1.0
262.09952	1.9
263.10681	17.2
265.08655	1.0
270.05389	1.2
275.06982	2.5
276.07794	13.7
277.08600	3.6
291.10165	100.0
292.10986	6.3
293.08026	2.5
295.09854	1.0
295.13235	1.9
298.05060	1.1
308.10410	2.9
309.07294	1.0
323.12784	63.9
353.13849	2.0
355.08118	27.5
357.18640	1.5
381.09836	1.3
399.10748	36.1
545.25360	14.3
545.32983	12.9
545.40601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
55.05506	2.1
56.62894	1.8
57.03450	8.9
68.99775	2.9
69.03435	3.0
69.30531	10.1
69.30952	3.0
71.05000	44.0
75.04488	1.7
79.64117	1.5
81.03432	2.0
83.04975	5.7
85.02912	53.3
91.05445	1.9
98.24689	1.5
99.04483	2.1
105.06992	1.8
111.00815	3.0
111.04436	2.8
123.04398	1.9
129.05508	11.9
133.84822	1.7
135.04408	2.3
137.02357	1.9
139.03897	2.0
141.06981	2.0
143.08513	1.7
147.04443	2.5
153.01840	85.5
153.06996	2.1
155.08655	1.8
160.05286	2.3
161.05992	3.5
165.01875	9.5
171.08014	2.2
173.06012	5.4
175.07477	3.4
177.01794	1.9
177.05527	2.6
181.06505	2.7
187.07585	3.0
189.05457	3.0
189.09108	3.3
195.02913	16.4
199.07515	3.7
201.05428	3.2
201.09212	2.1
203.03439	3.2
213.05495	1.7
215.06879	3.6
217.04951	2.5
217.08536	2.4
219.02802	3.8
227.07118	7.9
229.08675	5.0
231.06624	2.0
244.85120	1.7
245.04533	3.1
245.08116	3.1
251.06790	1.8
255.06483	10.2
263.05325	4.0
269.04346	2.1
269.07974	2.1
270.05264	2.7
273.07593	30.4
282.05283	1.9
283.06042	2.4
285.03900	4.1
298.04691	4.3
303.05185	2.1
307.09518	2.2
309.07681	2.1
311.05560	4.0
313.03427	5.4
313.06863	2.5
323.05441	2.4
325.07141	2.2
327.05002	4.3
334.04544	1.9
335.08963	3.1
337.06924	3.8
339.04968	4.1
341.06628	10.2
353.10126	5.2
355.08151	27.3
363.08777	5.4
381.09723	73.3
399.10785	100.0
400.11011	1.8
417.21454	1.7
423.10638	4.6
441.11829	4.4
491.13022	2.0
527.15173	2.7
567.37262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94782	1.2
55.01884	1.4
55.05516	2.9
57.03446	8.1
64.73814	1.2
67.05522	2.0
68.99786	3.2
69.03424	5.9
69.07061	2.1
70.81893	2.9
71.04998	32.6
73.02922	1.4
81.03429	2.4
81.07058	1.6
83.05002	7.3
85.02911	44.2
91.05490	1.7
95.04953	2.0
97.02899	1.9
97.06585	1.5
105.06998	1.6
107.04968	2.2
109.02837	1.9
111.04445	5.4
113.06019	1.6
115.05455	1.5
123.04416	3.1
129.05493	7.7
129.07005	2.5
135.04408	4.2
136.76872	1.3
139.03835	1.5
143.04874	1.6
143.08559	2.1
147.04323	1.4
149.02339	1.5
153.01845	100.0
153.07018	2.0
157.06473	1.3
159.06647	1.5
160.05196	2.9
161.06061	6.7
162.38559	1.1
163.03938	2.5
165.01921	9.1
165.06989	1.4
173.06027	3.8
175.07547	4.2
177.01845	3.6
177.05441	1.8
179.03433	1.7
181.06412	2.0
183.02824	1.9
183.08109	1.4
187.07521	1.5
189.05447	4.9
189.09021	2.3
191.03436	2.5
195.02913	14.6
199.07600	4.1
200.04659	1.7
201.05458	3.7
201.09097	1.7
203.03433	2.8
203.07013	2.4
207.02890	1.4
213.05527	2.2
215.07138	3.9
217.04951	3.8
217.08545	1.8
219.02939	3.2
227.07048	8.4
229.04903	2.0
229.08517	6.6
240.04346	1.3
245.04530	3.6
245.08067	3.7
247.01634	1.4
251.06926	1.8
255.06514	12.9
263.05597	5.4
269.04388	1.7
271.06079	1.4
273.07581	33.1
282.05270	3.1
285.03986	2.5
297.07663	2.1
298.04657	7.3
299.05365	3.2
306.05209	1.6
307.06256	1.6
309.07550	2.7
311.05548	4.3
311.09323	4.1
313.03430	6.7
313.06836	2.0
323.05371	1.8
324.06348	1.8
325.07065	2.0
326.04025	3.5
327.05020	5.2
334.04483	2.2
335.09235	4.2
337.07019	2.1
339.04990	2.5
341.06503	11.7
342.07431	1.6
353.10220	4.4
355.08151	37.1
363.08636	3.9
379.08395	1.8
381.09741	36.3
395.10742	1.5
399.10767	93.7
405.09940	1.9
423.10782	5.2
441.11493	6.1
491.13144	1.9
509.14557	3.2
527.15424	3.1
545.33020	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	545.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05504	0.8
57.03443	4.0
65.03947	0.5
66.50790	0.4
67.05491	1.4
69.03413	1.4
69.07063	1.6
71.04998	23.9
71.27463	0.7
73.02914	0.4
75.04462	0.7
79.05505	1.8
81.03418	0.8
81.07063	1.1
83.04968	1.3
85.02909	23.2
87.04479	0.7
89.82323	0.4
91.05489	0.6
92.02633	1.4
93.03409	1.1
93.07044	0.9
95.04955	0.8
97.02916	0.7
97.06519	2.8
99.04454	0.5
105.07058	0.5
107.05002	0.6
107.08582	0.7
109.10165	1.0
111.04448	0.6
119.08604	0.8
121.02888	1.8
123.04367	0.4
125.09592	0.6
129.05504	5.3
131.00279	0.5
141.62704	0.3
145.09972	0.4
147.06560	0.6
153.01839	8.9
163.03877	0.4
176.59924	0.5
179.03424	1.5
184.07211	0.5
189.05588	0.4
200.04675	0.4
201.09175	0.4
203.03471	0.9
217.04951	5.8
228.04185	1.5
229.05035	2.1
231.02893	0.9
245.04448	5.7
246.05260	1.8
257.04395	1.5
273.00980	0.6
273.03958	12.1
274.04745	4.4
284.03137	0.7
285.04028	1.1
285.07080	0.5
301.03470	3.3
302.04236	33.8
303.04987	6.8
313.03516	0.8
325.14291	1.0
339.04865	0.5
353.13910	1.2
381.09720	1.1
399.10767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	16.5
55.01897	12.7
55.05507	18.1
56.85264	7.3
56.96558	9.7
57.03436	18.3
57.07067	7.5
61.02926	13.6
62.38142	7.2
67.05498	26.1
69.03416	24.6
69.07059	18.2
71.04995	9.5
71.54845	7.7
73.02898	7.9
73.12819	9.1
74.41444	10.0
75.43911	8.1
79.05486	26.3
81.03423	51.6
81.07069	39.4
85.02917	100.0
85.06544	9.6
87.00829	25.6
90.21218	7.5
91.05472	19.2
93.06561	7.2
93.07045	38.8
95.04954	31.0
95.08612	46.5
97.02887	29.9
97.06555	14.3
99.04464	18.5
104.80684	7.2
105.01843	23.9
105.07030	25.8
107.08580	51.1
109.02868	32.7
109.10136	44.6
111.04525	9.2
117.07065	6.9
119.08577	48.1
121.10166	57.8
123.04460	10.3
123.11696	18.0
125.09666	10.1
127.03909	50.3
131.08525	10.3
133.10144	57.3
135.11693	54.4
139.11182	10.8
145.04938	24.3
145.10130	27.8
147.11722	24.4
155.10651	12.3
159.02927	15.7
159.11717	23.2
161.13242	17.4
165.05577	8.1
171.08084	8.4
173.11978	8.6
173.13315	28.5
175.14757	20.6
187.14862	21.8
191.64619	7.4
201.16376	13.2
203.17862	20.9
205.15884	10.9
221.11600	9.7
231.05069	8.9
243.21095	41.0
261.22079	57.8
295.35550	6.9
303.89175	7.6
403.28375	21.9
434.48166	10.1
445.20782	8.5
473.24988	11.9
483.14856	10.1
544.20825	8.2
570.16559	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	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01868	3.2
55.05520	17.1
57.03431	7.1
65.03939	2.2
67.05505	34.7
68.05842	4.9
69.07072	11.5
71.05008	4.1
71.07367	4.3
79.05498	23.8
80.80753	2.1
81.03409	6.3
81.07060	30.4
83.04974	4.8
83.08627	10.0
84.09760	2.1
85.06524	2.0
86.09708	19.0
87.10039	9.8
88.74798	2.2
91.05486	21.0
93.07043	21.5
95.04969	7.5
95.08623	21.5
97.06499	2.4
97.10177	8.9
104.10756	6.1
105.04539	1.9
105.07035	21.4
107.08574	10.2
108.08951	2.4
109.10160	12.2
111.08060	2.8
117.07044	12.8
119.08566	12.2
121.10171	6.5
123.11670	2.8
125.09632	4.3
128.06235	2.6
129.07011	11.0
131.08583	15.0
133.10149	8.3
135.08018	2.6
135.11752	5.3
141.07002	4.8
142.07887	2.1
143.08594	10.7
145.10161	13.4
146.98184	18.3
147.08138	2.2
147.11690	6.5
147.98538	5.0
148.98627	11.2
149.13274	2.2
155.08592	5.5
157.10152	11.3
159.08072	3.6
159.11671	10.5
161.09521	2.3
167.08583	2.6
169.10179	7.6
171.11705	7.1
173.13344	5.2
181.10150	3.8
183.11670	3.1
185.13243	6.7
187.11241	2.2
187.14848	3.7
189.11234	2.1
195.11676	3.3
197.13284	4.1
199.14868	3.5
209.13248	4.4
227.12837	3.3
237.16289	3.0
244.33429	2.1
259.20593	3.5
267.15784	3.8
283.20511	2.6
299.23642	4.6
338.26813	2.5
353.24802	2.3
357.24301	2.5
394.56284	2.3
415.29794	2.6
433.31018	6.7
451.32187	12.9
469.32986	6.3
483.24158	10.6
483.29941	2.1
484.24017	32.3
507.34784	3.9
515.36926	2.7
525.35858	24.2
543.37415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42009	1.3
53.03944	1.6
55.01870	2.5
55.05518	13.7
56.96554	2.3
57.03426	4.0
66.21558	1.2
67.05510	26.7
67.06062	1.2
68.82090	1.2
69.03442	2.2
69.07071	10.5
69.70856	2.8
69.71263	5.1
71.04991	4.1
73.27322	1.4
79.05496	20.4
81.03413	7.9
81.07065	18.6
83.04978	2.9
83.08629	7.0
85.02912	2.1
85.06570	1.7
88.15067	1.2
91.05486	21.0
93.07052	15.5
95.04959	5.4
95.08611	13.0
97.06522	1.3
97.10179	6.8
98.97608	1.8
105.07030	17.4
107.04960	3.6
107.08591	11.6
108.03681	1.2
109.06558	2.5
109.10163	10.7
111.08111	2.2
115.05431	2.0
115.24989	1.4
117.07017	10.1
118.30050	1.3
119.08592	12.5
121.06510	2.8
121.10155	6.2
123.11705	1.6
125.09599	6.3
129.06976	9.1
130.07822	1.2
131.08580	16.3
133.10147	10.2
135.08063	3.4
135.11720	4.3
137.06029	3.5
141.07031	2.8
142.07832	2.3
143.08603	9.4
145.06540	3.2
145.10121	11.9
147.08058	2.6
147.11681	6.6
149.09650	1.7
155.08615	5.6
157.10156	9.3
159.08069	2.5
159.11732	7.2
161.09601	1.6
161.13409	2.0
163.11235	1.4
169.10088	7.7
170.86421	1.6
171.08076	1.5
171.11737	5.4
173.09714	2.1
173.11909	1.4
173.13290	4.6
175.11143	1.6
181.10214	3.8
183.11728	4.9
185.09737	1.5
185.13312	4.7
187.11324	1.6
187.14902	4.3
189.11267	2.1
189.12793	1.6
193.12216	1.6
195.11763	3.0
197.13301	4.0
199.14871	2.7
201.16455	1.2
209.13243	2.6
211.13237	1.6
213.12851	1.6
221.13287	1.8
223.14941	1.5
227.12802	1.7
229.14337	1.9
241.19548	1.5
257.19153	1.5
259.20663	4.0
267.15842	3.2
269.12338	2.9
283.20670	3.4
299.23813	3.7
301.21732	1.7
313.21637	1.7
315.23322	1.9
353.68887	1.4
415.29877	2.5
417.26080	1.6
433.31232	6.6
435.27359	1.3
451.32199	8.3
469.33203	6.6
478.94052	1.7
507.34833	3.0
525.35889	23.7
543.36865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3689
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.81337	0.9
53.03956	1.9
55.01866	3.7
55.05513	18.0
55.89499	0.9
57.03432	3.7
57.07079	2.0
57.82807	1.0
59.05010	1.3
65.03947	2.3
65.84525	0.9
67.05506	28.9
67.06038	1.3
69.03433	2.1
69.07074	8.0
71.04990	2.0
71.08624	0.9
71.54008	1.2
73.06544	1.1
73.09177	0.9
79.05499	20.0
79.80374	1.0
81.03410	7.1
81.07060	21.3
83.04990	3.8
83.08632	7.4
84.47092	0.9
85.02909	2.2
85.06542	2.0
91.05485	16.8
93.07049	18.2
95.04972	6.8
95.08611	12.3
97.06535	3.3
97.10162	9.9
99.08076	1.1
105.07031	15.5
107.04962	2.5
107.08591	11.4
109.06545	2.9
109.10159	10.2
111.08130	2.3
115.05505	1.7
117.07024	10.0
119.08579	11.7
121.06555	2.5
121.10158	7.5
123.08116	1.5
123.11765	1.9
125.09641	6.4
128.06232	2.2
129.07008	6.5
131.08582	13.2
133.10170	6.9
135.08055	3.9
135.11674	2.3
137.09634	1.4
141.07008	2.3
142.07816	2.4
143.08566	10.3
145.06493	2.7
145.10133	12.6
147.08072	2.3
147.11705	5.5
149.09642	1.8
149.13301	2.2
153.07077	1.7
155.08563	6.0
157.10127	9.4
159.08064	3.0
159.11708	9.6
161.09630	1.1
161.13293	2.2
163.11244	1.8
165.12846	1.2
167.08606	2.7
169.10114	6.3
171.08075	1.7
171.11659	5.9
173.09631	1.7
173.11888	1.7
173.13339	4.5
175.14828	1.3
181.10155	3.3
183.11760	4.7
185.09715	2.1
185.13258	4.2
187.11159	1.4
187.14850	2.1
189.11281	3.0
193.12328	2.1
195.11702	3.2
197.13284	4.2
199.14888	2.9
209.13260	2.7
211.14928	1.9
213.12819	2.4
213.16393	1.2
221.13254	1.5
227.12807	3.3
229.07516	1.3
247.17117	1.3
267.15942	2.4
275.20114	2.0
283.20526	2.4
297.22183	1.7
299.20694	1.5
299.23526	6.2
301.21600	2.1
315.23291	1.7
327.23166	1.3
339.23401	2.2
415.30045	1.7
423.32599	1.6
433.31076	6.6
451.32074	9.5
469.33154	6.8
476.13342	0.9
487.34641	1.1
507.34540	2.1
515.38013	1.1
525.35822	21.8
540.08636	1.0
543.36847	100.0
544.36957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.0
53.38302	0.7
55.01853	1.9
55.05513	13.8
57.03405	2.3
57.07054	1.3
61.51276	0.7
65.03920	1.3
67.05505	29.0
69.03393	1.9
69.07074	9.9
69.64706	2.6
69.65121	1.3
71.04990	3.5
73.02897	1.5
75.46881	0.6
77.03902	1.0
79.05494	38.8
81.03391	2.2
81.07056	29.5
83.04974	3.5
83.08170	0.7
83.08618	7.7
85.06543	1.0
91.05482	19.3
93.07045	46.2
95.04984	7.3
95.08608	42.0
97.02890	3.8
97.06516	3.0
97.10135	1.6
99.04417	2.9
99.08079	1.0
103.05444	1.5
105.04534	1.5
105.07033	13.2
107.04958	7.1
107.08596	30.9
109.06494	1.4
109.10151	7.1
111.04435	0.9
111.08051	1.5
113.06007	0.7
117.07008	8.1
119.07804	1.0
119.08583	12.4
121.06520	4.9
121.10146	17.0
123.11701	1.6
125.05990	2.0
127.03929	0.8
129.06966	1.3
130.07764	2.1
131.08548	4.1
133.10143	4.8
135.08061	1.7
135.11696	41.4
139.07523	1.0
143.08533	1.2
145.10127	23.2
147.11647	1.8
149.13213	2.9
153.12814	1.1
157.10141	0.8
159.11621	1.9
161.13205	2.3
161.76868	0.7
163.11183	44.9
173.13246	2.6
175.14920	1.0
181.12219	10.7
187.14746	0.8
209.11697	2.2
220.51471	0.7
227.12785	100.0
243.21086	1.2
261.22092	5.6
275.19897	1.0
283.15359	0.8
289.93961	0.7
312.14435	0.7
313.61612	0.8
317.24918	1.9
525.35236	1.2
543.36835	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01876	3.9
55.05516	17.9
57.03441	2.9
57.07076	1.5
59.04986	0.9
65.03941	0.9
67.05508	27.2
69.03422	1.9
69.07080	8.7
70.71705	0.5
70.87476	1.5
70.87820	0.6
71.04990	1.7
73.74681	0.5
79.05499	22.8
81.03426	5.0
81.07063	24.9
82.31423	0.7
83.01343	0.8
83.04996	5.9
83.08626	8.8
85.02941	1.4
85.06541	1.4
91.04913	0.7
91.05488	17.8
93.07050	25.2
93.07646	1.2
95.04988	5.8
95.08609	17.1
96.96742	0.6
97.02921	1.3
97.06551	2.7
97.10172	9.7
98.21384	0.7
99.04457	0.7
99.08119	0.6
103.05476	0.9
105.04526	0.6
105.07037	16.0
107.04971	3.8
107.08598	15.7
109.06519	2.1
109.10170	7.5
111.04454	1.4
111.08074	1.9
115.05463	1.6
117.07024	10.1
118.07888	0.5
119.08585	12.2
121.06529	1.9
121.10151	10.0
123.08073	2.2
123.11755	1.5
125.06041	0.8
125.09637	7.4
128.06241	1.6
129.07011	6.2
130.07809	1.0
131.08575	15.5
133.06476	1.3
133.10141	9.6
135.08052	2.4
135.11699	10.8
137.09659	0.8
139.11197	0.6
141.07022	1.6
142.07797	1.0
143.08563	7.6
145.06476	1.5
145.10135	13.5
147.08046	1.7
147.11667	5.6
149.09619	1.6
149.13289	2.2
153.12753	1.4
155.08542	3.3
157.10141	5.9
159.08092	1.5
159.11694	7.3
161.09583	0.7
161.13289	1.9
163.11201	8.0
163.14888	1.1
167.08588	1.3
168.09470	0.6
169.10139	4.0
171.08015	0.7
171.10371	0.9
171.11687	4.8
173.09654	2.2
173.13242	5.3
175.11156	1.4
175.14867	2.4
181.10132	1.6
181.12265	1.8
183.11723	2.9
185.09688	0.9
185.13217	4.0
187.11220	1.1
187.13339	1.0
187.14870	2.0
189.11293	3.6
189.12825	0.9
189.16400	0.7
193.12241	1.0
195.11687	1.8
197.13263	2.6
199.14844	2.9
201.12762	0.9
201.16489	0.7
207.11665	0.9
209.11649	1.3
209.13382	1.3
211.13199	0.9
211.14957	1.3
213.12746	0.9
214.94861	1.5
221.13286	0.7
223.14838	1.4
227.12775	14.7
229.97485	0.5
237.16573	0.7
243.21350	0.6
257.18988	0.9
259.20496	3.0
261.22159	1.6
267.16043	1.5
275.20218	1.8
277.21732	0.8
283.20670	1.4
297.22183	1.3
299.20319	1.0
299.23615	7.2
301.21631	1.2
315.23221	1.0
317.24976	0.9
321.22311	0.7
333.24310	1.8
339.23291	1.1
355.26379	0.7
357.24188	1.4
415.30081	1.3
417.26236	0.7
423.32889	0.7
433.31046	4.5
451.32080	7.8
469.33249	5.0
487.34204	2.5
497.28644	0.6
499.34680	0.8
507.34940	1.3
515.37573	0.8
525.35797	18.0
543.20776	4.2
543.36853	100.0
544.37134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
51.73548	0.7
52.61581	0.6
53.03939	2.7
55.01872	3.6
55.05515	15.0
57.03436	2.9
57.07071	1.4
59.05012	0.9
65.03928	0.8
67.05508	25.8
69.03415	1.9
69.07073	8.9
69.24599	5.5
71.04996	2.5
79.05498	25.1
81.03404	6.8
81.07059	23.7
83.01334	1.4
83.04991	4.7
83.08624	9.0
85.02920	1.9
85.06584	0.7
91.05486	18.7
93.07049	22.5
95.04979	6.4
95.07989	0.8
95.08612	16.0
97.02941	0.7
97.06525	2.7
97.10182	10.0
99.04475	0.7
99.08112	0.7
100.10703	0.7
105.07038	15.1
107.04967	2.7
107.08604	15.7
109.06519	2.3
109.10168	8.5
111.04462	2.2
111.08088	2.3
115.05490	1.6
117.07032	10.3
119.08589	11.1
121.06523	1.7
121.09307	1.1
121.10147	8.7
122.01441	0.6
122.26542	0.7
123.08093	1.8
123.11703	1.4
125.09631	7.1
128.06218	0.8
129.07022	5.6
130.07800	1.7
131.08560	13.4
133.06523	1.1
133.10136	9.7
135.08025	1.5
135.11699	7.0
137.09605	0.8
141.07005	2.7
142.07822	1.2
143.08574	6.4
145.06476	0.9
145.10127	12.7
147.08066	1.9
147.11693	4.8
149.09634	1.2
149.13245	2.9
151.11179	0.8
153.07008	0.9
153.09181	1.0
153.12738	1.3
155.08618	3.8
157.10118	6.5
159.08090	1.7
159.11711	7.2
161.09569	0.9
161.13275	2.7
163.11182	6.3
164.95128	0.7
167.08569	1.6
169.10143	3.0
171.08073	0.8
171.11653	4.3
173.09654	1.9
173.13245	5.2
175.11208	1.1
175.14886	0.9
177.12820	0.8
181.10156	1.7
183.11693	3.3
185.13237	3.5
187.11331	1.1
187.14856	2.8
189.11234	4.0
191.10649	0.8
193.12340	1.6
195.11711	1.5
197.13326	1.8
199.11292	0.9
199.14815	2.0
201.12820	1.2
201.16367	0.8
207.11786	0.9
209.11607	1.4
209.13336	1.5
211.14932	1.1
213.12784	0.8
219.11708	0.7
223.14926	1.4
225.12700	1.0
227.12798	6.3
239.17969	1.0
239.76877	0.6
259.20703	2.2
261.22220	2.7
267.15942	2.1
275.20193	1.2
278.47241	0.8
281.22693	1.3
283.20630	1.2
297.22107	1.3
299.23715	7.6
301.21790	1.2
317.24908	1.2
333.24533	1.2
355.26517	1.2
357.24365	1.3
433.30878	5.1
451.32028	7.8
469.33273	4.6
487.34198	2.3
499.34225	0.9
507.34726	1.9
525.35712	15.2
542.54236	0.9
543.36847	100.0
544.37134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03934	2.8
55.01870	3.7
55.05513	15.4
57.03436	5.2
57.07070	1.8
59.04985	0.9
60.08148	0.8
65.03936	2.2
67.05508	25.7
68.05521	0.8
69.03442	1.4
69.07072	8.2
69.37129	1.7
69.37533	5.9
71.04984	2.5
71.08645	1.0
79.05498	17.8
81.03435	8.1
81.07060	25.4
81.65997	0.9
83.04993	3.1
83.08625	9.1
85.02921	1.7
85.06576	1.8
86.09699	1.9
91.05483	18.6
91.43219	1.0
93.07050	15.9
95.04988	4.5
95.08615	13.2
97.02830	0.8
97.06535	1.7
97.10174	7.3
98.21191	4.0
105.04545	0.8
105.07037	16.0
107.04970	2.7
107.08612	10.6
109.06525	2.5
109.10167	9.7
111.08115	1.2
115.05446	1.1
116.06300	0.9
117.07014	12.0
118.41701	0.9
119.08594	13.5
121.06509	2.3
121.10167	6.4
123.08092	1.6
123.11723	2.1
125.09630	8.4
128.06238	2.1
129.07010	8.4
130.12506	0.9
131.08585	16.2
133.06512	1.7
133.10138	6.8
135.08086	3.6
135.11705	3.0
137.09639	1.8
141.07011	1.7
142.07814	2.9
143.08569	8.5
143.09409	0.8
145.06480	2.3
145.10123	13.3
147.08047	1.9
147.11700	5.5
149.06026	1.9
149.09714	1.8
149.13318	1.2
151.11226	0.9
155.08571	5.4
157.06451	1.0
157.10127	10.3
159.08096	2.8
159.11710	7.8
161.09642	2.1
161.13286	2.0
163.11171	2.3
167.08609	2.2
168.09479	1.0
169.10132	8.2
170.10889	0.9
171.08090	1.3
171.11688	7.3
173.09665	2.3
173.11879	1.4
173.13208	5.8
179.14230	1.6
181.10135	2.5
183.11743	5.3
184.07404	3.0
185.09601	1.8
185.13226	5.0
187.11214	1.6
187.14870	2.9
189.11261	3.1
189.12802	1.2
193.10251	1.2
193.12262	1.5
195.11758	3.4
197.13275	4.3
199.14880	2.0
201.12746	1.0
207.11703	1.3
209.13364	3.7
211.11273	0.8
211.14912	2.7
213.12756	1.6
213.16473	1.4
221.13316	1.7
223.14883	2.1
225.16522	1.2
227.12827	3.6
227.62123	1.0
229.14214	1.3
235.14854	1.4
241.19658	1.5
255.21185	1.2
259.20657	3.6
265.19742	0.9
267.16040	2.5
277.21756	1.5
278.38019	0.9
283.20554	2.4
297.22171	2.5
299.20425	1.6
299.23611	5.9
313.21744	1.2
315.23276	1.3
325.21902	1.1
333.24469	2.3
353.24857	1.7
357.24255	1.2
377.24768	1.0
403.24719	1.4
415.30225	2.3
421.26044	1.3
423.32700	1.8
433.31076	7.2
451.32245	10.8
469.33295	4.4
484.24725	1.0
497.37015	1.0
507.34894	2.2
515.37457	1.5
525.35840	22.9
543.36951	100.0
544.37091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14992	0.7
53.03945	2.5
55.01872	3.8
55.05514	17.6
57.03439	3.7
57.07083	1.6
59.04997	1.2
65.03947	1.5
67.05511	26.1
69.03429	2.1
69.07066	8.0
71.04995	2.0
71.54670	0.7
71.55102	1.2
79.05071	1.5
79.05502	20.9
81.03430	6.9
81.07066	23.4
81.07533	1.7
83.05000	4.3
83.08630	8.2
85.02911	1.9
85.06543	1.6
91.05488	18.2
93.07053	19.8
95.04983	5.3
95.08621	13.1
97.06535	3.0
97.10181	10.9
99.67299	0.9
105.04520	0.9
105.07045	17.0
107.04971	2.8
107.08598	13.6
109.06516	2.6
109.10156	10.3
111.04453	2.1
111.08060	2.6
117.07031	9.6
119.08578	13.3
120.22564	0.8
121.06491	1.7
121.10151	7.4
123.08082	2.6
123.11710	2.3
125.09640	8.6
128.06281	2.0
129.07028	7.6
131.08582	13.9
133.06512	1.3
133.10138	9.3
135.08043	1.7
135.11702	6.4
139.11176	1.1
141.06970	1.5
142.07787	1.5
143.08575	6.9
145.06482	1.3
145.10144	15.1
147.08099	2.2
147.11708	6.1
149.09613	1.4
149.13266	1.2
151.11185	0.9
153.09117	0.9
153.12656	1.3
155.08588	3.1
157.10127	9.3
159.08083	1.4
159.11707	9.3
161.09680	2.1
161.13292	3.3
163.11211	4.7
168.09364	1.0
169.10152	5.4
171.08153	1.7
171.11717	5.1
173.09663	2.6
173.13245	6.3
175.14851	1.1
181.10121	2.2
181.12250	1.1
183.11734	5.0
185.09645	1.3
185.13197	4.1
187.11272	1.7
187.13307	1.7
187.14873	2.8
189.11235	4.9
193.12216	1.4
195.11742	2.7
197.13341	3.7
199.14847	2.1
201.16475	1.2
209.11624	1.1
209.13367	1.6
211.14926	1.6
213.12991	1.1
213.16466	1.1
214.94856	1.1
223.14883	1.4
227.12764	11.2
237.16454	1.3
241.19543	1.2
243.15871	0.9
259.20630	1.5
261.22061	1.3
267.15982	2.7
275.20120	1.1
277.21951	1.3
283.20541	2.1
285.18414	1.1
297.22101	2.4
299.23706	8.0
315.23047	1.3
321.22537	0.9
325.21658	1.1
331.22687	1.0
333.24109	1.2
357.24203	1.9
415.29993	2.1
433.31149	6.1
441.33801	0.8
451.32156	8.5
469.33234	5.2
487.34167	1.9
507.34457	1.1
515.37372	1.1
525.35846	20.7
543.20911	4.0
543.36877	100.0
544.37231	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49478	0.2
53.19613	0.2
55.16831	0.2
61.53592	0.2
67.05494	0.4
68.21992	0.2
69.03459	0.6
70.06593	1.1
72.08163	0.7
81.03457	0.3
81.07066	0.5
81.20085	0.2
84.04520	0.3
84.08155	0.3
85.02921	0.6
86.07092	0.2
86.09718	0.7
93.07034	0.2
97.02905	0.4
98.20806	0.7
98.97614	0.3
99.04468	0.2
107.08598	0.4
109.06519	0.4
127.03825	0.6
163.03868	1.3
181.51253	0.2
186.74155	0.3
201.03764	0.3
249.14763	0.6
301.37186	0.2
317.08502	1.0
333.07922	0.7
335.09512	3.0
336.68353	0.2
342.48294	0.2
348.12991	0.2
351.17764	0.3
411.19879	2.4
525.22803	0.4
543.24152	100.0
544.24365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18372	0.9
53.03946	1.6
53.53752	0.8
55.05501	2.5
57.03442	0.9
57.07084	1.7
65.03936	2.0
67.05495	3.4
69.03431	6.7
69.07069	5.5
69.63819	4.9
70.06599	5.7
71.04980	1.5
71.13206	0.8
72.08155	2.0
77.03928	0.8
79.05492	8.1
81.03410	1.5
81.07076	5.2
82.08289	0.8
83.04961	2.2
84.04471	1.2
84.08150	2.3
85.02896	4.9
85.06522	1.0
86.09699	1.9
91.05484	19.0
93.07058	8.1
95.04975	2.1
95.08622	3.9
97.02869	1.3
98.21559	0.9
98.50109	0.8
98.97556	2.3
100.07624	1.5
103.05468	1.3
105.07042	21.5
107.04941	1.2
107.08601	16.2
109.02910	1.2
109.06532	1.9
109.10142	1.3
110.07127	0.8
111.08105	1.2
115.05453	1.8
116.06236	1.8
116.07066	1.3
116.38312	0.8
116.98572	1.0
117.07025	8.3
119.08585	19.6
121.06506	1.8
121.10153	14.0
123.08049	2.4
125.09624	1.8
127.03876	1.6
128.06236	3.8
129.07013	11.0
129.10251	1.1
130.07782	3.0
131.08574	35.4
133.10129	10.3
135.08060	7.0
135.11624	1.8
136.07568	2.2
137.06062	0.9
142.07790	2.1
143.07536	1.3
143.08572	19.0
144.09311	6.6
145.10130	21.1
147.08009	1.1
147.11694	8.2
149.09578	3.3
149.13263	8.3
156.09323	1.4
157.10098	1.8
158.10918	17.5
163.03888	1.0
163.11174	1.2
163.14804	1.8
167.10617	1.1
171.11649	2.6
173.13271	78.9
175.14854	5.1
177.05623	0.9
190.13342	0.8
191.14314	100.0
192.14749	0.9
207.02892	0.9
209.04453	3.4
209.15366	3.1
217.11778	0.9
233.09920	1.0
243.02948	1.1
268.15298	1.1
363.26855	2.3
381.27539	1.7
471.69934	1.0
484.66016	0.9
543.18872	1.0
543.24640	2.4
543.33331	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94483	0.7
71.52753	0.5
71.53257	1.0
92.31483	0.6
162.10730	0.6
200.07751	3.3
201.07851	5.5
219.08905	0.9
248.64601	0.6
254.01607	0.6
260.09891	0.8
261.10046	1.2
363.06952	2.3
381.07965	11.5
454.70108	0.7
468.06348	0.7
543.13257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74376	0.6
69.25587	0.8
69.25991	5.0
70.06590	0.6
83.08002	0.5
98.97559	0.9
115.05431	1.3
118.06537	14.3
130.06511	1.9
132.08093	7.2
141.40271	0.6
142.06551	1.1
143.07280	2.0
144.08092	12.2
146.06012	59.8
147.06320	0.9
159.09114	6.4
160.07634	1.3
163.03909	0.8
166.08635	1.4
170.06024	4.6
188.07071	100.0
189.07393	1.3
205.09726	46.4
267.11133	1.3
285.12317	1.4
303.13422	3.0
321.14594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01870	3.9
55.05513	9.5
56.96557	2.0
57.03450	7.1
57.07076	1.2
61.02909	1.1
65.03937	1.7
67.05513	27.6
68.05019	1.8
69.03430	4.0
69.07072	9.3
69.25249	6.5
69.25676	3.9
70.06600	1.2
71.04998	17.0
71.08640	14.5
73.02911	2.4
76.41393	1.2
79.05501	14.8
80.05031	10.0
81.03418	3.8
81.07060	24.0
82.06583	8.8
82.76232	1.0
83.04991	4.3
83.08624	5.3
85.02903	4.9
85.06560	6.8
87.00837	1.2
91.04980	1.4
91.05489	13.2
93.07047	21.0
94.06575	4.5
95.04974	4.4
95.08613	13.9
96.08157	2.4
97.02930	2.2
97.06532	9.6
97.10181	3.7
98.98489	1.9
99.08107	10.6
100.07648	1.5
105.07041	10.3
107.04967	1.6
107.08620	9.2
108.08174	2.6
108.08900	1.3
109.02883	1.3
109.06532	2.1
109.10174	6.0
110.09697	3.0
111.08080	3.0
113.06036	1.1
113.09654	1.4
117.07062	5.2
119.08624	5.6
121.10138	7.6
122.09705	1.5
123.08039	1.6
123.11709	2.0
125.09628	3.3
127.03933	3.5
129.05499	2.0
129.07034	2.6
131.08583	4.8
133.10156	6.7
135.08089	2.4
135.11702	4.6
137.09642	2.7
139.11156	2.1
143.06966	1.0
143.08577	1.9
145.10158	2.7
147.11705	4.1
149.09654	3.2
149.13211	2.8
151.11188	7.2
159.11710	4.2
161.13290	4.9
163.03917	2.1
163.11227	4.7
165.12805	1.4
166.14514	1.2
171.11742	2.9
173.11755	1.4
175.14867	1.3
177.12793	5.8
179.14362	2.2
181.12057	1.3
185.13301	2.1
189.12782	1.6
193.12337	1.6
196.13434	1.5
199.14960	1.2
214.18063	3.6
220.16969	23.8
221.04550	1.4
229.14372	1.8
231.04961	1.3
231.21007	1.2
238.18048	13.2
241.19514	4.1
243.21153	2.7
245.19194	1.4
258.19241	1.3
259.09644	1.8
259.20612	4.1
267.09433	1.3
275.20190	2.5
276.20425	2.7
277.21649	5.0
283.19077	19.7
294.20834	7.7
300.13565	1.4
312.21609	2.3
318.14609	4.8
320.25723	1.4
333.24210	12.2
336.15729	5.0
351.25323	42.4
351.29620	2.5
352.15564	1.2
374.17386	12.8
392.18356	100.0
401.29056	2.9
420.66431	2.1
431.21869	1.5
474.26242	9.2
492.27185	2.2
527.27893	1.2
542.22614	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	542.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01860	1.7
55.05509	8.5
56.96574	2.5
57.03433	6.3
57.07069	1.3
61.02902	1.3
62.06097	1.0
65.03928	1.5
67.05508	22.1
68.05009	1.4
69.03423	3.6
69.07062	6.2
70.06600	2.2
71.04992	15.2
71.08634	12.3
71.13737	1.2
71.14081	1.6
73.02923	1.4
79.05068	1.4
79.05495	14.5
80.05032	7.8
81.03419	4.7
81.07058	25.4
82.06579	6.7
83.04972	3.4
83.08614	4.9
85.02919	4.7
85.06539	5.4
86.09724	1.2
91.05487	11.5
91.69435	1.0
93.07040	16.1
94.06535	2.5
95.04965	4.3
95.08607	13.7
96.08144	1.9
97.02888	1.8
97.06538	8.7
97.10154	3.0
98.97536	1.6
98.98460	2.2
99.04467	1.2
99.08096	10.0
105.04546	1.0
105.07034	11.1
107.08602	10.0
108.08081	1.5
109.02861	1.6
109.06512	4.1
109.10147	6.8
110.09694	1.9
110.10508	1.1
111.08076	3.6
117.07040	4.6
119.08579	7.9
121.06499	1.8
121.10149	5.7
122.10511	1.3
123.08089	2.7
123.11697	1.3
125.00087	1.3
125.09638	2.5
127.03935	2.6
128.06186	1.1
129.05537	2.4
129.06992	1.7
131.08553	4.6
133.10152	6.3
135.08078	2.5
135.11705	3.0
137.09506	1.3
139.11179	1.7
142.12228	1.2
143.08647	1.3
145.04904	1.0
145.10107	4.3
147.08147	1.2
147.11711	2.7
149.09604	1.9
149.13237	3.1
151.11195	6.3
157.10136	2.3
159.11667	3.8
161.13266	4.0
163.03911	2.5
163.11176	3.6
165.35370	1.0
171.11668	2.2
173.13313	1.6
175.11252	1.3
175.14857	1.5
177.12733	3.3
179.14281	2.6
180.04193	1.1
185.13223	1.6
199.14761	1.1
214.18015	3.9
220.16986	20.6
229.14294	1.8
238.18030	13.4
241.19516	4.1
243.21085	2.2
244.09592	1.0
246.19461	1.7
251.16422	2.1
256.19147	1.1
259.09698	2.6
259.20612	2.9
267.09036	1.5
275.20157	1.6
276.20242	2.1
277.21677	3.8
283.19113	17.8
294.21008	5.2
300.13510	2.3
312.21796	2.2
315.60196	1.3
318.14636	3.5
320.25760	1.4
333.24222	12.9
336.15790	5.3
351.25317	42.1
351.29666	2.0
369.26178	1.4
374.17276	14.9
392.18317	100.0
393.19012	1.3
401.28998	2.5
420.66476	1.7
429.21393	1.3
474.26135	6.7
492.27103	1.7
524.30670	1.2
542.21967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01870	3.9
55.05513	9.5
56.96557	2.0
57.03450	7.1
57.07076	1.2
61.02909	1.1
65.03937	1.7
67.05513	27.6
68.05019	1.8
69.03430	4.0
69.07072	9.3
69.25249	6.5
69.25676	3.9
70.06600	1.2
71.04998	17.0
71.08640	14.5
73.02911	2.4
76.41393	1.2
79.05501	14.8
80.05031	10.0
81.03418	3.8
81.07060	24.0
82.06583	8.8
82.76232	1.0
83.04991	4.3
83.08624	5.3
85.02903	4.9
85.06560	6.8
87.00837	1.2
91.04980	1.4
91.05489	13.2
93.07047	21.0
94.06575	4.5
95.04974	4.4
95.08613	13.9
96.08157	2.4
97.02930	2.2
97.06532	9.6
97.10181	3.7
98.98489	1.9
99.08107	10.6
100.07648	1.5
105.07041	10.3
107.04967	1.6
107.08620	9.2
108.08174	2.6
108.08900	1.3
109.02883	1.3
109.06532	2.1
109.10174	6.0
110.09697	3.0
111.08080	3.0
113.06036	1.1
113.09654	1.4
117.07062	5.2
119.08624	5.6
121.10138	7.6
122.09705	1.5
123.08039	1.6
123.11709	2.0
125.09628	3.3
127.03933	3.5
129.05499	2.0
129.07034	2.6
131.08583	4.8
133.10156	6.7
135.08089	2.4
135.11702	4.6
137.09642	2.7
139.11156	2.1
143.06966	1.0
143.08577	1.9
145.10158	2.7
147.11705	4.1
149.09654	3.2
149.13211	2.8
151.11188	7.2
159.11710	4.2
161.13290	4.9
163.03917	2.1
163.11227	4.7
165.12805	1.4
166.14514	1.2
171.11742	2.9
173.11755	1.4
175.14867	1.3
177.12793	5.8
179.14362	2.2
181.12057	1.3
185.13301	2.1
189.12782	1.6
193.12337	1.6
196.13434	1.5
199.14960	1.2
214.18063	3.6
220.16969	23.8
221.04550	1.4
229.14372	1.8
231.04961	1.3
231.21007	1.2
238.18048	13.2
241.19514	4.1
243.21153	2.7
245.19194	1.4
258.19241	1.3
259.09644	1.8
259.20612	4.1
267.09433	1.3
275.20190	2.5
276.20425	2.7
277.21649	5.0
283.19077	19.7
294.20834	7.7
300.13565	1.4
312.21609	2.3
318.14609	4.8
320.25723	1.4
333.24210	12.2
336.15729	5.0
351.25323	42.4
351.29620	2.5
352.15564	1.2
374.17386	12.8
392.18356	100.0
401.29056	2.9
420.66431	2.1
431.21869	1.5
474.26242	9.2
492.27185	2.2
527.27893	1.2
542.22614	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	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
54.79511	1.2
55.01870	2.6
55.05507	7.0
56.47884	1.0
56.96563	2.9
57.03424	1.3
67.05506	9.6
69.03432	9.0
69.07079	6.8
70.43200	2.6
70.43606	2.2
71.04978	2.3
79.05492	11.7
81.03409	7.9
81.07058	10.6
83.04980	9.8
83.08591	2.9
85.02901	7.9
85.06545	7.8
86.09684	1.2
87.00816	1.3
91.05482	14.1
93.07041	26.8
95.04974	5.3
95.08617	9.2
97.02877	4.0
97.06531	5.0
98.21478	1.4
98.97596	2.8
99.08092	1.7
100.62328	1.2
102.53207	1.2
105.01906	1.1
105.04536	1.3
105.07032	12.3
107.04967	3.5
107.08578	11.0
109.02869	2.9
109.06532	4.2
109.10155	9.7
111.08075	2.0
117.07030	4.1
119.08582	14.2
121.06486	9.8
121.10143	16.7
122.07269	1.4
123.08070	4.1
123.11679	2.1
125.09650	3.3
127.03928	4.9
129.06976	1.4
131.08582	10.4
133.10143	9.2
134.18077	1.0
135.08084	7.2
135.11687	5.1
137.08675	1.9
137.09622	20.5
139.11177	1.4
142.07753	1.3
143.08595	3.1
144.09311	1.2
145.04962	1.6
145.06483	2.1
145.10126	11.3
147.08064	1.9
147.11679	6.9
149.09615	4.2
151.11218	2.2
155.08601	1.4
157.10110	2.8
159.08035	4.7
159.11696	6.2
161.09602	2.9
163.11200	5.3
165.09122	2.1
169.10153	1.2
171.11696	2.9
173.09608	3.1
173.13274	15.3
175.11183	2.8
175.14787	1.6
177.12735	1.6
183.11659	2.2
184.28290	1.2
187.11269	2.2
187.14874	1.7
189.12756	2.1
191.14316	1.8
193.11993	1.3
197.13362	1.7
199.14822	1.7
201.12724	5.0
202.16411	1.1
211.13287	2.2
215.17897	1.5
217.15953	2.2
229.78366	1.4
239.17905	1.7
249.08046	1.6
257.19022	22.4
267.09009	16.3
269.12259	1.3
275.20062	100.0
281.17465	4.5
285.10089	15.8
291.19601	1.6
293.14191	4.1
293.21146	16.0
299.11563	5.6
317.12631	7.6
335.15344	3.9
455.19373	2.7
497.21405	4.1
541.20795	20.7
541.29041	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	541.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01867	7.7
55.05512	23.1
56.96567	2.7
57.03427	4.3
57.07082	15.9
59.05004	3.4
61.02933	4.4
67.05511	42.4
69.03429	31.8
69.07070	45.1
69.11298	2.1
69.52555	17.7
70.06586	10.6
71.04993	10.3
72.08146	4.6
79.05493	18.0
81.03419	7.3
81.07059	100.0
83.04987	7.6
83.06128	2.3
83.08626	12.0
84.08143	3.6
85.02908	24.5
85.06549	75.6
86.09704	8.3
87.00829	4.5
91.03962	2.3
91.05489	10.6
93.07045	53.4
95.04951	10.0
95.08615	70.9
97.02888	7.7
97.06514	14.5
97.10178	4.6
98.21481	5.6
98.97547	3.1
99.04428	4.3
99.08109	11.1
105.01846	3.1
105.07047	21.1
105.20912	2.4
107.08601	54.5
109.02892	8.4
109.06512	4.3
109.10163	63.7
109.30905	2.5
109.39189	2.5
111.08083	30.7
111.11730	5.9
117.07022	3.3
119.08578	18.3
120.08092	4.4
121.04034	3.4
121.06522	4.2
121.10158	34.7
123.08125	2.6
123.11711	61.9
123.46084	2.7
125.09632	79.4
127.03924	6.3
127.11237	6.5
131.08582	6.0
133.10167	11.9
135.08122	3.5
135.11716	28.4
137.06026	3.1
137.09593	4.1
137.13264	10.9
139.11169	10.9
145.05013	2.7
145.10170	9.5
147.11699	18.9
149.09612	4.3
149.13293	13.2
151.11200	5.4
153.12758	24.8
157.12305	2.7
159.11751	6.0
161.13263	9.3
163.11125	3.8
163.14825	8.5
165.12756	8.4
167.14359	3.7
169.12260	16.8
171.13809	78.6
173.13280	4.3
175.14867	9.9
177.12769	4.8
177.16428	6.0
179.14343	3.6
183.13811	5.2
184.07541	3.3
187.14781	4.6
189.16470	4.5
191.17979	9.3
195.13821	5.2
203.18054	3.0
211.16933	3.7
215.14375	7.5
215.17909	6.0
217.19540	4.1
219.17413	3.3
229.19737	2.8
233.15364	10.1
251.08691	3.9
251.11215	3.2
251.19913	3.5
252.09448	5.4
257.19022	4.1
269.12338	3.4
271.24176	6.4
275.20129	18.5
277.25345	9.0
285.10275	2.6
287.05527	4.8
289.25314	25.0
293.21106	12.4
295.26328	17.0
307.26315	49.2
313.27390	17.7
325.27280	23.0
331.28436	2.7
332.11267	4.9
343.28482	47.3
361.24884	3.4
361.29489	32.7
541.22186	24.8
541.30310	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	541.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01871	1.9
55.05505	10.5
55.31030	1.5
57.03423	2.8
57.07069	3.8
59.04997	3.6
67.05516	13.5
69.03438	14.4
69.07079	8.0
70.24574	3.2
70.24938	3.2
71.04979	3.7
72.79244	1.5
73.02912	1.9
79.05473	8.5
79.08533	1.5
81.02995	1.7
81.03440	8.8
81.07060	21.9
83.04975	11.5
83.08614	5.0
85.02911	22.5
85.06547	23.2
87.00847	8.8
91.05481	6.3
93.07056	19.2
95.04969	6.2
95.08606	13.1
97.02895	10.7
97.06525	4.4
99.04449	4.4
99.08109	5.6
105.01881	4.5
105.07021	14.0
107.04949	2.3
107.08598	19.9
109.02875	6.7
109.06537	4.3
109.10159	15.5
111.04437	2.7
111.08094	14.7
113.09652	5.2
117.06991	2.2
119.08575	19.1
121.06547	8.0
121.10146	30.8
122.07191	1.7
123.03603	1.5
123.04412	9.2
123.08081	2.3
123.11709	13.5
125.06058	1.9
125.09629	17.2
127.03934	14.2
127.07525	2.7
129.07007	3.4
131.08559	9.1
133.10149	11.8
135.08061	8.0
135.11685	9.7
137.09634	13.0
139.11162	4.9
143.08560	2.5
145.04962	4.7
145.10115	11.7
147.11707	7.5
149.09627	18.6
149.13248	3.6
151.11159	5.2
153.09114	24.8
157.10146	4.1
158.10953	3.1
159.02908	4.3
159.11710	11.2
161.09651	4.3
161.13251	2.9
163.11205	6.0
163.14751	3.0
165.09134	3.0
165.12677	2.5
167.10664	2.3
171.11765	5.0
173.09734	2.4
173.13242	21.9
175.11182	4.6
175.14865	4.5
177.09131	3.1
177.12791	5.2
179.10652	8.7
181.12271	3.0
183.11743	1.8
185.13283	1.8
187.11174	3.8
187.14784	13.6
189.12700	3.0
191.14307	11.9
193.12112	1.9
195.11850	1.9
197.13176	3.4
199.14778	1.9
201.12790	7.4
203.14302	3.5
205.12238	4.2
205.15871	4.3
207.13815	5.1
215.14360	2.7
215.17914	1.9
217.15810	4.9
219.13800	7.3
229.19521	6.8
233.15343	3.5
233.19067	2.7
247.20554	4.5
257.19022	17.6
275.20059	100.0
287.20145	2.1
293.21103	67.7
383.22055	2.5
455.31824	1.7
487.23346	2.6
505.24570	2.9
523.25037	2.3
541.26471	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	541.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91978	1.7
52.07424	1.8
55.01862	2.0
55.05504	8.6
57.07071	3.0
59.01991	1.6
59.04990	4.0
59.20184	1.6
67.05504	12.3
69.03433	10.1
69.07078	9.0
69.39377	15.3
71.05000	3.0
79.05503	12.8
81.03410	7.0
81.07066	18.2
81.87821	1.8
83.04993	9.6
83.08608	3.2
85.02916	11.3
85.06550	21.6
87.00814	5.4
91.05482	7.7
92.55861	1.7
93.07058	17.2
95.04958	6.3
95.08622	12.8
95.38163	1.7
97.02872	3.8
97.06528	2.9
97.10136	2.2
98.21527	3.8
99.08083	6.8
105.07024	10.4
107.04985	2.9
107.08604	22.1
109.02895	3.9
109.06532	4.6
109.10163	17.7
111.08074	13.3
113.09609	5.4
117.06992	2.5
119.08572	15.9
121.06506	7.8
121.10144	33.7
122.07235	2.0
123.04451	11.6
123.08069	4.3
123.11725	5.4
123.40932	1.7
125.09635	10.1
127.03905	5.0
127.07572	3.3
131.08548	9.5
133.10132	14.4
135.08057	8.9
135.11678	12.6
137.09618	20.9
139.11165	3.9
143.08524	2.1
145.10129	14.1
147.08037	2.9
147.11684	6.4
149.09653	16.3
149.13251	3.7
151.11145	4.5
153.09120	11.3
157.10155	4.4
158.10991	2.1
159.08035	2.7
159.11684	7.3
161.09579	5.2
161.13263	2.2
163.11171	5.4
163.14861	2.8
165.09119	2.0
167.10687	4.6
167.45638	1.9
171.11694	3.7
173.09677	3.3
173.13298	15.3
175.14856	2.1
177.09184	2.1
177.12738	3.4
179.10692	6.1
183.11610	2.3
187.11121	2.3
187.14812	4.7
189.12727	2.7
191.14345	10.3
199.14841	4.1
201.12755	8.4
203.14413	2.9
205.12230	3.6
207.13741	3.5
215.14294	5.3
215.17987	2.5
217.15952	4.6
219.13786	9.2
229.19551	3.2
233.15407	2.7
233.85657	2.0
247.20546	3.8
257.19049	16.3
259.20471	2.8
275.20065	100.0
293.21124	64.6
306.62973	2.0
369.24399	2.4
441.60944	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
54.36429	1.1
55.01878	3.5
55.05512	8.1
57.03432	2.7
57.07076	3.4
59.04992	1.8
59.76524	1.2
60.71115	1.4
61.02929	2.1
61.30592	1.4
67.05503	13.8
69.03431	14.4
69.07067	7.7
69.24603	12.4
70.82941	1.2
71.05000	3.4
79.05501	11.7
81.03446	6.3
81.07052	18.4
83.04973	10.3
83.08596	3.4
85.02913	12.1
85.06078	2.1
85.06549	23.2
87.00826	5.0
91.05485	7.1
93.07053	15.9
94.00945	1.2
95.04980	6.7
95.08603	9.6
97.02893	4.2
97.06516	3.9
97.10195	2.0
97.68427	1.2
99.04476	2.5
99.08099	6.2
105.01859	3.5
105.07021	10.7
107.04956	2.9
107.08607	21.3
109.02888	4.3
109.06518	5.4
109.10160	15.2
111.04459	2.4
111.08086	10.3
113.09639	4.6
117.07026	3.7
119.08596	12.7
121.06511	7.9
121.10143	26.3
123.04450	11.2
123.08067	4.4
123.11714	7.4
125.09636	11.6
127.03917	7.3
127.07526	1.5
129.06975	1.4
131.08575	9.5
133.06534	1.5
133.10130	13.9
133.21925	1.1
135.08075	8.8
135.11685	6.9
137.09615	17.0
137.13269	2.2
139.11191	3.3
143.08588	2.5
144.09430	1.2
145.04994	2.3
145.10136	13.1
147.08044	2.4
147.11678	6.5
149.06023	1.7
149.09621	12.9
149.13254	2.2
151.11162	2.6
153.09103	9.9
157.10114	4.5
159.02866	1.9
159.08075	2.7
159.11702	8.0
161.09610	5.0
161.13272	3.6
163.07498	1.3
163.11134	6.8
163.14824	2.9
165.09126	3.5
165.12743	2.7
167.10706	4.2
171.11665	2.5
173.09572	3.0
173.13257	14.4
175.11180	3.7
175.14845	3.8
177.09180	1.4
177.12819	1.5
179.10683	9.9
183.11621	2.9
185.13237	3.6
187.11197	3.7
187.14809	7.2
189.12776	5.2
189.16417	3.0
191.10658	1.4
191.14305	10.7
193.12122	1.7
197.13274	1.6
199.14830	4.6
201.12820	8.1
203.14264	2.5
205.12260	2.4
205.15869	1.4
207.13828	5.5
213.16396	1.2
215.14366	3.2
215.17908	1.8
217.15927	5.2
219.13771	5.8
229.14357	1.3
229.19547	3.3
233.15327	3.3
235.49895	1.2
239.17960	2.7
247.20668	3.5
257.18985	16.2
275.20074	100.0
289.05191	2.5
293.21130	64.2
329.20187	1.3
330.76065	1.4
365.20786	1.7
383.22156	1.6
446.87268	1.5
523.25800	1.6
541.21643	11.4
541.36963	1.5
564.52325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.4
69.03423	0.8
69.07089	0.3
70.06575	1.1
70.06962	0.3
70.10856	1.0
70.55663	0.3
71.04999	0.5
81.03413	0.4
81.07053	0.5
84.08147	0.5
85.02898	0.9
86.09695	0.4
93.07040	0.3
95.08627	0.6
98.97577	0.6
100.07977	0.3
109.02967	0.3
114.18349	0.3
119.08601	0.4
120.08150	0.4
121.10171	0.4
121.80769	0.3
127.03857	0.4
129.41261	0.3
133.10294	0.3
175.14850	0.4
250.74228	0.3
275.06198	0.4
275.20123	0.4
317.08435	1.2
335.09448	0.9
349.15509	0.4
379.14874	0.4
409.18329	1.5
541.22571	100.0
542.22723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
56.96558	0.9
61.02932	0.6
67.05495	1.3
67.78947	0.4
69.03424	1.6
69.07066	0.9
69.40033	1.3
69.40453	1.7
70.06598	0.5
71.04995	0.5
73.02926	0.4
79.05495	1.2
81.03418	1.2
81.07052	1.9
83.04984	0.6
83.08622	0.8
85.02906	2.3
85.06544	0.7
86.09731	0.9
91.05475	1.6
93.07051	1.4
95.04956	0.8
95.08604	1.8
97.02890	1.0
97.06528	1.0
98.20760	0.8
98.97586	1.1
99.04425	0.7
100.31888	0.4
101.06086	0.5
103.05497	0.5
105.07044	1.5
107.08608	1.3
109.02914	0.8
109.06503	0.6
109.10191	1.1
116.98624	0.5
117.03344	0.6
119.08595	1.6
120.08129	3.5
121.06489	0.8
121.10147	0.9
123.11758	0.6
125.09689	0.5
127.03942	1.4
129.06969	0.6
133.10176	0.8
135.08096	0.5
135.11746	0.7
139.75665	0.4
143.08551	0.6
145.02892	1.5
145.04984	0.8
145.06445	0.4
145.10139	1.5
147.11711	0.7
149.02351	1.2
149.09647	0.5
151.07538	0.7
158.99667	0.5
159.11676	0.9
161.09615	0.4
163.11209	0.5
173.13223	0.5
175.07520	0.4
177.05536	2.2
178.05785	0.8
181.12151	0.4
201.05576	0.7
203.07130	0.6
257.19128	1.0
263.34488	0.4
273.09467	0.4
275.16159	0.5
275.20114	2.5
277.17847	1.2
279.17108	0.7
280.67676	0.4
291.10602	0.8
293.14209	0.6
293.17285	2.9
293.20993	1.4
321.16888	1.7
409.14645	1.1
423.16440	0.6
424.17148	1.1
437.21454	0.9
453.20816	0.6
455.22720	6.3
479.22510	2.6
481.20395	1.7
497.23654	12.0
523.20911	1.3
541.22595	100.0
542.23047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.31345	0.2
57.03431	0.4
61.02932	0.6
69.03410	0.8
69.70033	0.7
69.70448	0.7
70.06585	1.0
71.04987	0.5
81.03398	0.7
81.37196	0.3
84.08150	0.4
85.02907	4.0
91.05451	1.3
91.58033	0.2
95.04972	0.4
97.02874	1.0
98.21590	0.4
103.05457	0.5
106.04177	0.6
115.05458	1.0
117.07028	0.6
121.06505	0.5
126.48315	0.3
127.03915	0.9
128.06219	1.2
129.07013	6.7
131.04938	1.2
131.08571	5.6
133.10161	0.4
137.05969	3.0
141.06984	5.1
143.04945	0.4
143.08585	0.3
144.05698	0.8
145.04950	0.8
145.06461	0.6
146.07231	0.7
149.05971	1.1
151.07510	0.4
157.06490	6.7
158.07291	2.5
159.08060	5.8
159.09277	0.6
160.05199	1.0
161.09610	0.6
163.07596	0.6
169.06476	2.5
170.07271	0.9
174.05241	0.6
174.06770	13.0
175.07584	2.5
177.05498	0.8
181.08652	0.4
186.06775	3.3
187.07535	0.6
188.08252	0.7
189.09109	26.5
191.07065	0.6
191.10704	1.9
201.09120	8.9
203.10681	0.4
207.10222	1.4
209.08121	3.1
211.13385	0.3
219.10167	100.0
220.10435	0.4
237.11241	0.8
381.15375	1.6
470.39215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01881	6.4
55.05519	12.3
56.20250	1.2
56.96556	2.1
57.03442	16.6
59.04997	4.6
60.92076	1.0
62.82667	1.1
67.05511	67.2
69.03426	2.4
69.07059	7.3
69.79618	4.2
71.01354	1.0
71.04976	4.5
73.02917	3.5
79.05500	8.9
81.03409	4.1
81.07063	18.6
83.04974	5.2
83.08620	9.7
85.02908	3.6
85.06575	2.6
90.00675	1.2
91.05481	10.0
93.07045	7.9
95.04987	2.8
95.08633	8.0
97.02891	1.5
97.06515	1.7
97.10165	4.5
98.98466	4.7
99.08114	1.6
105.06989	2.5
107.08595	4.7
109.06492	1.5
109.10168	78.0
109.36597	1.2
110.06070	2.1
111.08097	4.4
116.04706	5.3
119.08584	7.5
121.10182	2.8
123.08083	1.5
125.09639	5.4
129.05489	19.0
137.09592	4.9
142.02650	2.7
143.07043	3.2
147.11693	2.3
155.10667	7.4
157.08620	5.1
158.51602	1.5
163.11235	2.0
171.10088	1.5
173.11739	22.8
185.11778	2.7
198.14897	5.3
199.13194	1.7
200.14101	1.9
201.16147	1.3
216.06480	1.7
227.12798	1.4
229.14378	75.8
257.17517	5.1
267.15918	2.0
284.58597	1.4
301.16556	2.2
319.17484	2.5
352.15198	5.3
370.15820	2.4
378.16833	3.6
399.23755	100.0
424.17261	4.8
522.24908	2.3
540.25909	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01868	6.7
55.05269	1.7
55.05516	17.2
57.03432	5.1
57.07064	2.3
57.11726	1.5
59.05001	2.1
61.02947	3.2
67.05506	13.0
68.99787	4.1
69.03434	43.7
69.03816	2.1
69.07059	7.0
70.74479	4.0
71.04999	5.0
71.34391	1.4
73.02924	2.6
79.05505	9.1
81.03417	24.5
81.07057	15.7
83.04987	12.9
83.08634	3.0
85.02911	40.6
85.06547	26.7
87.00834	15.9
88.64913	1.7
91.05484	9.3
93.07043	16.6
95.04971	6.6
95.08610	20.0
95.38197	1.4
97.02899	18.2
97.06535	30.3
97.10152	3.0
99.04467	11.0
99.08093	23.2
101.06013	4.2
105.01875	11.4
105.07033	19.3
107.04956	2.7
107.08601	19.1
109.02908	21.1
109.06532	15.1
109.10145	13.0
111.08096	5.5
113.09668	8.2
115.03987	1.7
117.01853	3.7
117.07054	1.5
119.04954	2.1
119.08598	17.6
121.06518	9.8
121.10166	15.2
123.08076	30.2
123.11686	4.5
125.09646	29.7
125.28263	1.4
127.03922	32.5
128.06192	1.9
129.01845	3.9
131.08556	9.5
133.10132	16.2
135.08058	35.7
135.09021	3.0
135.11688	5.7
137.09624	11.6
139.07600	2.1
139.11159	4.7
142.07802	4.4
143.08594	5.7
145.04980	8.1
145.06413	1.6
145.10110	11.5
147.02890	2.0
147.08034	8.4
147.11713	7.9
149.09630	7.4
149.13266	3.3
151.07588	2.2
151.11198	5.0
155.10677	3.2
156.09343	3.9
157.10089	8.7
159.02893	12.2
159.08054	5.8
159.11697	11.7
161.09592	13.7
161.13281	6.3
163.07545	2.5
163.11176	6.5
163.14940	1.8
165.09114	14.0
169.10193	3.8
170.10834	2.1
171.11690	11.4
173.09641	8.4
173.13310	10.7
175.11169	10.4
175.14792	2.9
177.09091	3.4
177.12837	3.2
179.10696	3.4
183.11746	3.1
184.08919	1.7
185.09651	1.9
185.13284	5.8
187.11197	7.6
187.14836	2.6
189.12775	13.8
191.10687	1.9
191.14349	7.2
193.05048	1.6
193.12367	2.5
195.11810	2.7
197.13356	2.0
199.11244	2.9
201.12724	5.4
203.10719	2.4
203.14320	2.3
205.12309	2.0
213.12781	6.5
213.16373	4.1
215.14336	6.2
217.12273	3.7
217.15939	2.1
218.13005	2.1
225.16431	2.0
227.17908	3.3
229.15898	4.4
231.05064	5.8
231.13762	3.9
231.17442	8.2
233.15379	6.1
243.17441	7.9
245.19012	6.4
247.13245	1.8
247.16985	4.1
249.18208	2.2
255.17482	6.5
261.18536	12.4
263.20139	1.8
273.15213	1.8
273.18478	44.2
273.21271	2.8
275.20135	2.3
285.18604	1.5
289.05182	1.5
291.19559	100.0
292.44659	1.5
301.18207	1.7
366.41266	1.6
495.21756	2.9
503.23660	2.0
521.23566	4.2
539.19312	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	539.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01873	3.0
55.05507	12.9
56.96564	4.4
57.03437	5.6
57.07075	2.1
59.04998	1.6
61.02924	3.4
65.03943	1.4
67.05509	29.7
69.03431	16.4
69.07072	7.7
70.06602	3.4
71.04996	8.4
73.02931	2.6
77.96391	1.5
79.05505	10.4
81.03424	15.0
81.07058	18.3
82.07384	1.5
83.04997	9.7
83.08617	4.1
85.02904	22.9
85.06550	31.3
86.09698	3.1
87.00828	10.9
91.05468	9.0
93.07040	16.4
95.04961	6.0
95.08611	100.0
97.02887	11.1
97.06519	4.7
97.10149	2.9
98.97577	4.0
99.04447	6.0
99.08076	8.1
101.06007	2.5
105.01862	5.4
105.07036	13.3
107.04935	4.0
107.08591	11.7
109.02897	10.0
109.06522	5.1
109.10152	9.9
111.04473	1.9
111.08101	4.3
113.09645	12.8
116.98570	1.9
117.07017	1.6
119.08597	10.8
120.08063	2.0
121.06516	4.7
121.10178	9.5
123.08071	38.7
123.11691	2.9
125.09626	4.1
127.03928	13.9
129.01805	1.7
129.07028	2.2
131.08578	4.7
133.06453	2.1
133.10130	12.0
135.08069	12.5
135.11690	6.0
137.05917	4.0
137.09630	8.9
139.67354	1.2
141.09123	30.8
142.07703	1.4
143.08554	5.7
145.04939	4.2
145.10089	7.6
147.08028	4.1
147.11705	4.1
149.05872	1.8
149.09633	11.1
149.13260	2.5
151.07556	2.9
151.11188	5.3
155.08563	3.3
155.10657	2.3
157.10106	7.2
159.02895	3.8
159.08043	6.6
159.11723	7.2
161.09602	10.3
161.13235	3.1
163.03947	2.0
163.11157	3.8
163.14752	1.9
165.09102	2.2
169.10182	3.3
170.10878	2.3
171.11705	8.4
172.08719	1.5
173.09616	4.4
173.13257	5.5
175.11214	3.9
175.14737	1.5
177.09129	1.8
177.12708	2.8
179.10753	2.3
185.09645	3.3
185.13254	3.4
187.11209	3.8
187.14836	2.7
189.12749	8.5
191.10760	2.2
191.14377	6.9
193.12227	1.9
195.11624	2.8
197.05998	1.7
197.09636	1.8
197.13350	2.5
199.11145	5.2
203.10680	1.7
203.14265	3.7
205.12210	2.9
205.61760	1.3
207.12129	1.4
207.13837	9.0
213.12711	4.8
213.16304	2.1
215.07011	3.2
215.14348	5.6
217.12213	7.3
217.15828	2.0
219.01697	1.6
221.15353	1.8
227.17955	1.4
231.04985	3.4
231.13757	1.8
235.13228	1.7
237.22038	2.4
245.18983	2.0
255.17494	11.8
255.23145	6.0
259.09760	2.9
261.11823	2.7
261.18524	6.2
273.18527	34.4
273.24283	1.7
275.20053	2.8
276.68942	1.5
279.13022	1.7
291.16116	3.0
291.19534	62.2
301.17645	1.6
309.13977	1.6
328.17422	1.5
349.50693	1.7
428.40778	1.6
453.18130	5.6
471.19376	1.6
495.20743	7.1
496.49570	1.6
521.19452	2.8
539.19873	29.3
539.27820	2.3
539.85028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01868	1.7
55.05508	6.4
57.03438	4.3
57.07074	2.7
59.04989	0.8
61.02904	0.9
62.56633	0.7
65.03935	1.4
67.05505	24.7
68.99814	0.8
69.03432	8.0
69.07050	4.2
69.90324	2.3
71.04987	3.0
73.02939	0.9
79.05503	2.5
81.03426	6.9
81.07068	6.9
83.04988	2.2
83.08618	1.2
85.02914	8.9
85.06547	26.3
85.72407	0.8
87.00826	4.1
88.95669	0.6
91.05472	4.6
93.07047	8.9
95.04965	3.0
95.08610	100.0
97.02888	3.2
97.06548	2.3
97.10180	1.1
99.04448	4.6
99.08097	4.4
100.70223	0.6
105.01878	2.4
105.07026	5.7
107.08586	5.4
109.02911	4.1
109.06529	2.1
109.10164	3.2
111.08086	1.7
113.09653	14.5
115.05515	0.9
117.07025	1.3
119.08584	5.9
120.81938	0.6
121.06512	2.6
121.10135	3.5
123.08070	40.1
123.11693	1.1
125.09640	1.4
127.03925	6.9
129.07010	1.1
131.08603	3.5
133.10118	4.7
135.08057	7.4
135.11758	2.0
137.09633	3.9
139.07463	1.0
139.11197	0.7
141.09100	38.8
143.08569	2.2
145.04970	2.1
145.10124	2.7
147.08038	1.4
147.11693	2.5
149.09616	8.8
149.13229	0.8
151.11163	6.9
155.08583	1.0
155.10744	1.4
156.09401	1.1
157.10181	2.3
159.03006	1.8
159.08070	1.7
159.10204	2.6
159.11726	2.8
161.09596	7.3
161.10823	1.0
161.13309	1.7
163.11226	1.7
165.09100	1.1
169.10023	1.1
171.11630	3.5
173.09688	1.8
173.13290	2.1
175.11191	2.4
177.09163	2.7
177.12831	2.4
179.10674	1.8
185.13269	1.0
187.06195	0.9
187.11156	1.8
187.14909	1.2
189.12740	4.6
191.10699	1.7
191.14354	2.4
193.12296	1.1
201.12778	1.4
203.10710	2.0
203.14478	1.5
205.12209	1.0
207.13799	5.1
211.14867	0.9
213.03987	2.0
213.12848	1.0
215.14345	2.9
215.22874	0.8
217.12257	7.3
221.11665	0.9
221.15408	1.2
231.05061	0.9
231.13806	1.0
233.15445	0.8
245.19154	1.7
255.17485	3.0
259.09732	0.8
261.18478	3.7
273.18500	16.0
273.21249	1.1
291.19565	31.4
308.19110	0.7
343.14233	1.0
503.22781	1.2
539.25543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94587	0.8
55.05506	2.2
56.96560	1.1
67.05508	1.8
69.03438	2.2
69.56392	5.9
70.06586	1.1
71.04985	1.4
79.05488	1.2
81.03435	1.7
81.07043	2.8
83.04980	4.5
84.04501	0.9
85.02914	3.6
85.06525	1.6
86.09716	1.7
87.00819	1.4
90.28442	0.9
92.15794	0.8
93.07039	2.7
94.14417	0.9
95.04983	1.4
95.08604	2.3
97.06558	1.6
98.97567	1.8
99.08053	1.3
107.08634	1.6
109.06555	1.1
119.08568	2.2
121.06536	0.8
121.10148	2.0
127.03937	1.6
133.10168	1.2
136.07588	1.0
137.05986	3.6
137.09555	1.0
145.10158	1.0
161.09616	1.2
163.07330	2.3
176.31154	0.8
191.14352	1.2
199.11540	0.9
210.58492	0.8
213.12910	0.8
219.01921	1.1
229.15596	0.9
255.23117	1.4
259.09775	1.4
273.14584	3.6
273.18619	2.6
275.16348	1.9
287.05612	1.4
291.15704	16.2
291.19482	4.0
319.15179	5.0
355.13879	1.8
374.70038	1.2
435.19864	2.6
453.21008	23.0
495.22021	49.3
521.19769	4.4
539.20978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02165	1.8
51.41390	1.6
53.03937	3.8
55.01868	3.6
55.05512	10.4
56.96552	5.2
57.03406	2.6
57.07074	2.4
58.04999	1.5
61.02923	2.8
67.05504	18.7
69.03427	22.2
69.07076	9.5
69.32001	5.4
69.32413	8.1
71.04977	8.1
73.05511	1.4
74.07959	1.4
79.05485	8.5
81.03423	16.5
81.07054	17.5
82.07434	1.6
83.04977	15.0
83.08612	4.7
84.96033	2.0
85.02903	26.4
85.06550	16.6
87.00827	10.2
91.03994	1.8
91.05481	9.5
93.07037	16.1
94.29768	1.5
95.04963	4.0
95.08611	24.9
97.02888	9.3
97.06522	9.8
97.48492	1.5
98.97578	5.1
99.04436	6.1
99.08101	9.9
105.01856	6.3
105.07040	15.6
107.08593	14.9
109.02891	10.6
109.06518	6.1
109.10146	11.6
110.97601	1.9
111.08092	4.6
111.11691	1.5
112.99142	2.3
113.09580	3.1
116.98605	1.9
117.06985	2.0
119.08576	14.9
121.06509	6.3
121.10124	11.6
123.08070	6.7
123.11718	6.0
125.09606	6.2
127.03922	13.9
128.06160	2.0
129.07030	2.6
131.08585	7.8
133.06470	2.7
133.10143	13.9
135.08055	24.5
135.11699	5.4
137.09618	12.7
139.11185	3.4
141.07039	2.4
141.09094	2.7
142.07753	3.7
143.00145	2.4
143.08551	7.0
145.04945	4.9
145.06499	1.8
145.10138	11.2
147.08018	3.7
147.11705	7.2
149.09613	10.4
149.13297	3.6
151.07553	2.1
151.11180	1.8
153.09012	2.6
154.77354	1.6
155.05022	1.5
155.08563	3.0
155.10641	2.3
156.09299	4.7
157.10132	10.2
158.99663	2.2
159.02870	6.2
159.08057	10.5
159.11684	9.4
161.01112	2.5
161.09634	14.1
161.13248	5.3
163.03864	3.7
163.07558	2.1
163.11183	2.6
165.09094	5.4
167.08531	1.9
169.10164	3.8
170.10864	3.2
171.08078	5.2
171.11676	12.5
172.08757	1.6
173.02339	2.1
173.09651	13.2
173.13287	7.8
174.10350	2.7
175.11166	5.1
179.10651	2.5
182.10945	1.8
185.09569	6.7
185.13242	10.8
187.11209	6.0
187.14833	4.6
189.09074	2.0
189.12714	12.2
191.14319	5.0
195.11768	2.4
197.13309	4.5
198.10403	1.9
199.11180	9.0
200.11998	2.2
201.12737	4.1
203.10683	1.8
203.14380	2.9
211.11249	2.6
211.14819	1.6
213.12753	24.2
213.16365	2.1
215.07002	4.5
215.14319	10.9
217.12238	5.1
219.01810	2.3
219.13921	1.8
219.86411	1.9
225.12959	1.9
227.14349	2.3
227.17941	6.4
229.15775	4.1
231.05022	2.8
231.13712	3.3
231.17429	2.9
233.15359	2.5
237.02831	1.7
237.16435	2.9
237.21980	2.2
240.15027	3.2
245.19096	5.3
247.16953	1.7
255.17430	36.1
255.23209	5.2
259.09726	4.0
271.22592	2.9
273.11649	2.1
273.18503	43.7
273.23538	1.9
289.05365	2.3
289.11273	2.7
291.12790	9.4
291.19547	100.0
309.13980	2.0
333.13556	4.4
355.26288	1.8
385.71103	1.7
435.16705	3.4
453.20779	3.5
466.70877	1.7
495.21893	8.2
521.17548	12.2
539.19562	30.7
539.26990	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	539.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91241	1.4
54.94886	1.2
63.89199	1.0
70.60543	3.5
77.00932	1.7
82.99866	3.4
88.20255	1.2
94.99886	1.4
97.02905	2.7
101.00890	39.8
101.53729	1.0
109.02876	2.4
113.00864	8.5
115.02423	2.1
119.01930	34.6
127.02425	6.2
129.03996	1.4
131.01915	22.1
133.03487	3.2
137.02919	2.3
139.02399	2.5
143.01907	36.3
145.03474	17.5
147.01324	2.2
153.03984	1.8
155.01901	28.8
157.03494	9.5
159.05049	2.0
161.02972	27.2
166.82726	1.2
167.01926	19.3
169.03487	7.5
171.05052	4.2
173.01619	2.1
173.02983	31.0
175.04582	1.7
179.01881	4.3
185.02968	66.9
187.04529	7.7
191.03979	2.1
195.01369	3.1
196.04637	1.4
197.02985	22.6
199.04584	1.7
203.04008	18.8
209.02959	2.2
211.04648	1.2
213.00508	2.4
213.02449	34.1
215.03998	11.3
221.03110	1.2
221.05086	5.3
223.04434	1.5
225.02440	7.8
227.03996	11.8
231.03510	20.8
237.02350	2.1
239.00407	8.0
239.04034	2.1
243.03520	5.1
244.90222	1.3
245.05089	100.0
251.00327	1.5
255.03484	4.8
256.97281	2.0
257.01456	49.2
257.05048	4.6
263.06149	10.2
267.03497	2.4
269.01425	4.9
273.04495	2.3
275.02466	42.9
275.06067	13.8
285.04535	2.2
287.02448	9.7
293.07211	3.3
297.04483	3.8
299.02448	3.6
300.86734	2.3
301.64063	1.3
305.03494	3.2
305.07153	12.2
315.05569	4.0
317.03491	17.4
326.84634	2.1
333.06638	3.9
335.04602	2.1
335.08179	4.9
341.03629	7.6
359.00323	2.1
359.04630	42.6
365.09286	18.1
377.05670	57.4
521.09583	4.8
521.16534	1.3
539.10883	37.1
539.19098	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.05510	12.3
57.03437	5.2
57.07060	1.4
59.04989	2.8
67.05504	5.1
69.03436	28.9
69.07059	3.2
69.58274	4.0
69.58696	2.5
70.06592	4.7
71.04989	2.1
72.08164	1.5
73.02904	1.3
79.05481	3.9
81.03410	2.9
81.07063	10.9
83.04979	12.4
83.08623	8.7
84.04478	1.2
84.08136	1.8
85.02908	17.8
85.06538	1.7
86.09697	2.6
87.04487	12.5
88.07648	1.3
91.03972	1.2
91.05478	5.9
93.07065	6.8
95.04984	10.0
95.08617	5.8
97.02306	1.5
97.02899	20.8
97.06544	8.9
97.10155	1.6
98.97585	1.1
99.04443	3.2
99.08092	1.9
105.06521	0.9
105.07050	10.1
107.08601	13.2
109.02899	1.1
109.06516	16.2
109.10155	17.3
111.04449	1.1
111.08057	3.7
113.05978	1.3
113.09617	2.0
115.03934	20.7
115.07558	3.0
117.07048	1.5
119.08557	5.8
120.08060	1.2
121.06513	1.6
121.10151	11.8
123.08047	4.4
123.11685	4.7
125.09621	4.5
127.03888	2.2
131.08586	7.9
133.04965	20.2
133.09128	1.7
133.10136	32.1
135.08047	7.1
135.11681	2.1
136.53743	1.0
137.06023	1.3
137.09653	1.5
139.11229	2.6
145.04973	2.5
145.10106	3.5
147.11708	9.6
149.09608	1.3
149.13309	5.9
151.11174	13.9
153.09103	8.5
158.10890	1.6
163.14827	3.9
165.12732	3.9
167.14331	15.5
169.12164	1.9
171.14986	1.2
173.13280	17.3
175.14828	3.1
181.12262	2.8
191.14320	20.6
195.10095	1.1
209.15375	100.0
211.89180	0.9
227.16418	21.2
234.87260	1.1
259.07971	2.0
295.62939	1.0
341.19489	1.5
376.26920	1.6
380.08984	1.1
538.19135	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2631
Annotation	Phe Glu Ser Arg
Peak:m/z	Relative Intensity
55.01876	0.3
55.05510	0.7
56.96546	0.4
57.03425	0.5
59.60509	0.3
67.05504	0.9
69.03436	3.6
69.07060	0.6
69.96713	1.6
74.16666	0.2
79.05504	0.5
81.03439	1.4
81.07071	1.4
83.04971	0.7
84.08192	0.3
85.02506	0.4
85.02908	3.8
86.06071	0.5
87.00823	1.7
87.04470	0.6
91.05454	0.3
93.07053	0.4
95.04981	0.5
95.08604	0.3
96.08127	0.4
97.02895	2.7
97.06535	0.5
98.20866	0.5
98.97564	0.4
99.04444	0.7
105.01855	2.2
105.07048	0.4
107.08631	0.4
108.08089	0.3
109.02866	1.3
109.10152	0.4
111.04448	0.5
115.03931	1.1
115.58923	0.3
116.10741	0.7
121.10146	0.6
123.11723	0.5
127.03944	2.2
129.05457	0.4
133.04962	0.7
133.10150	0.4
138.08971	0.7
145.04970	1.2
145.10265	0.3
150.07590	0.7
159.02858	0.3
177.05527	0.4
181.08466	0.5
192.09828	0.4
196.17072	0.5
197.04295	0.6
213.03978	0.4
214.18005	2.6
226.14429	0.6
231.05038	0.9
233.60857	0.3
236.16199	13.4
237.02739	0.3
237.18515	0.4
241.07138	0.4
259.09558	0.5
266.13681	1.0
307.07916	0.6
308.15009	0.4
325.09036	2.5
335.14923	0.4
337.12671	1.1
345.08224	0.7
346.20020	1.0
355.13501	1.5
364.20935	1.8
379.13660	0.4
394.18594	1.1
407.20596	0.3
414.46796	0.4
422.17795	0.9
435.19937	0.7
440.18958	4.4
453.21146	1.7
492.25662	3.0
520.25305	1.9
538.26263	100.0
539.26965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05495	19.5
65.33802	4.5
67.05509	64.9
68.56707	4.6
69.07075	24.5
70.99577	6.7
70.99890	5.7
79.05508	38.3
81.07059	61.5
83.04980	12.6
83.08596	14.2
85.06536	6.4
91.05496	66.2
93.07042	39.7
95.04984	9.5
95.08620	27.3
97.06529	9.2
97.10178	10.3
105.07029	47.5
107.08614	30.5
109.06471	4.9
109.10165	39.0
111.08081	9.6
117.07001	12.0
119.08569	17.5
121.06527	6.5
121.10121	13.2
123.11713	11.3
125.09584	7.0
131.08543	13.3
133.10155	58.3
135.08093	5.4
135.11678	7.6
135.20195	6.0
143.08597	6.3
145.06500	6.2
145.10130	13.6
147.11670	6.8
149.09599	12.5
151.11163	35.2
159.11725	6.6
171.11708	7.0
173.09509	6.1
173.13379	6.5
183.13831	6.7
203.12778	7.2
237.06604	5.0
256.26404	10.5
419.29379	6.2
469.32925	20.3
501.35870	100.0
536.50336	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	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01870	0.8
55.05516	0.8
57.03430	0.6
58.56599	0.4
61.02924	0.6
67.05479	0.9
69.03420	1.9
70.06601	1.1
79.05492	1.6
80.00282	0.4
81.03423	0.8
81.07063	1.2
82.25873	0.4
84.08146	0.7
85.02898	5.1
86.09700	1.3
86.36886	0.6
87.04445	0.5
91.05475	3.4
92.08420	0.5
93.07040	1.8
94.04184	1.3
95.04952	0.5
97.02881	2.1
98.20734	1.1
103.05472	1.7
103.56966	0.4
105.06399	0.6
105.07035	5.3
107.04962	0.7
107.08609	0.7
109.02874	0.6
109.06518	1.7
109.10280	0.5
111.07230	0.4
115.05449	1.7
115.67061	0.4
117.07030	1.9
119.04963	0.9
119.08584	2.5
120.08094	0.7
121.06532	3.0
121.10188	0.8
122.03651	3.9
127.03931	1.0
129.07001	0.9
130.04147	0.6
131.04916	1.8
131.08589	0.9
132.05724	1.4
133.06479	4.3
133.10173	0.7
137.05980	100.0
144.05673	0.7
145.04982	1.3
145.06491	2.7
145.10092	1.0
147.04398	1.7
147.08026	2.2
149.05978	5.7
149.13239	0.7
151.07494	0.9
157.06471	0.6
159.08084	2.7
160.05237	0.8
161.04623	0.9
161.05986	16.5
162.06754	1.4
163.07530	1.0
172.05171	0.7
173.05995	1.8
175.07544	24.9
177.09093	0.8
179.07013	1.7
184.05351	0.5
187.07545	6.4
189.09151	0.6
190.07707	0.8
191.08493	4.0
193.08594	6.6
199.07542	3.2
203.08597	2.3
205.08604	3.8
208.08842	0.7
210.06616	0.6
214.18953	0.8
217.08527	1.2
218.07211	1.0
219.08083	7.0
220.08849	0.9
225.09091	0.6
231.08098	2.2
235.07594	0.8
236.08348	0.9
237.09117	0.7
247.07571	3.2
248.08406	1.2
251.10696	11.9
253.08649	0.7
259.07596	1.5
260.08249	0.7
261.09210	0.6
263.10709	1.2
264.07950	1.5
265.08615	0.7
269.11847	0.9
276.07547	0.7
279.10153	10.2
280.11053	0.7
281.07932	0.7
291.10172	4.1
292.11136	0.6
296.10480	1.4
297.11212	0.8
303.05017	0.5
309.11264	0.7
311.12784	27.7
323.12778	10.0
329.13748	4.2
341.13828	10.6
359.14807	0.9
413.55774	0.5
457.30164	1.4
475.31418	4.7
479.14246	0.8
492.47238	0.5
538.23022	0.5
538.30896	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	536.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	31.6
57.03434	4.6
57.07059	15.2
61.02918	8.8
66.25489	3.1
67.05510	42.4
69.07073	53.9
69.46235	23.9
69.46643	7.5
71.04977	4.4
71.08630	12.0
76.58739	3.8
79.05508	20.6
81.07056	50.5
83.08627	33.4
85.10157	4.9
86.09713	8.1
88.12354	3.3
91.05460	3.2
93.07049	29.1
95.08610	41.6
97.06541	10.2
97.10170	24.2
104.10751	5.5
107.08618	20.8
109.10152	22.0
111.08076	5.8
111.11745	7.7
121.10147	40.1
123.11742	5.1
135.11693	28.4
137.13281	4.9
141.82748	3.6
149.13248	12.7
151.14832	8.3
163.14836	4.5
164.88803	3.6
165.16357	4.3
177.16382	3.4
180.49632	3.1
183.88713	3.3
184.07388	24.5
247.24246	47.8
265.25262	89.6
275.20258	4.1
283.26227	14.8
293.21170	7.2
299.06223	4.3
339.28949	100.0
357.30087	34.1
415.04407	4.3
473.02905	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	536.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
55.50414	1.0
57.03444	0.9
61.01148	7.3
63.00752	0.8
67.05502	4.9
68.05046	1.3
69.03440	5.3
69.07063	3.3
70.06596	81.3
70.77325	1.5
71.04990	3.0
71.06931	4.7
72.08157	7.0
73.02934	1.2
79.05499	2.5
81.03407	3.1
81.07060	6.8
84.04498	4.3
84.08151	8.5
85.02919	9.4
85.08499	1.1
86.02441	1.7
86.06059	1.9
86.09715	5.2
87.00838	2.5
87.04451	0.8
88.07635	100.0
91.05504	1.3
93.07054	4.5
95.04959	1.2
95.08610	6.3
97.02886	4.1
98.06049	3.5
101.07150	1.5
105.01851	1.2
105.07027	2.4
107.08592	3.1
109.02861	1.8
109.10145	2.4
114.05529	6.9
118.06889	31.8
119.07263	3.9
119.08544	1.3
120.06451	3.2
120.08118	1.6
121.02890	1.5
121.10155	2.2
123.11718	1.5
126.05508	2.3
127.03938	2.9
129.06635	1.2
129.10251	4.8
130.06534	3.0
130.08644	3.1
131.08606	0.8
132.08087	1.3
133.10138	1.0
135.08051	1.1
135.11699	2.2
137.05975	1.1
141.10262	0.9
145.10066	0.9
147.11423	2.5
149.13289	1.4
153.01814	0.9
159.02878	1.9
159.09229	4.5
159.11789	1.4
160.09482	1.4
163.09023	3.3
165.12752	0.8
170.11823	1.8
183.11276	1.8
183.14934	3.4
186.12271	1.2
188.07104	0.7
196.13316	0.8
198.14871	1.3
200.14000	1.2
204.13446	5.4
205.13878	0.9
211.14404	1.1
212.16531	1.1
214.14365	1.0
217.15729	0.9
231.05043	0.9
235.16911	1.8
246.12663	2.2
271.15308	1.9
274.12231	5.3
275.12436	2.1
280.22681	1.0
287.05524	24.9
288.05856	41.4
320.25821	9.5
338.26901	34.8
356.27966	27.8
373.19162	3.8
374.19333	2.0
374.29031	56.1
377.01831	2.3
382.40012	0.9
414.27304	1.1
458.21021	1.5
511.32739	4.0
512.32684	3.6
527.28607	1.2
535.79547	3.7
536.29883	3.5
559.27203	0.8
560.27844	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	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.4
58.06594	0.4
60.07893	0.4
60.08168	5.5
67.05499	0.5
69.39497	1.7
71.07381	3.1
79.05458	0.3
81.07052	0.8
86.09710	29.4
98.98473	2.8
104.10741	2.6
125.00014	21.9
145.83591	0.2
148.36256	0.2
182.08450	0.2
184.07349	100.0
185.07651	0.4
194.58803	0.2
297.92386	0.3
441.82880	0.3
466.36514	0.2
500.31500	1.2
518.32434	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	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05041	0.5
57.03435	0.3
58.06610	0.4
60.08164	6.0
62.16807	0.2
67.05514	1.1
69.07070	0.6
69.38858	0.2
69.39185	1.7
71.07381	2.6
73.02940	0.3
73.04726	0.2
79.05516	0.6
81.07066	1.5
82.07391	0.4
85.02915	0.5
86.09710	27.7
91.05482	0.2
92.56094	0.2
93.07041	0.7
95.08592	0.8
97.02902	0.4
97.06528	0.3
98.21505	0.4
98.97831	0.3
98.98469	2.8
104.10749	3.2
105.07043	0.4
107.08619	0.6
109.10174	0.4
121.10131	0.4
125.00012	20.1
140.12268	0.2
143.01018	0.2
143.11359	0.2
145.10179	0.2
162.85136	0.2
184.07347	100.0
185.07677	0.2
228.13287	0.2
299.06232	0.5
452.80319	0.2
500.31403	0.7
503.09903	0.2
518.32452	7.8
536.28101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	14.4
55.01861	12.6
55.05509	13.6
56.96561	10.0
57.03428	7.0
57.07080	55.5
59.04989	4.3
59.29727	4.0
61.02922	6.9
67.05515	35.4
69.03441	38.2
69.07077	29.0
70.06593	21.1
71.04988	14.2
71.53593	4.7
73.02886	4.6
79.05505	36.6
81.03413	26.2
81.07063	74.0
82.71195	4.4
83.04982	72.7
85.02908	37.7
85.06546	77.1
86.09705	18.9
87.00832	12.7
91.05486	28.4
93.07049	61.1
95.04973	82.7
95.08606	23.0
97.02896	24.6
97.06533	62.8
98.97546	6.2
99.04478	20.8
102.05542	4.3
103.05422	5.2
105.01880	8.5
105.07034	75.5
107.04952	14.7
107.08599	37.0
109.02869	22.0
109.06522	33.4
109.10138	14.7
111.08067	5.6
113.06012	4.6
117.07014	13.1
118.06846	6.4
119.04895	9.3
119.08577	23.9
120.08117	9.7
121.06498	37.9
121.10129	17.2
123.04371	5.0
123.08012	7.0
123.11685	8.6
125.05998	76.9
125.09647	6.9
127.03942	39.5
127.07528	10.1
128.06203	4.4
128.21181	4.5
129.10168	4.6
130.07782	5.1
131.08556	19.7
133.06445	9.7
133.10155	27.0
135.04424	5.2
135.08063	30.0
135.11671	12.8
137.05942	12.8
137.13202	10.4
143.07056	74.5
143.08548	10.0
144.09357	5.3
145.04935	12.0
145.06488	12.6
145.10127	100.0
147.08023	7.7
147.11690	13.2
149.09688	7.2
151.07521	18.3
151.11205	31.9
153.05594	5.7
153.09094	31.9
155.08585	10.3
158.07339	6.6
159.02904	6.3
159.08008	10.9
159.11678	45.8
161.06158	4.5
161.09598	8.8
161.13284	7.0
161.51807	4.0
162.05423	7.1
163.03868	10.3
163.11195	27.5
167.97139	4.3
169.10114	12.1
171.10201	15.5
172.08784	4.7
173.09642	65.9
177.12701	14.6
179.10658	5.2
183.13821	5.6
187.11201	75.5
189.12801	6.4
189.16402	6.0
191.10693	37.5
197.09555	7.2
205.12257	65.1
207.13783	4.8
209.11693	16.4
215.07057	8.1
215.10699	69.8
217.15878	13.3
217.19513	5.1
223.13272	7.0
223.16925	44.0
231.04959	4.7
233.11729	90.9
235.16914	82.3
246.98950	4.5
251.12807	55.9
253.18098	24.9
259.09668	12.4
269.13791	27.4
271.19199	7.3
271.22641	6.9
293.13394	7.0
299.06168	10.1
312.13297	7.1
333.11615	5.5
356.28143	6.1
369.14612	8.0
377.15994	30.1
395.17004	20.0
413.18103	55.9
427.63712	6.3
500.61984	5.5
536.21252	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	535.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04891	0.3
55.01850	0.3
55.05476	0.6
57.03397	0.3
62.88390	0.3
65.03841	0.3
65.11299	0.3
67.05450	1.5
69.03378	1.1
69.07051	0.5
69.38333	1.9
70.06544	1.3
71.04969	0.6
76.02178	0.3
79.05443	0.8
81.03376	0.4
81.07068	2.9
83.04921	0.7
83.08589	0.3
84.08121	0.4
85.02847	1.3
86.09656	0.3
87.00816	0.6
91.05427	0.9
93.06973	1.2
95.04919	0.8
95.08611	1.7
97.02836	0.8
97.06524	0.4
101.05927	0.3
105.06973	0.9
107.08528	0.8
109.02823	0.5
109.10105	1.3
111.39924	0.3
118.06809	0.8
119.08524	0.8
121.10088	0.7
123.11692	0.5
127.03845	0.4
131.08542	0.6
133.10155	1.5
135.11676	0.5
137.02296	0.3
137.05974	0.5
137.09560	0.6
147.11626	0.3
149.13263	0.3
179.04771	0.8
185.04292	0.4
191.14287	0.7
203.05263	0.7
213.09381	0.3
215.17839	0.8
233.19135	0.6
237.28926	0.3
251.20125	0.9
259.07855	1.1
269.13702	2.2
269.21249	2.2
287.05505	1.3
295.06583	0.3
303.05090	0.3
308.09027	0.4
311.12778	0.4
377.37164	0.3
431.18909	100.0
432.19235	0.6
470.65726	0.3
489.22980	1.0
517.22955	1.9
535.23700	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2155
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
59.05007	0.6
63.41088	0.5
70.06600	1.1
70.87843	1.2
76.30369	0.4
79.05496	0.6
81.07058	0.8
84.08156	0.6
85.02889	0.5
88.07644	0.9
105.07048	0.7
116.68810	0.5
192.30894	0.5
397.18143	0.5
471.69220	0.6
531.29059	0.6
535.21527	100.0
536.21844	0.8
541.55273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
57.03418	0.3
57.20074	0.3
61.01160	0.3
67.05496	0.6
69.03421	0.8
69.07059	0.3
69.40038	1.5
70.06597	1.3
72.08139	0.3
79.05507	0.4
80.13667	0.3
81.03401	0.3
81.07056	1.2
83.08594	0.4
84.04482	0.3
84.08141	0.5
85.02901	0.6
85.06548	0.3
86.09702	0.7
91.05466	0.6
93.07084	0.4
95.08615	0.7
97.06501	0.4
98.97604	0.3
105.01896	0.3
105.07052	0.6
107.08585	0.5
109.10143	0.4
118.06877	0.5
119.08559	0.4
121.06479	0.4
127.03956	0.4
131.08607	0.3
133.10118	0.6
135.04466	0.3
135.08160	0.3
137.05965	0.4
149.58717	0.3
153.80574	0.3
162.06859	0.3
175.07520	0.4
185.04173	0.3
203.05240	0.7
213.08888	0.3
241.12498	0.4
259.07861	0.9
269.13678	1.2
269.21243	0.7
287.05563	1.6
287.12567	0.3
311.12753	0.8
395.05008	0.3
431.18909	100.0
432.19504	0.3
517.22308	0.8
530.52533	0.3
535.23871	7.0
545.86926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01873	1.5
55.05483	0.3
56.96551	0.2
57.03438	0.9
61.01125	0.2
61.02930	1.0
65.03903	0.2
67.05470	0.4
67.05792	0.1
68.99803	1.1
69.03433	6.2
69.07049	0.1
69.34565	1.0
70.06593	2.6
71.01326	0.2
71.04999	0.9
72.08129	0.4
73.02914	1.3
79.05454	0.4
81.03421	7.0
81.07025	0.5
83.01314	0.2
83.04945	0.1
84.08147	0.6
85.02908	10.8
85.06526	0.2
86.09714	0.6
87.00835	4.7
88.07639	0.8
91.03912	0.5
91.05468	0.3
93.07007	0.3
95.04936	0.2
95.08562	0.4
97.02895	4.0
98.05102	0.1
98.05995	0.1
98.97543	0.2
99.03863	0.2
99.04452	2.4
101.02394	0.1
105.01871	2.8
105.03361	0.2
105.06979	0.3
107.04900	0.3
107.08539	0.3
109.02156	0.3
109.02883	5.7
109.10107	0.2
111.00829	0.9
115.03951	0.1
117.01864	1.0
118.06882	1.6
119.08512	0.3
119.09554	0.1
120.08080	0.1
121.02866	2.4
121.06501	0.2
121.10124	0.2
121.80513	0.1
123.00775	0.1
126.05509	0.1
127.03922	8.4
129.01836	0.7
129.06982	0.1
129.10217	0.2
131.00134	0.2
133.02809	0.3
134.10400	0.1
135.04376	0.2
135.11659	0.2
137.02353	0.8
137.05968	0.1
141.07008	0.2
143.08521	0.1
145.04961	2.6
145.06564	0.2
145.10083	0.2
147.02872	0.5
147.04370	0.8
147.11658	0.2
149.13211	0.1
153.01833	3.7
157.06427	0.3
158.60532	0.1
159.02899	4.3
159.09119	0.3
159.11708	0.1
161.05997	0.2
163.03874	0.1
163.09064	0.1
165.01839	1.6
171.04434	0.2
177.03931	0.1
183.02875	0.9
183.11348	0.1
185.05965	0.4
197.05823	0.2
203.03427	0.2
203.07025	0.2
204.13409	0.3
213.03836	0.3
213.05568	1.2
215.18031	0.2
231.04616	0.9
231.06721	0.4
233.19122	0.1
241.04932	0.8
246.12753	0.2
251.20074	0.3
258.05267	1.1
259.05994	0.4
267.09131	0.2
269.21204	0.2
274.12183	0.3
286.04712	0.2
287.05502	100.0
288.05777	0.5
311.12717	0.2
329.06555	0.4
336.25327	0.5
354.26306	0.5
372.27518	0.2
373.19067	0.2
431.18994	0.3
485.16754	0.1
511.32339	0.3
517.22369	0.2
535.21545	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	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.05034	0.4
58.06387	0.1
58.06630	0.4
59.07399	0.2
60.08166	6.3
67.05518	0.2
69.07094	0.1
70.06612	0.2
70.49019	0.4
71.07378	3.0
73.44926	0.1
79.05495	0.3
86.09710	29.0
91.05492	0.2
93.07058	0.3
98.98465	2.6
104.10743	2.8
105.07040	0.2
107.02730	0.1
110.81165	0.1
119.08560	0.2
125.00008	19.7
136.52527	0.1
168.71115	0.2
184.07349	100.0
185.07617	0.3
307.49075	0.1
396.58664	0.1
454.50528	0.1
498.29816	1.1
516.30920	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	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02504	4.1
53.03941	4.5
55.05514	19.5
57.03444	4.6
57.07073	8.9
66.10527	4.3
67.05508	90.4
69.03433	4.8
69.07080	23.4
69.31979	29.4
71.05005	4.6
75.29261	3.7
78.88815	4.8
79.05499	27.9
81.07057	100.0
83.08652	25.2
85.02919	12.3
88.69006	3.7
90.40855	4.6
91.05491	19.6
93.07068	29.1
95.08614	69.6
97.02908	6.7
97.06522	8.9
97.10194	13.3
98.20736	7.6
105.07033	15.0
107.08595	19.4
109.10161	38.4
119.08600	17.9
121.10146	20.8
123.11722	18.1
133.10152	16.2
135.11678	11.4
137.13258	11.4
141.12810	4.9
146.82631	4.6
147.11699	14.2
149.13249	8.2
161.13271	14.2
163.14838	11.8
165.16351	6.0
175.14865	12.5
184.07405	6.9
245.22685	52.4
263.23703	81.5
329.50748	4.3
337.27432	41.0
353.24759	4.8
355.28418	9.6
371.25787	11.3
389.26782	8.4
407.27933	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	535.1088
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03959	1.9
55.01869	1.6
55.05496	0.2
57.03447	1.1
61.02929	1.1
65.03951	0.3
67.01877	0.2
67.05479	0.3
68.99789	1.5
69.03436	5.3
69.18896	0.7
69.19317	1.2
70.06599	1.6
71.04977	0.6
72.08130	0.3
73.02915	1.2
79.05438	0.3
80.94672	0.2
81.03423	7.4
81.07045	0.4
85.02911	11.2
86.09683	0.6
87.00839	4.7
88.07607	0.9
91.03905	0.6
97.02902	3.6
98.21475	0.3
99.04457	2.4
105.01875	2.9
105.03350	0.3
105.07015	0.4
106.68237	0.2
107.04932	0.2
107.08527	0.3
109.02890	6.4
109.10142	0.4
111.00794	0.4
112.99178	0.2
115.03934	0.4
117.01841	0.8
118.06864	0.7
119.08587	0.3
121.02879	2.0
121.10134	0.4
123.11581	0.2
123.37425	0.2
127.03922	8.5
129.01811	0.7
133.06467	0.2
133.10094	0.2
135.04427	0.2
137.02319	0.7
145.04971	2.9
147.02879	0.6
147.04387	0.6
153.01830	2.8
157.06459	0.2
159.02911	4.2
165.01822	1.7
171.04337	0.3
183.02872	0.7
185.05887	0.5
189.05429	0.3
213.05563	1.3
231.04984	0.9
231.06863	0.3
241.05003	0.6
258.05194	0.9
259.05972	0.5
269.21158	0.4
286.04803	0.4
287.05511	100.0
288.05768	0.5
329.06726	0.2
336.25180	0.3
341.01422	0.2
354.26614	0.3
372.27603	0.4
431.18878	2.4
485.17575	0.2
535.21527	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	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
56.14418	0.2
57.03437	0.2
58.06362	0.2
58.06628	0.5
59.99581	0.2
60.08166	6.5
67.05505	0.2
69.03428	0.3
70.58781	0.5
71.07374	3.0
79.05497	0.3
81.07056	0.5
86.09706	31.6
86.95285	0.2
91.05497	0.3
93.07057	0.4
95.08604	0.4
96.13525	0.2
98.21608	0.2
98.98472	3.0
104.10055	0.3
104.10748	4.2
107.08628	0.2
125.00008	22.5
135.11685	0.2
143.01067	0.2
184.07341	100.0
185.07701	0.3
199.01236	0.2
258.11084	0.4
516.30975	1.3
534.31952	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71787	0.2
56.05035	0.8
58.06358	0.2
58.06622	0.5
60.08166	6.6
66.16058	0.1
67.05508	0.2
69.20146	1.6
71.07370	2.9
79.05490	0.2
81.07072	0.2
85.66893	0.2
86.09708	30.6
95.08600	0.2
98.98474	2.7
99.08111	0.2
104.10751	3.9
109.91370	0.2
125.00009	20.4
143.01036	0.2
150.48286	0.2
173.96475	0.2
184.07344	100.0
258.10953	0.2
265.65991	0.2
275.70462	0.2
355.40201	0.2
516.30951	1.1
534.31964	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	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.2
56.05035	0.4
56.96570	0.2
57.03423	0.3
58.06625	0.4
59.07121	0.1
59.07383	0.2
60.08168	6.5
67.05509	0.4
69.03430	0.2
69.07079	0.3
69.07441	0.1
69.24239	1.0
69.24654	0.3
71.07378	2.9
72.08157	0.5
79.05497	0.5
81.03415	0.2
81.07049	0.4
86.09710	30.1
91.05509	0.4
93.07040	0.3
95.08618	0.4
97.02893	0.1
97.06564	0.2
98.97520	0.2
98.98472	3.0
104.10748	3.0
105.07053	0.3
107.08613	0.4
109.10146	0.3
119.08602	0.3
121.10171	0.2
125.00011	20.3
133.10127	0.2
138.38115	0.1
143.01031	0.1
184.07347	100.0
209.47977	0.1
220.95920	0.1
258.10931	0.3
285.09836	0.2
365.23129	0.5
410.23611	0.2
498.29657	1.0
516.30859	6.3
534.32117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01869	3.8
55.05505	8.2
61.21453	1.3
62.77706	1.3
64.54254	1.3
67.05502	5.9
69.03429	7.2
69.22748	10.7
69.23172	4.4
70.06598	3.9
71.04984	2.8
71.55229	1.5
72.08168	2.2
79.05502	3.4
81.03413	11.1
81.07063	5.9
83.04984	100.0
85.02901	13.0
86.09708	18.3
87.00822	3.9
91.05479	5.6
93.07038	12.0
95.04971	71.5
95.08607	2.5
97.02908	5.1
97.06554	2.5
99.04473	3.6
105.01862	3.7
105.07031	6.7
107.08625	4.3
109.02882	5.3
109.06526	2.7
109.10143	3.2
117.06979	2.0
119.08616	2.7
127.03922	9.0
131.08565	2.8
133.10132	5.2
135.08066	6.4
135.11743	1.5
141.10345	1.9
145.04979	3.0
145.10129	2.8
151.11197	5.1
153.09123	29.8
155.08441	1.7
159.02991	1.9
159.11711	2.7
160.07660	3.6
161.06065	2.5
171.04494	1.7
171.10167	46.8
185.13191	1.7
197.13277	3.2
203.08241	3.6
203.14244	2.1
215.14374	4.3
220.09705	4.9
221.15387	19.2
233.11903	1.6
233.15378	14.9
251.16502	9.6
263.10199	3.6
269.17651	1.8
305.18616	2.0
354.26425	1.8
393.21274	5.2
401.14130	2.1
417.04825	2.1
419.15793	2.4
421.20795	3.0
431.18570	2.1
506.29733	3.1
534.26288	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	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.8
57.03425	0.6
58.06586	0.4
59.83142	0.3
60.08166	6.7
67.05498	0.7
70.25224	0.6
70.25574	0.9
71.07379	3.8
79.05477	0.5
79.87328	0.3
81.07037	0.7
86.09711	36.0
92.08015	0.4
93.07043	0.7
97.06507	0.4
98.98484	3.3
104.10747	6.8
109.10154	0.5
121.10226	0.4
125.00016	22.2
134.78600	0.3
137.05962	0.4
149.02345	0.3
184.07355	100.0
253.82503	0.3
258.11008	0.7
343.73654	0.3
516.30890	2.5
534.31982	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05021	0.4
58.06626	0.6
60.08165	6.2
67.05505	0.5
70.17117	0.8
71.07378	2.7
76.13309	0.3
79.05468	0.5
81.03396	0.5
81.07047	0.7
86.09708	30.8
91.05456	0.4
95.04948	0.3
95.08599	0.3
97.06504	0.2
98.98469	2.7
104.10744	4.9
105.07059	0.3
107.08599	0.2
109.10242	0.2
112.62029	0.2
116.93345	0.3
125.00008	20.2
133.10182	0.3
140.63306	0.2
184.07346	100.0
258.11011	0.3
516.30579	0.7
534.32001	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	533.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01873	4.3
55.05512	23.4
56.96558	2.8
57.03428	5.2
57.07069	6.0
59.04992	2.1
60.54592	1.6
61.02917	4.1
65.03921	3.4
67.05173	3.2
67.05509	34.1
69.03429	17.9
69.07073	44.3
70.06569	3.5
71.04980	9.6
71.08630	4.1
71.54649	2.0
73.02914	3.3
78.42039	1.8
79.05495	20.4
79.33340	1.9
81.03435	9.9
81.07059	100.0
83.04990	16.0
83.08612	10.7
85.02911	42.1
85.06548	12.9
87.00836	3.9
87.04466	2.6
91.03963	2.3
91.05494	14.4
93.07055	43.2
95.04963	15.6
95.05509	2.5
95.08611	82.5
95.85256	1.8
97.02897	14.8
97.06519	18.6
97.10188	17.1
98.97594	5.0
99.04437	5.3
99.08089	4.6
104.07068	2.1
105.07032	26.2
107.04968	3.5
107.08597	48.2
109.02877	6.8
109.06519	7.9
109.10165	28.0
111.04450	7.3
111.08105	14.4
111.11727	5.8
116.98609	3.5
117.03423	2.4
117.07022	2.6
119.08576	19.4
120.08079	3.3
121.06499	4.8
121.10148	32.3
122.07286	1.9
123.08069	10.1
123.11708	60.8
125.06006	8.7
125.09660	3.4
127.03905	14.8
129.05498	2.1
129.06953	2.1
131.08553	5.6
133.10135	15.4
135.08092	9.9
135.11697	21.1
137.05969	3.7
137.09683	4.0
137.13261	15.8
139.03906	2.6
139.11183	11.1
139.67618	1.9
141.12805	3.2
143.07050	5.1
143.08591	3.8
145.04997	13.1
145.05966	2.2
145.10124	12.8
147.08069	3.3
147.10007	1.9
147.11681	15.6
149.09637	2.2
149.13272	39.1
151.11189	4.3
153.01874	2.6
153.12753	7.8
157.05042	3.0
157.10173	5.0
157.12213	9.8
159.11649	11.5
161.13251	6.9
163.03912	6.5
163.11159	5.1
163.14824	8.7
165.12810	9.0
169.10173	1.8
171.13815	2.9
173.09630	5.5
173.13307	4.4
173.79355	1.8
175.14923	4.0
176.11957	3.7
177.12743	2.6
177.16316	2.6
185.13356	2.6
187.11186	5.8
187.13289	7.4
187.14758	2.5
189.07646	2.6
189.16418	2.9
191.10675	3.9
191.14311	50.3
193.15880	4.7
199.14873	3.1
203.12827	7.1
203.17989	2.8
205.12282	5.6
209.15474	5.8
209.18933	1.9
213.16330	3.8
215.07011	4.8
215.10786	4.1
224.57669	2.1
233.11665	4.5
249.18564	4.3
251.12823	4.8
259.09717	10.4
267.09018	2.3
269.22650	3.7
275.23682	4.1
277.25400	3.5
285.10022	3.0
287.23697	11.8
293.24664	6.5
295.15228	1.9
305.24750	50.1
323.25720	11.6
341.16101	3.9
343.17514	14.7
369.12167	2.5
371.20505	5.7
401.11560	2.8
461.28708	4.6
467.30365	8.6
479.30142	11.4
485.31287	2.4
497.30984	7.4
533.26349	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	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
53.43125	0.7
55.01868	3.3
55.05518	3.0
56.96565	0.8
57.03439	7.2
59.04998	0.7
61.02925	11.9
65.03941	0.8
67.05495	2.6
69.03432	29.0
69.07075	9.0
69.33614	3.9
69.34023	1.1
71.05002	6.0
72.69530	0.7
73.02911	4.4
79.05499	3.0
81.03423	13.5
81.07077	3.9
83.01353	0.9
83.05008	3.3
83.08617	1.9
84.05368	0.7
85.02908	100.0
87.04473	4.1
91.03947	6.3
91.05480	3.4
93.07052	5.0
95.04964	6.6
95.08619	6.1
97.02895	33.3
97.06539	5.8
98.97578	1.0
99.04460	5.3
105.07034	3.6
106.88865	0.6
107.04976	1.7
107.08604	6.8
109.02882	11.5
109.06519	5.6
109.10169	1.8
111.04450	1.3
113.06008	0.9
115.03964	1.4
119.08575	5.3
121.06521	3.7
121.10152	4.1
122.07304	2.7
123.08067	21.0
123.11683	1.1
125.05990	1.0
127.03923	28.2
131.08563	1.5
133.10141	6.1
135.08060	27.8
135.11703	3.7
137.09636	1.8
142.83649	0.7
145.04967	41.4
145.10123	1.9
147.08038	0.9
147.11719	2.5
148.08841	1.1
149.09641	2.1
149.13286	1.8
151.07547	8.8
152.07851	5.1
159.11539	0.7
163.03951	2.8
163.06018	6.4
163.11195	0.7
163.14883	1.4
165.12766	22.0
165.14177	1.3
171.06598	1.8
173.09648	0.8
173.13312	0.9
175.14819	4.0
176.11986	2.8
177.12782	0.8
184.07281	1.1
189.07623	3.3
191.14317	91.0
193.07019	0.7
193.15886	13.6
194.08943	0.8
207.13811	4.3
209.15376	15.6
215.07077	0.8
235.09865	0.6
253.56223	0.7
259.09656	2.0
268.04749	0.6
291.69766	0.6
309.17023	1.1
327.11057	0.6
353.19659	3.8
371.20679	10.7
533.25989	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01875	1.0
61.02895	0.8
67.05499	0.6
67.38007	0.7
69.03429	1.9
69.59211	3.4
70.06589	1.7
71.04972	1.0
75.10442	0.5
78.04704	2.8
78.35200	0.6
79.05141	0.6
79.05505	6.9
81.03382	1.0
81.07056	1.4
83.04996	0.6
85.02908	5.1
86.09705	1.2
86.75424	0.6
89.03938	0.6
91.05491	4.9
95.04950	0.7
97.02908	1.4
103.05458	2.6
104.06261	0.7
105.04520	0.8
105.07039	7.9
106.04185	2.1
107.04964	15.4
107.08609	0.8
109.02872	1.0
109.06514	0.8
115.05482	3.9
117.07001	1.6
118.04160	1.4
119.04914	1.0
119.08573	1.7
121.06499	1.6
121.10203	0.6
122.03659	1.1
123.04446	5.7
124.05226	4.2
125.06008	0.6
127.03954	0.7
128.06203	3.1
129.05547	0.9
129.07031	7.2
129.38335	0.5
131.04947	3.8
131.08553	0.7
132.05704	2.5
133.05779	0.5
133.06523	5.2
136.07600	1.0
137.05977	1.7
140.04709	0.6
141.07021	0.9
143.65823	0.7
144.05710	1.5
145.06497	2.2
145.10075	0.7
147.04437	0.8
147.08051	2.6
147.11685	0.7
148.73792	0.6
149.05956	1.0
151.03935	1.6
152.04669	2.4
153.05458	2.1
155.04878	0.8
156.05708	1.5
157.06367	0.6
159.08076	6.6
160.05174	1.2
161.05995	9.7
163.03886	0.7
167.07051	100.0
169.06537	1.0
171.08102	1.2
172.05171	3.2
173.05917	0.6
175.07568	23.4
176.04713	1.2
177.05511	1.9
178.07784	1.5
179.07007	0.9
184.05219	1.7
187.07558	23.1
189.07159	1.1
189.09116	2.0
190.07742	1.0
191.07050	9.1
191.08604	1.3
191.99341	0.6
192.07837	1.0
199.07542	9.9
202.07811	1.7
203.08588	3.3
205.06610	1.1
206.07298	1.7
207.08022	0.7
209.08095	2.5
215.08606	2.1
217.06540	1.0
217.08638	1.4
218.07246	2.9
219.08026	2.3
220.08806	1.0
221.09641	3.6
229.06577	1.3
231.08052	2.4
232.08839	1.0
233.06100	0.8
233.09605	2.7
234.06876	2.2
235.07582	2.1
243.08167	0.8
245.06013	1.1
246.06674	1.7
247.07559	2.2
248.08308	1.1
249.09183	5.2
250.09869	1.5
251.07094	1.9
259.07639	0.6
260.08322	2.0
261.09055	5.1
262.09961	0.7
263.07056	1.9
266.09344	0.7
274.06329	0.6
275.07001	0.8
276.07791	0.7
277.08585	3.5
278.09387	1.6
279.06757	0.7
281.11789	8.0
287.05579	1.1
289.08563	4.5
290.09406	1.2
291.06726	1.0
291.10199	1.5
291.79285	0.6
293.11743	2.3
294.08841	1.3
306.08981	1.4
307.09534	0.8
309.11169	10.3
310.11975	1.1
311.09073	0.7
321.11252	8.8
322.11871	1.3
325.14374	1.4
326.11478	2.0
341.06680	1.8
341.13855	27.6
353.13855	12.2
353.18192	0.6
361.02161	1.5
371.14832	1.2
402.92676	0.9
501.19485	1.8
533.21265	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	532.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.1
55.05508	0.1
56.05039	0.6
58.06623	0.5
59.07381	0.1
60.08167	6.9
62.03733	0.1
67.05497	0.3
69.07066	0.3
70.06602	0.1
70.27385	0.1
70.47800	0.2
71.07379	3.4
79.05494	0.3
81.03419	0.2
81.07066	0.4
85.02901	0.1
86.09711	32.5
91.05470	0.3
93.07043	0.3
95.04987	0.1
95.08617	0.2
97.06571	0.1
98.98468	3.1
101.18783	0.1
104.10749	4.0
105.07038	0.2
107.04949	0.1
107.08574	0.1
109.10156	0.1
117.07066	0.1
119.08593	0.1
125.00010	22.2
131.08557	0.2
133.10141	0.2
135.11653	0.1
143.01091	0.1
147.11790	0.1
166.02704	0.1
184.07349	100.0
185.07689	0.2
247.80516	0.1
258.11035	0.3
275.19943	0.1
349.23529	0.1
388.09030	0.1
514.29279	0.8
532.30371	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	532.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	0.4
58.06628	0.5
58.24764	0.1
59.07384	0.1
60.08164	6.9
67.05503	0.3
68.98082	0.1
69.07063	0.1
70.20798	0.3
70.21190	0.2
71.07374	3.4
73.97024	0.1
79.05495	0.2
80.97386	0.1
81.03419	0.1
81.07037	0.3
86.09707	33.5
91.05480	0.3
93.07039	0.2
94.06342	0.1
95.08624	0.1
98.98464	3.1
104.10748	3.6
105.07015	0.3
107.04919	0.1
111.17271	0.1
117.07061	0.1
119.08591	0.1
125.00007	22.3
184.07344	100.0
185.07582	0.1
258.11050	0.3
332.72195	0.1
349.23938	0.2
427.15070	0.1
462.77621	0.1
514.29279	1.1
532.30365	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	532.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05030	0.5
57.03458	0.3
58.06355	0.2
58.06623	0.6
59.07390	0.2
60.08167	7.0
67.05502	0.4
71.07375	3.3
79.05489	0.7
81.07053	0.5
81.18275	0.1
86.09711	32.7
91.05486	0.4
93.07036	0.2
95.08619	0.3
97.06568	0.2
98.98466	3.1
104.10752	6.3
105.07020	0.2
107.08607	0.3
121.10178	0.2
125.00010	22.5
143.01056	0.2
149.09636	0.2
153.22758	0.2
153.76329	0.1
166.02675	0.2
184.07350	100.0
229.56207	0.2
258.11060	0.4
323.33020	0.2
396.28540	0.2
514.29205	1.0
532.30389	9.1
558.77057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03844	0.4
69.24529	3.4
69.88885	0.5
72.39826	0.4
84.08158	0.4
91.05479	0.9
94.33772	0.5
98.20753	1.1
115.05506	0.7
117.05758	0.5
117.07037	1.1
118.06552	16.7
122.99136	0.5
130.06560	1.7
132.08096	4.8
142.06532	1.4
143.07291	2.0
144.04544	0.5
144.08093	12.1
146.06021	58.2
147.06322	1.1
159.09206	5.8
160.07567	0.8
165.11244	0.6
170.06023	3.2
188.07077	100.0
189.07442	1.1
190.07617	0.8
205.09740	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	531.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14758	1.6
53.03934	1.9
55.01878	3.0
55.05506	6.8
57.03434	6.7
57.07080	1.9
63.88433	2.0
65.03941	1.8
67.05511	20.1
69.07058	7.3
71.04973	1.8
71.08286	2.1
71.08641	15.3
71.53874	3.4
74.49426	1.6
79.05492	19.2
81.03402	2.8
81.07060	24.2
83.04971	3.4
83.08616	5.0
85.02892	4.3
85.06532	1.6
88.72430	1.7
91.05479	14.9
93.07046	25.2
95.04966	3.8
95.08622	15.5
97.06529	6.3
97.10189	2.2
99.08101	10.9
103.12820	1.6
105.07048	9.7
107.04956	3.2
107.08601	16.3
109.06501	2.4
109.10168	4.3
117.07013	4.6
119.08569	8.0
121.10189	13.1
129.07001	1.7
131.08582	3.3
133.10156	6.3
135.11688	10.5
137.09634	1.8
145.10133	3.5
147.11732	3.1
149.13243	3.4
151.11182	7.1
159.11696	3.0
161.13281	5.6
163.11189	3.2
164.08340	2.0
173.13292	2.5
179.14333	31.8
238.47081	1.6
257.39008	1.9
259.20599	2.9
277.21664	30.0
351.25311	100.0
357.43231	2.0
531.25989	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01866	5.8
55.05508	18.7
57.03436	21.4
59.05008	1.9
65.03929	2.4
67.05507	34.5
69.03436	8.4
69.07068	9.8
69.86491	6.5
71.04988	6.2
79.05498	35.0
79.38033	1.6
81.03420	87.1
81.07057	42.0
83.04980	22.7
83.08622	30.8
85.02914	30.6
85.06525	4.1
85.44432	1.6
91.05487	46.9
93.07046	24.5
95.04982	36.7
95.08623	14.1
97.02901	4.0
97.06523	9.4
97.10176	6.5
98.21402	3.4
98.97534	2.4
105.07037	31.4
107.04952	11.8
107.07981	1.7
107.08604	9.9
109.06535	9.1
109.10157	4.3
111.04433	4.5
111.08083	13.8
113.06007	5.1
113.97643	1.5
115.05454	1.9
117.06956	3.7
119.08591	28.5
121.06536	2.8
121.10158	12.8
123.08027	4.0
125.09637	2.0
129.07014	15.3
131.08569	19.3
133.06490	4.8
133.10133	18.3
135.11696	2.0
142.07738	3.9
145.10156	3.1
147.08063	4.0
147.11676	20.0
149.09622	9.9
157.10127	21.1
163.11139	2.2
165.12805	4.3
175.11205	20.2
177.68518	1.7
193.12244	72.0
211.13293	100.0
252.51318	1.6
267.15924	29.3
275.20078	2.2
276.20514	2.0
285.16962	98.8
290.85333	1.7
310.06833	1.8
350.23911	12.4
365.15640	3.6
365.65390	2.5
367.23013	2.1
437.34192	1.8
459.27411	10.3
477.28653	14.2
495.29581	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36132	1.0
55.01876	1.5
55.05236	1.2
55.05509	17.0
55.48038	0.9
57.03439	12.9
59.05007	31.0
61.02927	3.6
63.27050	0.9
65.03942	1.4
67.05510	57.4
69.03437	2.6
69.07079	5.2
69.98231	2.9
69.98637	1.7
70.06590	4.2
71.04989	4.1
72.08151	4.9
73.02930	1.1
79.05495	6.1
79.64143	1.1
81.03439	4.6
81.07063	11.4
83.04987	2.6
83.08618	7.1
85.02911	5.9
85.06535	2.6
86.09703	8.2
87.04476	62.6
91.03962	0.9
91.05490	4.2
93.07045	3.3
95.04994	2.1
95.08619	4.3
97.02890	3.2
97.06528	1.4
97.10184	7.2
99.04457	3.8
103.03957	2.3
105.07045	1.9
107.04908	1.3
107.08596	5.0
109.10165	59.5
111.04435	1.1
111.08080	3.2
117.07019	1.1
119.08564	4.0
121.06483	1.4
121.10115	1.1
124.07579	1.2
125.09657	7.5
131.08557	0.8
135.11699	1.0
137.09618	2.6
143.10724	1.0
145.10120	1.8
153.12766	1.4
155.10661	12.5
163.11188	2.1
173.11742	33.3
177.05385	1.0
191.56590	0.9
193.12189	2.0
197.12883	1.6
199.13400	1.0
217.14264	1.1
229.14365	100.0
257.13840	7.1
296.19775	3.0
302.15030	1.4
333.19086	5.3
357.10706	1.0
477.23071	2.8
495.24158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22635	0.6
53.03947	1.3
55.01868	4.6
55.05513	34.8
56.48530	0.7
56.96577	1.1
57.03441	14.5
57.07061	1.0
59.04708	1.5
59.05005	25.5
61.02924	3.8
65.03941	0.9
67.05507	52.3
69.03426	4.4
69.07069	6.8
69.28361	6.8
70.06586	0.8
70.90237	0.7
71.01353	0.9
71.05002	9.9
72.90041	0.8
73.02917	2.2
74.09718	1.2
79.05495	14.2
81.03413	6.8
81.07056	17.1
83.04987	5.8
83.08620	12.7
85.02908	8.1
85.06556	3.5
86.09698	2.1
87.04472	95.7
91.03970	1.2
91.05482	5.7
93.07045	6.5
95.04972	3.6
95.08617	7.7
95.74509	0.8
97.02891	5.7
97.06539	2.0
97.09553	1.4
97.10175	23.2
98.97582	1.0
99.04458	13.5
101.06005	1.1
103.03934	2.9
105.07052	2.9
107.04967	3.8
107.08612	10.3
109.02891	0.8
109.06506	1.7
109.10161	50.1
111.04448	3.1
111.08087	2.6
113.93948	0.7
115.03857	0.7
117.07039	1.5
119.08582	5.4
121.06543	1.2
121.10144	2.5
123.08092	0.9
125.09637	23.6
127.03912	1.0
129.07013	1.1
130.07681	0.6
131.08560	2.3
133.10107	1.8
135.11696	2.5
137.09618	4.0
143.10683	4.2
145.10126	3.5
149.09637	1.3
153.12752	2.4
155.10680	10.2
163.11208	5.8
164.10690	1.1
173.11752	33.1
181.12265	1.7
191.10690	2.3
191.14316	1.2
191.83476	0.7
192.10161	2.1
193.12248	1.7
199.13264	2.3
204.10254	1.0
208.16612	0.9
209.11688	1.9
217.14360	7.5
223.13345	2.3
223.55986	0.8
227.12831	1.7
229.14362	100.0
241.14363	2.2
245.13921	1.2
257.13782	4.4
267.16077	1.2
283.15302	1.8
315.17935	6.5
333.19070	33.8
339.12045	1.2
351.20090	3.7
448.51901	0.8
477.23175	3.2
495.23975	0.9
502.10452	0.8
530.21350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80797	0.7
54.11058	0.7
54.53732	0.6
55.01871	2.6
55.05272	1.0
55.05515	13.3
56.96564	1.1
57.03191	1.1
57.03441	10.9
59.05007	33.0
61.02918	3.3
67.05510	49.1
69.03419	2.5
69.07053	3.3
69.38970	1.5
69.39381	4.2
71.04997	7.1
73.02918	1.1
75.49389	0.9
79.05492	5.4
81.03410	4.2
81.07066	10.5
83.04996	1.2
83.08617	6.6
85.02914	9.6
85.06538	2.5
86.09713	0.9
87.04478	65.1
91.03928	1.0
91.05508	3.7
93.07051	3.9
95.04963	1.7
95.08607	4.9
97.02890	3.1
97.06516	1.2
97.10173	7.8
98.97588	3.1
99.04477	3.6
103.03948	1.9
105.07029	1.2
107.04903	0.8
107.08598	2.5
109.02863	1.0
109.10167	57.8
110.97585	0.9
111.04453	0.9
111.08080	2.3
115.03939	0.9
116.98624	1.3
118.79861	0.8
119.08578	5.7
119.30488	0.7
121.10161	0.8
125.09637	5.5
127.03890	1.3
129.05498	1.0
133.09999	0.8
135.11635	0.8
136.66556	0.8
137.09634	3.2
145.04924	0.9
153.12759	0.8
155.10672	11.2
158.99718	1.0
163.11290	1.1
165.15584	0.7
173.11768	33.5
191.91089	0.6
193.12267	2.4
217.14386	2.0
219.01874	1.8
222.24081	0.8
229.14372	100.0
237.02794	1.0
257.13879	7.7
265.10934	0.8
287.05539	19.1
288.05917	1.2
289.10983	0.9
307.12286	1.3
323.12427	0.9
325.13330	1.0
333.19110	5.0
349.99765	0.8
361.02286	0.9
409.15204	1.6
427.16418	1.4
451.16245	2.3
477.23251	3.4
494.19406	1.9
495.17688	1.3
495.24536	1.1
498.17651	1.0
512.20349	2.4
530.21857	1.3
541.18915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01864	4.9
55.05516	14.5
56.96562	5.1
57.03437	4.6
57.07064	1.1
61.02934	5.4
67.05510	23.0
68.87815	1.1
69.03433	5.1
69.07072	8.6
69.24223	1.1
69.42610	8.0
69.73940	0.9
71.05000	2.4
73.02917	2.5
79.05499	30.8
81.03421	6.0
81.07069	18.8
83.04987	10.6
83.08614	4.7
85.02938	5.4
85.06561	1.6
87.84782	1.0
91.03954	2.4
91.05486	16.4
93.07054	22.3
95.04974	3.5
95.08617	11.3
97.02892	3.4
97.06529	4.2
97.10162	7.8
98.97536	1.4
105.07039	18.2
107.04967	11.1
107.08610	24.4
109.02893	1.3
109.06523	2.0
109.10175	11.3
111.08091	2.2
113.17654	1.0
117.07034	6.1
119.08596	13.9
121.10159	8.8
123.08061	1.7
123.11729	2.3
125.09657	3.6
127.03910	1.7
129.06996	1.6
131.08563	7.2
133.10162	10.0
135.08049	2.4
135.11676	2.1
137.09579	1.2
143.08566	2.5
145.10121	4.3
147.11713	6.5
149.09625	22.1
149.13251	2.3
159.11720	4.1
163.11246	1.2
163.14903	1.8
169.12323	1.4
173.13263	1.4
175.11290	1.1
181.12292	1.5
189.11255	4.2
193.12323	1.7
197.13304	1.4
199.06413	1.5
209.15388	2.5
211.13341	1.3
217.07639	2.5
227.12662	1.2
229.07471	2.5
229.19518	2.4
243.09052	1.5
247.08635	1.6
255.08992	1.5
257.19037	3.6
267.08926	2.1
269.10556	5.1
273.03998	1.6
273.10114	1.7
275.20074	22.8
287.11697	2.0
293.21033	1.7
331.15982	1.2
349.16776	5.1
349.23755	100.0
367.17993	13.2
374.15906	3.8
385.19138	2.5
399.10388	1.7
399.20428	1.7
408.20367	1.6
480.22733	1.3
494.28049	2.0
529.19196	1.5
529.27600	1.3
529.35327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01876	7.6
55.05520	7.3
56.96564	1.1
56.97476	0.8
57.03441	5.2
58.15306	1.0
59.05015	1.2
61.02925	3.1
62.36528	0.9
67.05176	1.4
67.05512	19.4
69.03424	4.1
69.07074	16.1
69.26105	3.4
69.26527	5.0
71.05007	1.4
71.08626	1.9
72.60709	1.0
73.02911	1.8
79.05501	15.9
81.03422	10.4
81.07064	25.4
83.04971	3.9
83.08645	4.3
85.02913	5.4
85.06527	0.9
91.03967	1.1
91.05486	20.2
93.07054	13.0
95.01336	6.3
95.04987	5.8
95.08612	16.0
97.02903	3.7
97.06535	14.0
97.10159	3.2
98.21545	2.0
99.08080	2.7
101.02394	0.9
103.67372	0.9
105.07038	26.0
107.04952	8.1
107.08607	8.1
107.83167	0.8
108.34434	0.9
109.02887	1.1
109.06530	3.0
109.10142	3.4
111.04436	1.3
111.08057	1.8
117.07018	6.4
119.08585	12.5
121.06512	3.7
121.10145	5.5
123.04440	2.2
123.08087	2.4
123.11671	1.5
123.59247	0.9
125.09615	1.7
127.03934	1.9
129.07022	2.0
131.08583	8.5
133.10138	15.9
135.08070	2.5
135.11682	4.1
143.08586	1.8
145.06520	2.2
145.10124	8.1
147.11702	5.2
149.09642	5.4
149.13272	2.5
151.11195	2.0
155.80716	0.8
157.10243	1.0
158.35347	0.9
159.11708	7.6
161.13251	2.0
163.11171	1.9
165.34143	1.1
167.10571	1.0
169.10216	1.1
171.11699	1.2
173.13219	1.5
177.12752	2.3
179.14328	8.5
181.12289	1.0
187.11145	2.5
193.12300	1.2
198.17583	0.9
205.12082	1.2
207.13794	1.1
241.36720	0.9
247.20663	1.7
257.18976	2.5
275.20084	32.8
293.21127	17.6
349.23752	100.0
367.24878	3.9
511.29019	1.4
529.29779	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.05502	8.2
56.96560	3.1
57.03442	22.7
59.05009	2.0
61.02927	2.2
66.32259	1.8
67.05514	20.5
69.07062	6.8
69.68393	10.8
71.04990	2.3
73.02901	2.1
79.05494	22.4
81.03410	4.8
81.07068	18.4
83.04975	5.5
83.08629	2.8
85.02895	7.8
85.06546	4.2
89.00793	2.4
91.05482	28.2
93.07050	23.5
95.04997	4.0
95.08595	14.9
97.02895	4.1
97.06535	6.1
99.04465	2.6
105.07027	20.9
107.04959	4.0
107.08612	14.5
109.06535	5.2
109.10149	7.9
117.07013	11.1
119.08594	20.8
121.06514	2.3
121.10133	10.3
123.08094	2.7
123.11723	2.0
125.60908	2.0
127.03938	3.5
131.08585	13.0
133.10126	11.6
135.11655	4.5
143.08592	2.7
145.10150	8.4
147.11674	6.5
159.11609	4.5
173.13232	3.0
185.13214	3.7
190.44485	1.9
192.58014	1.9
201.16359	3.3
219.17459	71.6
230.37505	1.9
263.66003	2.1
275.20059	14.0
293.21188	3.5
313.03476	1.9
348.15384	2.1
349.17114	3.9
349.23749	100.0
351.18289	2.3
367.25003	2.4
469.28259	4.5
488.17773	3.5
493.27441	2.7
511.28857	4.0
529.17377	2.2
529.28552	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01876	20.9
55.05515	36.8
57.03442	14.4
57.07060	3.3
61.02930	23.4
65.03944	3.6
67.05180	3.6
67.05510	46.6
69.03448	14.4
69.07063	19.9
71.01344	2.8
71.05000	4.8
71.53562	3.2
72.76508	2.0
73.02912	8.2
79.05500	52.1
81.03432	13.5
81.07061	37.2
83.04977	15.1
83.08630	14.9
85.02910	22.7
85.06539	2.7
87.04450	2.3
91.03949	10.7
91.05480	31.2
93.07046	32.4
95.04982	13.9
95.08617	18.7
97.02908	20.0
97.06538	55.3
97.10170	29.0
99.04449	2.4
99.08115	2.2
101.02406	3.0
104.99323	2.3
105.07042	38.1
107.04956	18.5
107.08597	46.0
109.02877	6.9
109.06519	6.0
109.10166	15.7
111.04449	4.7
111.08094	4.0
117.07030	10.2
119.08580	21.8
119.63255	2.2
121.06504	5.7
121.10160	13.8
123.08054	5.4
123.11742	4.7
125.09651	29.1
127.03912	7.4
129.05531	2.3
129.06995	5.6
131.08583	15.1
133.10149	18.5
135.08064	7.3
135.11703	7.9
137.09624	2.9
139.36276	1.9
141.07033	3.3
143.08527	5.9
145.10135	17.4
147.11720	15.8
149.09644	20.1
149.13231	3.6
155.08565	3.9
157.10141	3.7
159.11737	9.9
161.13264	7.3
163.11189	7.5
169.10146	2.5
171.08093	2.8
171.10161	7.0
171.11665	4.2
173.11850	3.6
173.13293	5.0
177.12782	4.6
179.14330	3.0
181.10255	3.0
183.06485	2.0
183.11781	3.4
185.09615	2.2
189.11198	25.7
189.12738	2.4
193.76109	2.2
195.08049	3.8
197.13319	4.6
201.16512	3.0
211.07631	2.8
213.09003	2.7
219.17479	3.6
225.09056	2.3
227.12799	30.9
229.14308	5.0
237.09148	4.5
239.07040	3.4
239.17949	4.6
241.08664	15.0
245.13907	17.7
247.20616	3.0
253.17970	5.8
257.19043	14.3
265.12231	2.6
269.17532	3.3
272.09100	2.3
275.20078	64.3
276.20163	2.0
291.13898	2.9
293.11810	4.7
293.21021	3.0
301.13870	2.0
309.14905	7.7
337.14377	20.2
349.23752	100.0
355.07898	3.8
355.15546	5.5
367.24857	24.7
403.21008	3.6
529.20551	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.4
55.01864	12.3
55.05510	26.0
57.03438	21.2
61.02925	37.6
67.05506	62.0
69.03425	24.3
69.07074	30.9
69.77272	11.3
69.77665	4.1
71.01371	2.9
71.04999	8.4
73.02904	20.3
74.45512	2.1
79.05497	53.1
81.03418	21.6
81.07054	100.0
81.07533	5.0
83.04985	16.1
83.08620	18.7
84.08141	8.6
84.39248	2.3
85.02901	48.6
85.06545	4.1
86.09677	2.5
91.03954	20.6
91.05473	49.1
93.07048	50.8
95.04948	15.7
95.08601	44.4
97.02889	28.3
97.06537	34.4
97.10169	9.7
99.04459	7.7
99.08083	4.6
101.02406	5.0
103.03921	4.5
105.07024	55.8
107.04955	11.1
107.08591	32.9
109.02886	7.7
109.06522	15.9
109.10148	24.3
111.04432	2.9
111.08086	7.8
115.03848	2.5
117.06999	23.4
119.08578	53.4
119.09384	4.8
121.06493	7.6
121.10153	20.6
123.08070	8.6
123.11671	11.2
125.09643	7.5
125.42606	2.7
127.03945	12.8
129.05482	3.4
129.06996	6.8
131.08577	28.1
133.06494	4.1
133.10132	39.7
135.08075	8.7
135.11679	15.7
137.09622	7.8
139.11205	2.6
142.79126	2.1
143.08540	6.7
145.05002	6.1
145.06491	3.2
145.10123	26.6
147.08015	4.1
147.11702	22.6
149.09669	11.2
149.13271	15.4
151.11168	4.9
153.01903	4.0
153.09187	2.7
157.10127	12.4
159.11664	23.8
161.09625	5.6
161.13254	8.2
163.11211	11.1
165.12807	4.7
169.10156	5.1
171.10257	3.9
171.11644	3.9
173.09564	2.3
173.13315	7.6
175.11232	5.7
175.14751	2.6
177.12764	10.5
179.14375	4.3
183.06535	3.6
183.11671	4.2
184.07423	2.5
189.11238	5.8
191.14343	2.6
193.12221	4.6
195.13788	6.3
201.71840	2.6
227.12839	4.5
229.14243	3.9
229.19557	5.3
239.17958	7.2
241.08624	6.8
247.20622	7.8
251.16475	2.5
253.17667	2.5
255.15886	5.9
257.19028	14.1
259.09567	3.0
263.19955	3.2
267.15955	3.2
269.17416	33.2
271.15201	2.7
275.20056	86.3
293.21005	10.0
313.14365	3.6
331.22739	3.0
337.14316	13.0
349.23712	91.8
355.15338	5.3
365.21219	2.7
367.24796	45.7
391.24921	5.8
399.10840	2.5
413.21689	4.0
431.22079	3.2
457.25314	3.2
493.28235	4.0
511.28806	10.4
529.20746	4.7
529.29645	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97503	2.1
53.03938	7.8
55.01866	14.9
55.05518	32.2
56.96555	4.2
57.03445	25.1
57.07054	3.2
59.91189	2.5
61.02933	36.5
65.03935	6.1
67.05505	82.1
68.05831	5.3
69.03430	31.6
69.07072	34.1
70.06590	4.2
70.07391	3.7
71.01344	5.0
71.04984	9.7
71.08627	8.1
71.54169	4.0
73.02923	17.4
75.04482	2.8
79.05492	50.3
79.05919	4.2
80.05824	2.7
81.03419	22.6
81.07056	97.0
82.07391	9.2
83.04980	21.3
83.08633	19.3
85.02901	51.4
85.06551	8.8
86.09700	4.2
91.03945	22.9
91.05482	42.8
93.07044	55.4
94.07388	8.7
95.04965	15.8
95.08614	38.6
96.08942	4.5
97.02310	3.3
97.02895	39.9
97.06538	31.7
97.10177	12.8
98.97594	5.9
99.04442	10.0
99.08093	10.0
100.08419	2.9
101.02412	7.2
103.03946	6.7
105.04572	3.4
105.07027	51.4
107.04965	14.5
107.08594	38.6
108.08108	3.0
108.08908	3.6
109.02879	9.5
109.06510	13.9
109.10138	22.7
110.10526	2.5
111.04449	6.7
111.08080	7.0
113.06038	2.5
116.98675	2.4
117.07014	16.7
119.08586	31.6
121.06506	5.2
121.10133	27.6
123.08071	8.5
123.11702	14.4
125.09617	12.7
127.03907	20.3
127.07584	2.3
129.05481	5.3
129.07014	5.8
131.08568	24.5
133.06462	3.4
133.10129	27.6
135.08070	6.7
135.11720	13.5
137.05969	2.9
137.09610	9.1
139.11218	2.5
143.08562	6.4
145.04938	7.6
145.06462	2.5
145.10127	24.5
147.08041	5.2
147.11699	21.0
149.09644	17.3
149.13225	12.8
150.13658	2.9
151.11182	7.0
152.07060	5.8
152.11551	3.4
153.01810	5.1
155.08470	2.3
155.10658	3.2
157.10114	9.2
159.08015	2.6
159.11710	15.1
161.09645	3.6
161.13252	10.3
163.03886	2.4
163.11153	14.5
163.14799	3.0
165.09082	2.9
165.12779	8.7
169.10117	4.7
170.08035	3.8
171.06590	2.7
171.10194	2.6
171.11668	7.2
173.09641	2.9
173.11879	4.4
173.13252	9.7
175.11334	3.5
175.14912	3.6
177.12775	6.0
179.14337	4.2
183.06577	3.9
183.11600	3.0
185.09602	5.0
185.13240	2.8
187.11177	2.6
189.11205	7.8
189.12733	2.7
193.12175	3.9
195.13783	4.7
201.07509	4.1
207.13835	2.7
219.13876	3.8
227.12685	5.5
229.14366	6.9
229.19420	4.8
239.18040	5.4
241.12183	4.7
245.13864	3.4
247.20532	5.3
257.19052	15.7
259.09601	3.0
265.12283	2.9
269.17490	30.3
270.17801	33.1
275.20065	100.0
277.21484	2.7
278.22018	5.0
285.10001	3.3
293.21109	22.5
309.14886	3.0
331.22699	2.9
334.24570	6.0
337.14349	12.8
348.45453	2.4
349.23743	58.3
349.28064	2.8
351.25305	4.2
352.25659	31.6
355.15512	7.5
367.24808	59.1
370.26691	16.8
378.11661	4.9
388.27808	3.3
392.18256	2.9
393.18744	13.1
395.24356	2.5
399.10812	2.8
457.26544	2.4
475.26456	6.6
493.27838	4.0
511.28421	11.0
528.02051	2.7
529.16656	4.2
529.20856	2.9
529.29944	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00128	1.4
53.03938	5.1
55.01860	5.4
55.05274	2.2
55.05514	28.4
56.96560	4.2
57.03443	19.1
57.07066	3.6
59.05005	2.8
59.05649	1.6
61.02941	2.2
62.06106	3.2
63.89773	1.6
65.03941	2.1
67.05508	81.4
69.03429	5.9
69.07069	23.7
69.94191	1.4
70.06575	2.1
71.04982	6.0
71.08638	25.9
71.54858	2.9
73.02906	3.0
73.06582	1.8
79.05075	2.5
79.05502	36.6
81.03421	20.1
81.07066	62.6
82.06583	2.1
83.04986	9.6
83.08220	2.3
83.08633	24.5
84.08132	2.7
85.02892	4.9
85.06541	5.7
86.09698	7.0
91.05486	27.9
93.07052	43.0
95.04957	10.2
95.08058	2.4
95.08614	26.4
97.02872	2.8
97.06535	16.6
97.10163	15.0
98.97597	4.5
98.98439	2.0
99.04462	2.5
99.08102	15.3
105.07040	21.1
107.04959	4.2
107.08603	26.7
108.08102	3.0
109.06513	4.8
109.10166	50.2
111.04452	2.7
111.08087	8.4
113.06058	2.4
113.09659	4.1
117.06995	6.9
119.04926	1.9
119.08575	14.9
120.08144	2.4
121.06494	4.6
121.10145	13.3
123.11720	4.9
124.07574	2.3
124.99969	2.4
125.09622	11.4
127.03944	3.0
129.05469	1.9
129.07011	4.4
131.00171	1.7
131.08566	9.0
133.06490	5.8
133.10139	13.3
135.08087	3.5
135.11629	8.2
137.09598	7.7
139.11205	2.8
143.08542	4.7
145.06480	4.4
145.10115	6.6
147.08070	2.0
147.11642	9.2
149.06099	1.9
149.09592	3.2
149.13251	14.9
151.11209	9.6
152.07054	3.0
155.10681	7.6
157.10121	2.9
159.11671	6.8
161.13235	6.2
163.03856	3.5
163.11185	7.4
163.14789	2.3
165.12743	5.2
171.11658	5.0
173.02370	2.6
173.11765	22.2
173.13213	2.8
175.11171	3.0
175.14841	1.9
177.12747	3.6
179.14288	5.6
184.07335	8.9
185.13190	1.9
189.11179	7.0
193.12251	11.7
195.13818	5.5
196.13326	4.1
211.13466	2.7
215.07001	2.1
216.06210	3.1
220.16893	2.1
227.12802	2.3
229.14371	82.0
238.18098	3.2
239.57187	1.7
241.19501	6.4
251.09535	1.8
259.09686	4.7
259.20612	4.1
260.10071	2.5
264.73825	1.9
267.08975	2.4
267.15939	6.1
269.17499	97.7
277.21661	20.8
285.09946	2.0
285.16895	12.1
286.10428	2.4
295.22720	3.2
302.63754	2.3
319.11972	2.0
320.25998	3.0
321.08636	2.2
332.72513	2.0
333.24258	17.8
351.25311	100.0
352.15201	15.6
369.26355	81.7
370.16306	7.4
374.17255	3.6
387.27435	12.1
392.18335	30.6
410.19736	2.3
415.12939	2.2
455.16110	2.8
474.26016	7.8
478.16055	7.9
492.27148	4.5
496.17062	2.5
510.18381	1.9
510.27994	2.9
528.19543	3.9
528.26666	2.8
536.90106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
60.04520	3.3
60.10271	0.9
61.02903	1.2
66.85090	1.0
67.05500	1.7
69.03420	2.5
69.07072	14.6
69.62997	5.3
70.02958	3.6
70.06580	4.7
71.04995	0.9
72.08167	2.7
79.05481	1.2
81.03419	1.5
81.04537	2.2
81.07058	2.1
82.02934	2.8
83.06095	1.5
84.08158	2.3
85.02917	3.0
86.09708	100.0
87.05574	4.8
91.05473	1.7
95.04959	1.1
95.08607	1.4
97.02890	2.3
97.04020	5.1
97.06554	1.3
98.02415	3.3
99.05573	1.4
107.08577	1.0
108.04513	1.1
109.03992	2.5
110.02403	2.8
120.08063	1.4
121.10155	1.2
123.05551	2.1
124.03973	2.1
124.05067	5.0
125.03468	7.5
126.06647	2.2
130.06511	2.3
131.57112	1.1
132.10179	2.7
135.01892	1.2
135.05598	1.2
136.05078	2.0
137.03357	0.9
138.09100	1.0
141.02980	1.6
141.10251	1.7
142.06102	8.2
144.08037	1.4
146.05998	1.8
150.06648	2.8
151.07591	1.1
152.04543	11.3
153.03014	2.6
155.11787	2.2
164.04597	1.3
166.08640	4.8
170.05563	5.3
172.07527	1.2
177.05420	1.1
177.10159	1.2
178.06136	2.9
179.05772	4.8
183.11264	2.1
184.07497	1.3
186.07588	1.3
190.08583	1.6
192.11334	1.2
193.09795	1.3
193.12344	1.3
195.08850	0.9
196.07182	1.0
200.13962	2.8
204.04103	1.4
204.11340	1.5
206.05658	1.5
206.08160	2.0
210.12372	2.1
218.12894	1.2
221.06651	1.6
221.09038	1.0
223.08202	1.1
225.94574	1.2
232.10817	2.0
233.48294	1.0
238.09488	2.6
238.11900	6.8
239.07697	1.8
243.11090	1.1
245.18610	2.9
246.12401	2.8
249.06126	2.9
249.13493	5.8
255.14514	4.3
255.17047	2.2
260.10406	1.3
263.14954	1.9
266.08829	12.5
266.11438	8.7
267.07220	3.1
270.40186	1.0
274.11780	1.9
283.14041	9.0
284.09811	4.4
289.12943	1.1
291.14563	6.6
292.13159	1.6
306.15710	1.8
308.17514	1.3
309.15631	3.2
316.12717	1.3
317.12671	1.5
319.14124	5.6
334.15164	6.2
335.13556	2.4
336.16675	7.7
337.15244	1.4
345.12048	1.7
351.17157	11.7
352.16138	3.6
362.14630	3.6
363.12988	2.2
369.18875	3.0
379.17227	33.6
380.15390	2.9
396.21991	1.3
397.21033	2.7
447.23776	1.2
448.21307	1.2
487.09592	1.2
496.17285	1.2
528.17072	1.8
528.24536	3.3
528.34131	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01863	2.5
55.05513	16.6
55.85885	0.8
56.96563	1.1
57.03440	6.5
61.02922	15.0
65.03946	2.2
67.05506	20.1
69.03432	6.4
69.07069	10.3
70.16019	1.4
70.16377	3.3
71.04984	2.6
71.82915	0.7
73.02914	5.2
79.05492	20.5
81.03423	3.6
81.06586	1.5
81.07056	23.8
83.04988	3.9
83.08641	5.4
85.02915	13.8
85.06545	2.8
87.00838	0.8
91.03952	5.1
91.05479	37.7
93.07044	25.4
95.04974	4.8
95.08607	15.5
95.09177	1.2
96.58932	0.7
97.02890	8.5
97.06541	7.1
97.10168	5.2
99.04469	1.6
99.08086	1.5
101.02404	0.8
102.12370	0.8
103.03918	1.4
103.05499	1.1
105.07034	30.8
107.04942	4.0
107.08588	12.0
109.02895	1.8
109.06561	6.1
109.10168	5.7
111.08086	2.7
115.05433	4.0
116.06253	2.0
116.44048	0.9
117.07015	20.0
119.08581	18.6
119.09371	1.4
121.06480	3.7
121.10134	7.1
123.08068	6.3
123.11706	1.4
125.09644	2.6
127.03927	2.6
128.06206	10.4
129.07005	15.1
130.07819	4.4
131.08572	40.0
133.06479	5.2
133.10124	13.9
135.08051	3.8
135.11711	3.1
135.46034	0.8
137.06000	1.9
137.09608	2.5
139.11201	2.0
141.07014	6.7
142.07780	3.1
143.08560	47.3
144.09427	1.1
145.06540	2.0
145.10127	45.3
147.08041	5.8
147.11716	5.5
149.09621	4.1
149.13255	1.0
151.07549	1.6
151.11159	1.5
153.06964	1.7
154.07764	1.5
155.08560	5.3
156.09341	1.2
157.06535	0.8
157.10117	15.3
159.08063	3.0
159.11687	12.7
161.09618	8.7
161.13231	1.6
163.11194	3.4
165.06979	1.0
166.07803	1.1
167.08588	2.8
169.10132	8.9
171.07965	1.1
171.11684	9.3
173.09624	1.7
173.13277	3.0
175.11156	5.3
177.12761	3.6
180.09349	1.4
181.10124	6.3
183.11737	5.5
185.09636	1.3
185.13242	4.0
187.11215	1.5
189.12804	1.8
191.10587	0.9
194.10835	1.0
195.11687	13.3
197.13284	1.2
199.11192	1.7
199.14850	1.8
201.12759	2.8
209.13280	2.6
211.14893	1.9
213.12738	2.3
215.12813	1.6
227.12579	1.1
227.18004	5.2
231.13832	1.1
233.11707	3.1
234.12080	2.8
237.16389	14.6
242.53781	0.8
245.19026	2.5
255.17479	18.8
257.18951	1.0
259.09772	1.2
273.18494	40.5
273.77487	0.8
291.19446	1.6
329.20889	1.8
330.18069	1.3
347.22168	100.0
365.23242	4.3
441.24493	1.6
459.91708	0.9
483.25464	4.5
527.24292	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01873	0.6
55.05511	1.5
56.96563	2.4
57.03435	1.1
61.02947	0.5
67.05515	2.6
69.03426	2.3
69.07062	2.0
70.06586	0.9
71.05007	1.6
71.54827	0.7
72.08163	0.4
73.02917	0.4
79.05501	1.6
81.03423	2.3
81.07064	4.0
83.04992	1.8
83.08610	0.6
84.96027	0.7
85.02905	3.5
85.06542	0.5
86.09695	0.6
87.00830	0.7
87.04459	0.5
91.05510	1.8
93.07046	2.2
95.04977	1.1
95.08627	1.4
97.02904	1.8
97.06531	3.0
97.10188	0.5
98.97612	2.2
99.04471	0.7
99.78915	0.4
105.07063	1.8
107.04981	0.6
107.08601	2.2
109.02914	0.9
109.10169	1.4
110.97548	0.5
111.04488	0.7
113.06051	0.4
115.03939	0.6
116.98650	0.9
117.07046	0.8
119.08618	1.3
121.10188	1.4
123.11713	0.7
125.06010	0.5
127.03958	1.3
129.07037	0.5
131.00168	0.5
131.08539	0.6
133.01801	0.4
133.10175	0.8
135.08086	0.7
135.11711	1.0
145.04964	0.9
145.10155	0.8
147.04465	1.3
147.11700	1.2
149.09618	0.9
153.01843	5.2
157.10181	0.5
158.99744	0.9
159.11784	0.7
161.02448	0.4
161.09676	0.5
163.03976	1.2
165.12813	0.6
167.10777	0.5
169.14917	0.5
170.99820	0.4
173.02383	0.9
177.00725	0.5
177.05499	0.7
187.06102	0.4
187.07690	0.6
193.05112	0.4
203.05365	0.9
215.07019	2.3
217.08609	0.5
219.01697	0.8
227.05287	0.6
237.02896	1.5
243.04691	0.5
245.06355	4.1
259.09671	2.3
261.18561	1.1
263.05527	0.7
267.09219	1.3
273.07654	1.1
273.18616	1.2
277.05933	0.7
279.12100	1.2
279.19284	3.4
282.05237	0.4
285.10251	1.1
289.05319	6.5
295.06992	2.1
298.04721	0.6
299.05994	0.5
299.12003	0.6
313.03595	1.4
321.19287	0.5
326.04498	0.7
341.06552	7.0
341.10260	0.6
347.22168	0.6
355.08307	0.5
365.23221	2.0
381.09763	2.0
399.11243	0.7
423.10980	0.7
423.23520	1.4
441.24567	7.6
452.29297	0.4
455.06641	0.7
465.11713	0.6
465.24698	1.6
467.15787	2.7
483.25674	25.6
484.25919	0.7
491.27032	0.4
509.15128	0.8
509.23666	2.5
527.18512	9.3
527.24835	100.0
528.24945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
54.29137	1.3
55.01878	3.1
55.05509	20.4
56.96579	1.5
57.03426	2.3
57.07082	11.7
59.04995	2.2
67.05506	21.0
69.03432	3.9
69.07070	49.6
69.18171	9.6
69.18595	6.1
71.04983	3.9
71.08626	2.5
73.06535	1.6
79.05497	12.5
81.03402	4.6
81.07059	100.0
81.19192	1.4
83.04952	3.4
83.08623	19.8
84.53572	1.4
85.02903	10.3
85.06554	15.4
91.05473	6.2
93.07053	25.3
94.74271	1.5
95.04955	1.6
95.08610	73.8
97.02898	4.2
97.06541	8.8
97.10176	6.2
99.08074	5.9
105.07038	9.4
107.08596	31.0
109.02884	1.7
109.10168	33.3
111.08089	14.2
111.11720	15.6
119.08576	7.1
121.10146	14.7
123.11710	35.9
125.09654	2.1
125.13255	4.2
127.03951	2.1
127.11179	3.6
133.10124	6.5
135.11691	16.0
137.13261	36.5
139.11241	2.5
145.04913	2.0
145.10214	1.6
147.11719	3.4
149.13268	27.9
151.14793	2.3
153.12761	21.6
155.14272	12.3
161.13268	2.0
163.14839	6.9
167.14365	7.5
171.13809	5.9
173.15387	5.7
176.53856	1.6
177.16435	3.1
185.15372	1.6
189.16470	1.6
191.17940	2.4
203.10809	1.8
203.18033	2.0
239.20076	2.7
239.23662	2.9
259.09769	2.3
259.20618	3.8
273.25687	3.1
279.26807	9.1
289.05289	9.4
291.26825	26.2
297.27930	7.3
309.27884	40.4
309.95862	1.7
315.28928	6.8
327.28882	10.6
339.17719	2.4
345.23859	3.0
345.29935	8.0
347.25623	4.3
463.23288	3.2
481.23825	6.2
507.21878	6.9
525.22876	69.2
525.30328	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01878	10.0
55.05510	9.9
57.03438	15.0
58.47139	2.2
59.04996	4.4
61.02920	4.3
67.05498	9.5
68.99793	3.9
69.03430	94.3
69.07072	35.1
70.06585	2.9
71.04987	9.3
71.53815	2.3
72.08153	1.9
73.02905	7.2
77.22989	1.9
79.05478	7.3
81.03422	34.6
81.07068	12.5
83.04988	15.6
83.08611	4.6
85.02908	100.0
85.06526	8.4
86.09687	3.0
87.00317	2.7
87.00830	36.9
87.04458	20.3
91.05481	4.5
93.07035	9.2
95.04966	3.7
95.08599	10.6
97.02892	88.4
97.06543	12.1
97.10168	2.1
98.97595	2.3
99.04462	19.3
99.08086	4.9
105.01871	51.6
105.07011	3.8
107.04912	2.9
107.08586	7.1
108.08891	2.3
109.02866	28.3
109.06525	3.2
109.10146	8.2
111.04433	11.7
111.08074	19.8
111.11708	9.1
113.79575	2.5
115.03925	41.0
117.05534	2.6
119.04980	2.6
119.08579	6.9
121.06478	5.9
121.10152	5.6
123.04468	2.9
123.08093	3.5
123.11704	4.9
125.02372	3.3
125.09666	2.0
127.03921	63.7
127.11208	10.0
129.01854	2.7
129.05502	5.1
129.06972	2.5
129.12720	4.8
131.08574	2.4
133.04961	17.9
133.10091	5.1
135.04474	2.2
135.08032	3.5
135.11697	5.2
139.03896	7.6
139.07532	7.7
139.11159	5.0
141.12721	5.3
143.08452	3.6
145.04970	30.3
145.10164	3.6
147.11716	5.7
149.09689	2.9
149.13240	2.7
150.07639	19.7
151.03905	3.0
151.11223	2.6
152.35791	2.1
153.01836	3.2
153.12717	2.5
157.06734	2.0
157.10141	2.9
159.02852	11.7
159.11774	2.0
161.02629	1.8
161.13264	2.3
163.03900	9.0
163.11198	2.0
169.12213	6.6
171.11594	3.0
171.77318	2.0
173.02351	6.3
175.11124	2.8
177.05482	6.1
177.12663	2.7
179.10614	3.5
181.12180	2.5
183.02940	2.2
184.07335	4.7
186.05533	5.1
189.03944	5.1
195.13751	4.3
199.06091	2.5
201.03889	3.2
201.12708	2.6
204.88744	2.1
205.05014	4.7
207.13754	4.3
213.03903	8.3
215.05440	3.7
219.13748	5.8
219.87881	2.1
223.06049	5.7
225.14915	4.0
231.05003	20.6
233.11664	3.7
233.92976	2.1
237.14854	15.7
241.07108	10.5
243.15938	7.9
249.06021	6.8
259.09830	5.2
260.20905	4.5
261.17038	4.2
267.09177	2.7
277.10916	2.9
283.15155	3.1
285.10168	3.5
297.16824	10.3
301.09055	4.3
309.05869	2.7
323.14954	23.7
327.07153	15.9
341.06619	3.4
341.15891	8.7
345.08130	22.8
359.16895	7.4
363.09152	4.6
455.06448	4.7
473.07462	4.1
526.22699	15.3
526.41766	2.1
532.78320	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01873	2.2
55.05509	10.0
56.96551	1.3
57.03418	2.0
57.07079	12.2
59.19237	0.9
61.02922	1.3
66.06152	0.9
67.05505	26.0
69.03427	8.4
69.07070	18.4
69.22453	9.9
70.06577	1.3
71.04990	1.8
71.08636	1.3
73.02911	0.9
79.05487	10.7
81.03427	3.4
81.07059	54.1
83.04980	2.4
83.08623	9.5
84.08164	1.2
85.02899	12.5
85.06546	100.0
86.09705	1.3
87.00819	1.4
91.05471	5.9
93.07050	19.2
95.04958	2.3
95.08611	39.2
96.08150	1.1
97.02914	3.2
97.06554	3.7
97.10158	5.8
98.97594	1.4
99.04449	1.3
99.08099	13.6
105.07037	7.3
106.73988	0.9
107.04913	1.0
107.08600	23.6
109.02910	3.6
109.06532	2.6
109.10170	26.6
111.04435	1.1
111.08127	5.0
111.11726	3.4
113.09600	1.7
119.08591	7.5
120.08093	1.0
121.10140	15.5
123.11718	19.0
125.09630	17.3
125.10458	1.7
125.13262	2.3
127.03907	2.9
127.11137	1.5
127.19276	1.1
131.08618	1.6
133.10139	3.7
135.11697	9.8
137.06001	2.1
137.13255	13.3
139.11195	3.9
145.04999	2.3
145.10138	2.4
147.11737	5.4
149.13258	15.5
151.14851	3.9
153.12758	2.4
155.14325	1.4
157.10150	1.7
159.11703	2.1
161.13257	2.0
163.11217	1.3
163.14832	8.9
165.09094	3.1
167.14349	4.3
171.11633	1.7
171.13826	8.6
175.14757	2.2
177.16383	5.0
181.15814	1.2
182.15422	1.5
191.14453	1.5
191.17928	2.4
193.19548	1.6
195.17476	1.5
201.16376	1.8
203.17993	1.9
204.46893	1.2
209.19069	1.2
213.18494	2.4
217.19455	2.9
219.21255	1.1
223.00687	1.0
227.12679	1.4
229.14427	1.6
259.20612	6.8
261.25888	1.4
264.53192	1.0
273.25821	3.3
277.21729	2.2
279.26868	13.0
283.15329	1.3
287.03741	2.3
289.05341	3.3
291.26825	24.0
297.27939	13.0
309.24274	1.6
309.27872	32.6
327.28934	19.1
345.30075	10.7
349.23944	1.3
463.22937	1.1
471.32980	1.2
481.23758	3.8
493.17654	1.2
507.22055	4.0
525.22644	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	525.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34095	2.9
51.75825	2.7
53.03940	9.5
53.18570	2.7
53.98916	2.8
55.01871	15.4
55.05513	37.8
56.96561	6.7
57.03429	12.7
57.07071	7.5
59.05009	14.9
61.02928	6.4
65.03951	5.6
67.05509	83.0
69.03441	18.0
69.07065	24.5
71.01359	5.1
71.04992	34.0
71.53629	2.5
77.03917	3.7
79.05497	75.1
81.03419	77.6
81.07059	75.7
83.04993	29.3
83.08629	33.8
85.02892	20.8
85.06542	14.1
87.04463	6.3
91.05484	74.7
93.07045	60.8
95.04967	41.0
95.08617	37.8
97.02896	14.2
97.06551	20.1
97.10146	20.2
98.21466	3.3
98.97592	6.2
99.08065	4.0
105.07033	58.6
107.04980	22.3
107.08591	49.0
109.02884	6.3
109.06526	18.6
109.10143	30.1
111.04457	13.3
111.08094	14.7
113.09660	3.2
117.07026	17.4
119.08591	51.2
121.06503	9.9
121.10139	47.8
123.04411	7.6
123.08057	6.2
123.11693	6.7
124.99232	3.3
125.06002	7.0
125.09626	21.0
125.10432	3.4
127.03874	4.6
128.06242	3.1
129.06998	23.5
131.08566	37.1
133.06523	7.4
133.10143	54.2
135.04408	12.9
135.08038	10.4
135.11702	20.6
137.06001	6.3
137.09628	15.7
141.06972	3.4
143.08563	6.6
144.09460	3.1
145.06526	7.0
145.10100	20.5
147.04430	3.8
147.08058	12.0
147.11703	32.9
149.09641	43.4
151.11205	8.6
153.09134	8.3
153.12617	6.5
155.08592	4.7
157.06538	3.3
157.10165	18.1
159.08215	3.5
159.11707	8.6
161.09633	8.5
161.13264	5.7
163.03975	3.2
163.07581	3.7
163.11169	17.5
165.09097	4.8
165.12764	5.6
167.10667	5.2
169.10133	3.7
171.08096	4.0
171.11650	3.7
173.09641	5.8
173.13257	6.1
175.11208	24.8
175.14853	6.7
177.00655	3.6
177.12708	3.7
179.10579	4.0
181.12337	7.1
185.13226	6.8
187.11252	7.2
189.11215	14.1
189.12714	5.1
191.10716	6.1
193.12257	62.3
193.13918	5.8
197.09538	3.4
197.15477	5.4
199.13223	6.5
200.69316	3.6
201.12817	4.3
203.14355	6.2
209.11772	12.8
211.11443	3.3
211.13284	83.0
225.12863	4.4
225.14742	16.3
227.12743	17.2
230.00110	3.1
231.13727	3.8
235.13342	7.5
247.13223	4.0
249.14914	23.0
259.20587	11.0
267.09036	6.7
267.15967	14.1
269.10635	3.4
271.16852	5.5
277.21625	43.3
283.15414	13.4
285.10172	8.4
299.31155	3.4
337.21799	4.6
355.22610	11.8
365.21133	9.2
373.23929	5.7
383.22235	23.8
401.23248	26.8
415.25128	8.5
419.24081	7.1
421.25714	8.7
433.26093	20.4
451.26913	6.2
457.25784	9.7
460.29742	4.4
475.27032	31.8
489.28598	6.3
493.28278	32.5
507.29611	89.4
525.30670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32023	0.9
53.03936	4.2
53.84567	0.8
55.01865	3.4
55.05510	8.2
57.03445	4.8
57.07067	6.6
60.47536	1.0
61.02912	3.0
65.03924	1.2
67.05508	20.7
68.76178	0.8
68.99785	1.7
69.03431	27.6
69.07072	6.6
69.23726	3.1
69.24158	6.3
71.01350	1.0
71.04985	4.3
71.05339	0.9
73.02916	3.6
79.05499	6.7
81.03423	21.0
81.07056	17.6
83.04986	5.2
83.08604	2.7
85.02910	26.7
85.06549	68.4
87.00829	12.4
91.03968	1.2
91.05492	7.7
93.07049	10.9
95.04970	6.0
95.08614	18.9
97.02895	11.2
97.06526	2.9
99.04453	7.0
99.08098	77.4
103.05452	1.4
105.01862	5.2
105.07033	19.1
105.47884	1.0
107.04971	1.2
107.08602	12.2
109.02892	16.0
109.06522	9.1
109.10167	11.2
111.08102	1.5
113.09666	1.6
115.03941	1.2
116.98515	1.0
117.01833	2.3
117.07016	2.6
119.08586	28.1
121.06543	1.8
121.10146	23.9
123.08099	4.7
123.11695	5.4
125.05998	2.0
125.09622	11.9
127.03927	22.0
129.01802	2.0
131.08598	4.8
133.10150	12.5
135.08008	2.4
135.11688	5.3
137.09628	4.9
137.13286	2.0
139.11147	3.8
142.07716	1.0
143.08586	5.2
145.04970	5.8
145.10133	10.4
147.08026	2.9
147.11699	24.0
149.09608	3.1
149.13213	1.2
151.07521	1.0
151.11176	2.8
151.14903	1.0
156.09303	1.5
157.10135	6.2
159.02913	8.3
159.11697	9.0
161.09573	3.1
161.13286	5.2
163.03986	1.1
163.11234	1.9
165.09129	1.4
165.12752	15.0
170.10910	2.6
171.11690	7.7
173.13210	5.5
175.11201	4.0
175.14874	4.2
177.03854	0.9
177.09177	0.9
177.12790	2.6
179.14342	9.9
181.12256	1.2
183.11592	1.4
185.13281	8.0
187.14914	1.7
189.12743	4.0
190.13506	1.1
199.14790	8.8
201.16399	12.6
203.05334	2.0
203.14235	4.7
203.17834	1.5
217.15900	2.5
218.16672	1.5
231.05028	3.9
241.19511	8.0
259.09744	2.2
259.20590	100.0
261.22104	1.3
277.18619	1.4
277.21616	10.9
289.05072	1.0
381.87247	1.0
421.22003	9.6
439.22736	2.5
463.22876	2.8
481.24103	7.3
525.22937	36.2
525.26758	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	525.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
53.32353	1.3
55.01874	7.2
55.05514	16.9
57.03426	6.5
57.07070	2.5
59.04999	6.0
61.02919	3.0
67.05511	34.1
69.03435	9.9
69.07073	9.8
70.06190	5.6
71.04997	10.0
73.02916	2.2
76.13535	1.3
79.05500	30.0
79.78749	1.3
81.03429	24.2
81.07062	38.6
83.04991	14.6
83.08620	13.0
85.02918	8.5
85.06554	7.6
87.00829	2.9
87.04446	1.9
87.51630	1.4
91.05486	27.2
93.07052	37.4
95.04970	15.9
95.08605	20.8
97.02896	5.5
97.06528	5.9
97.10204	8.4
98.20891	1.9
99.04470	3.2
99.08092	2.7
105.01881	1.4
105.07030	30.4
107.04943	7.2
107.08603	26.9
109.02888	2.9
109.06547	8.9
109.10154	19.1
111.04439	4.2
111.08069	7.4
113.09653	3.9
117.07038	5.1
119.08596	30.7
121.06533	6.9
121.10146	35.1
123.04431	1.8
123.08055	5.2
123.11749	8.3
125.05958	1.6
125.09650	9.0
125.10432	1.5
127.03960	3.7
129.06984	6.7
131.04843	1.3
131.08572	13.3
133.06496	2.3
133.10141	45.4
135.04443	3.6
135.08049	5.1
135.11684	15.0
137.05974	3.6
137.09621	18.6
139.11176	6.9
142.07782	3.1
143.08548	4.7
145.06519	2.7
145.10144	10.2
147.08069	6.3
147.11699	15.6
149.09624	15.0
149.13297	4.4
151.11180	11.3
153.09081	2.2
153.12849	1.9
155.08527	2.3
157.10127	9.6
159.11703	5.0
161.09616	5.8
161.13277	6.0
163.11176	7.5
165.12735	3.5
171.11685	3.2
173.13216	2.5
175.11168	10.0
175.14851	18.7
181.12227	3.5
185.13251	4.3
187.11226	1.5
189.11221	3.3
189.12796	3.3
191.10715	2.5
193.12260	16.4
193.15817	2.1
199.14842	2.4
201.16338	4.7
203.14386	7.1
209.11771	4.2
211.13286	21.6
217.15897	1.9
222.73787	1.6
225.14827	5.2
227.12778	4.2
241.19519	4.0
249.14920	4.0
259.20615	25.7
267.08936	2.3
267.15921	4.5
277.21643	100.0
283.15417	4.3
285.10077	3.7
302.37512	1.4
307.29022	1.4
342.15894	1.6
355.22427	3.1
365.21103	2.6
371.90268	1.5
373.23611	1.7
383.22147	7.8
401.23160	6.5
421.25775	2.0
429.16623	2.2
433.25754	5.4
451.26859	1.6
457.25906	2.2
475.27014	10.3
493.27966	7.0
507.29614	22.3
525.22974	2.0
525.30682	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	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01871	3.7
55.05518	9.5
57.03432	3.8
57.07084	5.5
61.02921	2.1
64.76669	1.3
67.05179	1.9
67.05505	22.4
68.99792	3.1
69.03435	29.1
69.07078	5.2
69.38691	8.6
71.04984	4.4
73.02927	5.3
79.05499	6.2
79.10745	1.3
81.03423	18.8
81.07059	16.2
83.01311	1.3
83.04973	4.7
83.08615	3.0
85.02446	1.6
85.02917	24.6
85.06548	70.9
87.00836	14.0
89.01567	1.0
91.05486	7.6
93.07043	9.4
95.04971	3.6
95.08611	17.6
97.02905	12.7
97.06539	3.4
99.04469	6.3
99.08102	81.2
105.01869	6.9
105.07031	18.3
107.08610	11.5
109.02890	16.9
109.06517	10.3
109.10155	9.7
111.08102	1.4
115.99686	1.1
116.60356	1.0
117.01850	2.1
117.07069	3.0
119.08583	23.8
121.06493	2.6
121.10145	25.2
122.65139	1.1
123.08067	5.9
123.11741	7.2
124.69575	1.0
125.05986	3.9
125.09638	13.3
127.03915	22.1
129.01811	2.4
129.07016	2.5
131.08566	3.9
133.06480	2.0
133.10149	14.1
135.08105	1.9
135.11699	4.2
137.05971	1.6
137.09625	4.5
137.13255	1.3
139.07651	1.2
139.11172	4.8
142.07829	1.8
143.08527	5.4
145.04944	5.4
145.10152	9.3
147.08052	1.8
147.10513	1.9
147.11691	31.5
149.09625	1.7
149.13289	1.4
151.11197	2.4
151.14825	1.2
157.10149	7.3
159.02899	9.2
159.11679	9.4
161.09612	3.9
161.13232	6.5
163.11165	2.6
165.09100	2.4
165.12775	13.4
170.10895	1.6
171.11688	8.2
173.13292	3.8
175.11201	3.6
175.14809	6.3
177.12720	1.5
179.14288	10.8
185.13217	11.5
187.14783	2.0
189.12758	2.3
189.16411	1.6
190.13628	1.7
199.14784	7.9
201.16393	10.1
203.14290	6.5
213.16518	1.7
217.15903	2.1
231.05040	4.5
241.19473	7.3
259.09637	1.7
259.20590	100.0
261.22083	1.8
271.01321	1.2
277.21683	12.1
289.05368	1.7
439.22919	4.3
481.24170	9.0
525.23022	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.3
55.01857	1.1
55.05526	6.7
57.07059	1.0
59.05008	1.0
67.05511	9.5
67.29303	1.0
69.03445	7.1
69.07054	6.1
70.53266	2.0
71.04986	3.1
79.05502	10.1
81.03432	6.2
81.07063	17.6
83.04980	8.6
83.08618	4.0
85.02926	7.9
85.06570	4.7
87.00841	2.2
88.59756	0.9
91.05473	8.3
93.07051	18.2
95.04958	2.4
95.08617	11.3
97.02886	2.8
97.06553	2.4
97.10133	1.6
98.97579	1.4
99.04454	1.3
105.07045	14.8
107.04947	3.8
107.08598	15.5
108.59586	1.0
109.02886	1.4
109.06521	4.0
109.10168	15.7
111.08061	2.2
113.09649	3.7
117.07016	2.0
119.08586	16.2
121.06503	3.8
121.10155	21.1
123.08089	1.7
123.11715	6.2
125.09621	3.4
127.03925	3.3
129.06972	1.7
131.08560	3.5
133.06483	0.9
133.10136	36.1
135.08125	2.3
135.11714	6.5
137.06023	1.3
137.09628	21.5
139.11183	3.1
143.08549	1.7
143.23225	1.2
145.10144	3.8
147.08060	4.4
147.11685	6.4
149.09633	2.9
149.13254	2.9
151.11188	11.0
157.10147	2.6
159.11713	3.4
161.09671	5.4
161.13321	4.6
163.11195	1.8
165.12759	2.0
171.11684	1.9
173.13287	1.8
175.11206	3.4
175.14830	18.6
175.76945	0.9
185.13293	2.7
189.12727	1.8
191.14371	1.2
193.12207	2.4
193.15900	1.3
199.14828	1.9
201.16420	3.4
203.14326	6.2
211.13332	1.8
215.17946	1.0
217.15901	4.1
217.19591	1.1
219.17444	1.4
241.19548	3.5
259.20596	28.6
267.09100	1.6
277.21637	100.0
285.10123	2.0
301.90213	1.0
359.75885	1.1
367.23047	1.2
443.11310	1.0
507.29419	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01865	1.6
55.05506	2.1
56.96567	1.1
57.03434	1.4
63.26251	0.6
65.03880	0.6
67.05502	4.1
69.03420	3.7
69.07060	1.8
69.29291	4.0
69.46764	0.6
69.51393	0.5
71.04984	1.3
73.02911	0.5
79.05484	3.3
81.03436	3.5
81.07059	5.7
83.04984	1.4
83.08623	1.3
84.08140	0.6
85.02907	2.6
85.06551	4.3
86.09709	0.7
87.00807	1.0
91.05476	1.6
93.07039	3.1
95.04980	1.5
95.08619	3.6
97.02888	2.3
97.06554	1.7
98.20790	1.0
98.97604	0.6
99.04467	1.2
99.08099	2.8
103.03906	0.8
105.07077	2.9
107.04960	1.5
107.08588	2.7
109.02879	1.7
109.06536	1.0
109.10162	2.2
111.08088	0.9
117.06998	1.0
117.08587	0.6
119.08588	3.1
121.06499	1.0
121.10173	2.7
123.08076	1.7
123.11706	1.2
125.09629	1.4
127.03934	2.8
131.08597	1.3
133.10149	2.1
135.08069	1.0
135.11684	1.2
143.08595	0.8
145.10123	2.5
147.11687	1.7
149.09567	0.7
153.12798	0.6
156.09369	0.6
157.10156	1.0
158.99538	0.6
159.11713	1.5
161.09712	0.7
161.13283	0.8
163.11185	2.2
165.09106	0.7
168.09561	0.5
171.11685	0.7
173.09731	0.6
173.13249	0.8
175.11127	0.6
179.14253	0.6
184.07364	0.6
185.13182	0.6
191.10710	0.6
193.12399	0.6
199.14848	1.0
201.16429	0.9
203.05605	0.8
209.11763	1.5
211.13402	0.6
227.05301	1.0
227.10802	0.5
227.12810	2.7
241.19452	0.7
245.06363	2.3
249.07832	0.6
251.11282	1.5
259.16748	2.3
259.20599	4.9
261.01288	0.5
267.09006	6.9
269.12396	3.4
277.17752	3.6
277.20676	1.0
283.06158	0.8
283.15350	7.7
285.10123	4.6
287.03824	1.6
289.05289	7.1
299.11664	4.0
301.14975	1.4
305.17468	0.9
311.14951	0.8
317.12677	3.0
319.18576	0.6
394.62384	0.6
421.22156	0.7
439.23068	11.2
463.23080	2.1
481.24161	19.8
499.48056	0.5
507.21954	2.0
525.23047	100.0
525.29730	6.2
526.23065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2312
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.03941	0.8
55.05516	3.0
56.96557	0.6
57.03428	0.7
57.07072	1.7
57.64537	0.5
67.05505	5.6
69.03421	2.1
69.07073	4.8
69.40544	3.3
70.06597	0.7
71.04991	0.9
73.02904	0.4
75.70054	0.5
79.05489	3.3
81.03412	1.3
81.07061	13.5
82.06464	0.4
83.04975	1.4
83.08621	1.9
84.08137	0.5
85.02901	3.3
85.06553	5.7
91.05480	2.0
93.07049	4.1
95.04964	1.0
95.08611	9.9
97.02908	1.6
97.06531	1.8
97.10165	1.1
98.97604	1.2
99.08092	2.3
105.07043	3.1
107.08592	4.8
109.02896	1.2
109.10168	6.6
111.08100	1.4
111.11736	0.9
112.99210	0.5
113.09717	0.7
119.08634	2.7
120.08175	0.7
121.10149	4.0
123.11711	5.0
125.09646	1.8
127.03059	0.5
127.03932	1.4
129.06999	0.8
131.08527	0.9
133.10153	1.4
135.11705	2.0
137.09682	0.6
137.13278	1.6
138.09203	0.4
139.11188	1.1
145.10147	1.3
147.11732	1.3
149.13261	3.4
149.32039	0.4
151.14836	1.5
159.02942	0.9
159.08017	0.5
159.11714	1.0
160.11189	1.2
161.11606	1.0
161.13306	1.6
163.03906	1.4
163.14856	2.3
165.12796	0.5
166.08635	1.0
167.14380	0.8
177.16435	0.7
191.17949	0.6
193.05064	0.7
197.70876	0.6
199.14859	0.7
201.16463	0.6
203.05324	1.9
205.19554	0.6
215.07158	0.7
217.19601	1.9
227.05341	1.1
235.20552	2.7
243.04822	1.0
245.06395	3.5
253.21649	2.9
258.09042	1.9
259.09406	2.9
259.16724	2.1
259.20618	2.0
261.18430	1.4
269.09274	0.5
271.04340	1.0
273.25681	0.7
277.17706	1.8
277.21432	1.0
279.26825	0.7
287.03778	8.4
289.05307	29.2
291.26938	1.9
297.27902	2.0
309.27921	3.4
327.29105	2.0
345.29828	1.0
347.25616	1.2
361.13721	0.7
421.21417	0.7
437.17905	0.8
439.22946	1.6
463.22842	2.5
465.21576	0.6
481.24188	8.7
489.21237	1.2
507.21594	10.1
525.23108	100.0
525.30066	6.7
526.23199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3718
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	1.3
56.05035	1.4
57.03433	0.7
57.07087	4.0
58.06601	1.1
60.07887	0.9
60.08171	15.2
67.05492	2.0
69.07044	1.0
69.52699	3.7
71.07394	5.5
71.08617	2.1
79.05492	1.0
80.16954	0.6
81.03407	1.4
81.07058	2.2
82.03742	0.7
83.08624	0.9
85.10187	1.1
86.09714	47.0
91.05486	1.0
93.07028	1.1
95.08614	1.6
97.10153	0.9
98.98486	2.7
104.10751	100.0
124.99093	1.4
125.00018	27.8
147.58879	0.7
163.01663	0.8
163.04883	0.7
181.02477	0.7
184.07355	97.4
258.11041	1.3
267.15945	1.5
268.16241	1.4
314.27808	0.9
341.30508	1.6
412.80249	0.7
506.35806	8.6
524.37122	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	525.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	9.0
64.84653	4.2
69.50402	8.3
69.50817	20.3
83.45488	4.2
98.21658	4.9
98.97588	87.3
101.00913	4.8
105.45415	4.0
111.17021	4.2
116.98631	45.6
119.01926	12.5
122.10123	4.9
132.32140	3.8
134.99706	14.2
177.01035	24.2
178.00989	7.1
183.11395	4.2
219.02022	32.8
220.02206	5.2
235.00015	6.8
240.98836	15.0
243.01953	9.1
258.99841	100.0
260.00156	5.7
261.03079	91.4
262.03174	20.0
263.02921	15.4
275.98141	5.3
277.00888	81.2
281.49835	4.9
283.00000	41.9
284.00052	9.6
284.99844	12.6
289.62640	5.0
300.02319	6.1
301.00998	40.0
302.01114	9.5
303.00949	7.2
316.98865	9.2
355.93900	17.3
359.00012	6.6
364.99243	6.6
379.93732	6.3
383.00089	34.4
396.94580	6.5
397.94824	13.6
401.01193	88.9
419.02283	6.5
421.94687	9.1
426.90598	5.2
438.90598	5.7
447.91077	6.4
448.90591	4.9
482.93158	15.7
483.43784	7.6
492.90189	6.0
501.91934	28.8
502.42285	14.5
503.94135	5.6
504.42004	4.8
506.96960	13.4
510.92429	10.1
519.91925	26.1
520.91595	4.8
522.39435	7.3
522.92352	5.2
524.94220	4.0
525.01318	80.0
531.91699	5.0
536.31049	4.4
537.92798	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92972	0.5
53.03945	1.9
53.29849	0.5
55.01878	1.1
55.05268	0.8
55.05513	10.8
57.03440	4.4
57.07077	29.3
60.25768	0.5
63.05325	0.5
65.03946	1.2
67.05508	19.9
69.03428	2.3
69.07071	8.2
71.05006	2.5
71.08633	19.2
71.54774	0.5
72.14000	0.6
75.53693	0.6
79.05495	11.7
81.03419	31.0
81.07059	22.6
83.04986	5.3
83.08623	20.0
83.09128	0.8
85.02908	15.5
85.06561	1.2
85.10187	9.7
91.05486	12.7
93.07049	7.9
95.04967	12.5
95.08612	18.2
97.02905	1.2
97.06511	1.5
97.10171	5.0
99.11774	0.6
100.21978	0.5
101.80524	0.5
105.07035	10.3
107.04955	3.2
107.08613	3.3
108.11142	0.5
109.06510	1.8
109.10162	8.5
111.04436	1.7
111.08081	4.4
111.11715	0.6
113.05994	1.5
115.05469	0.7
117.01778	0.5
117.07035	0.7
119.08587	8.4
121.10147	5.0
123.08122	1.0
123.11708	3.2
125.09603	1.0
129.07011	3.9
131.08565	4.7
133.06450	0.7
133.10141	3.4
136.93112	0.9
137.09602	0.7
137.13248	1.7
142.07777	1.3
145.10086	0.6
147.08057	0.9
147.11693	6.7
149.09599	2.8
157.10130	6.4
165.12743	1.2
172.95328	1.0
175.11200	7.6
193.12254	26.7
211.13298	32.7
218.55373	0.5
221.22595	0.6
224.49576	0.4
239.23787	4.9
249.14999	0.5
263.72940	0.5
267.15897	6.8
282.25650	0.5
285.16901	0.6
313.27347	6.5
325.31592	0.6
357.56879	0.5
440.83694	0.6
505.38861	3.4
523.39966	100.0
524.40302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21482	2.0
53.03948	4.3
55.05511	11.1
57.03442	15.6
57.06836	3.2
57.07080	39.1
59.94855	2.5
67.05507	20.6
68.52850	2.1
69.07086	11.1
69.82693	10.0
71.08633	26.6
79.05509	14.7
80.24081	2.1
81.03426	84.3
81.07062	28.3
83.04978	5.0
83.08624	19.8
84.86549	2.2
85.06539	2.6
85.10198	16.0
91.05488	18.8
93.07046	9.0
95.04983	23.7
95.08630	24.5
97.02933	2.4
97.06557	2.2
97.10176	5.6
99.08121	2.5
105.07033	12.9
107.04953	4.3
107.08588	4.3
109.06496	2.8
109.10168	9.5
111.08070	6.6
111.12715	2.0
114.87868	2.1
117.07026	2.2
119.08569	12.9
121.06551	4.3
121.10136	7.1
123.11724	2.7
129.07024	8.9
131.08607	5.4
133.06554	2.6
133.10127	5.9
137.09579	2.6
147.11707	7.9
149.09705	4.2
157.10222	10.7
165.12730	2.4
175.11189	7.1
183.44098	2.0
193.12257	41.8
211.13290	3.7
220.33704	2.2
239.23679	6.2
249.14922	4.5
267.15942	100.0
299.27698	2.3
304.20831	2.2
313.27393	94.6
505.39047	60.2
523.25769	15.2
523.40051	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.3
57.03441	5.4
57.07083	31.0
67.05505	25.2
69.07065	8.8
69.21626	2.0
69.21935	23.6
71.04990	3.5
71.08641	20.1
79.05502	13.4
81.02493	1.9
81.03418	28.9
81.07054	23.7
82.33598	2.5
83.04986	7.9
83.08617	18.8
85.02903	13.7
85.10178	12.8
85.64973	2.6
91.05489	17.7
93.07042	9.4
95.04455	2.4
95.04985	14.0
95.08604	20.4
97.10188	5.9
105.07026	9.8
107.08581	4.4
109.10149	10.4
111.08072	4.6
119.08599	10.7
121.10125	3.1
129.07043	7.1
131.08594	4.9
133.10123	4.8
137.13255	2.9
147.11676	9.2
149.09706	4.4
157.10136	4.9
175.11148	6.2
193.12262	28.6
211.13303	33.7
239.23790	5.6
267.15887	7.1
313.27292	9.7
315.17398	2.2
366.92294	2.4
505.38782	5.6
523.39948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01867	3.3
55.05307	0.7
55.05515	7.7
57.03441	2.2
57.07065	4.2
61.02916	1.5
61.89446	0.8
67.05508	13.5
68.99786	1.0
69.03437	15.0
69.07076	6.3
71.04989	2.4
71.07667	1.8
71.07989	0.9
73.02914	1.3
79.05499	16.1
81.03419	7.8
81.07066	9.4
83.04985	12.4
83.08607	2.8
85.02909	11.1
85.06550	29.0
87.00861	4.8
91.05483	9.0
93.07044	16.9
95.04971	6.1
95.08607	18.5
97.02898	6.1
97.06506	2.2
99.04455	2.4
99.08094	9.2
103.03917	0.9
105.01877	2.6
105.07041	12.8
106.07813	0.9
107.04958	5.3
107.08595	16.8
109.02876	6.2
109.06512	5.8
109.10158	10.1
111.04467	0.9
111.08058	2.8
113.05974	1.6
113.09629	2.7
115.03920	1.7
115.05439	1.5
117.06992	3.5
119.07806	1.6
119.08588	20.6
120.09357	0.9
121.06511	11.2
121.10153	17.2
122.07289	4.1
123.04403	4.1
123.08096	4.9
123.11732	2.5
125.05979	1.2
125.09633	8.3
127.03917	8.4
127.07555	1.6
128.06198	1.2
129.01826	1.4
129.06981	2.6
130.07800	1.9
131.08563	12.4
133.06477	1.2
133.10136	17.1
135.08057	7.8
135.11708	7.7
137.09624	35.4
139.07521	1.6
139.11172	4.2
141.06985	1.3
142.07771	1.5
143.08578	4.6
144.09344	2.5
145.04945	2.6
145.06482	1.6
145.10126	15.6
147.08023	5.1
147.11707	7.8
149.09619	18.6
149.13307	1.6
151.07588	1.6
151.11130	5.4
153.09114	4.5
155.08528	2.3
156.09357	2.7
157.10110	5.9
158.07219	1.4
158.10817	2.2
159.02890	2.1
159.08047	9.8
159.11714	9.3
161.09648	10.3
161.13261	4.0
162.10402	1.3
163.07492	2.0
163.11201	9.3
163.14789	2.8
165.09111	3.1
167.07014	1.2
167.10727	1.1
168.09360	1.1
169.10138	2.8
170.10921	0.9
171.08040	1.3
171.11671	5.1
172.08838	1.8
173.09657	7.9
173.13264	23.5
174.10440	1.4
175.11177	6.9
175.14844	2.6
177.05417	1.0
177.09109	2.6
177.12741	3.8
179.10646	3.1
181.12241	1.2
182.10870	2.2
183.11723	4.4
185.09573	1.9
185.13243	2.3
186.10468	1.8
187.07614	1.1
187.11201	4.6
187.14877	5.6
189.12796	6.7
191.14304	11.2
195.11745	1.9
197.13263	3.4
199.11163	2.5
199.14894	4.5
201.12741	15.7
203.14229	2.1
205.12209	4.9
207.13777	4.7
211.11208	1.2
211.14798	1.5
213.12726	1.5
213.16403	1.4
215.14288	12.0
215.17871	2.5
217.12259	1.1
217.15862	7.9
219.13820	9.4
227.14206	1.3
229.12262	1.2
229.19466	1.5
230.12990	0.9
231.04991	1.4
231.13852	1.9
231.17532	1.5
233.15335	2.6
239.17915	2.4
253.15816	1.0
255.17538	1.3
257.15073	1.1
257.19040	20.6
269.19000	1.5
275.20071	100.0
285.18372	1.6
287.20026	1.7
299.20081	2.5
303.19528	1.3
317.21057	1.6
327.19104	1.1
341.21173	2.1
347.19839	1.2
365.21005	4.6
383.22107	4.1
401.23358	1.7
419.25073	1.4
451.30496	1.0
469.22031	1.1
479.22311	0.9
487.23227	3.9
505.24118	3.1
523.25220	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	522.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89891	0.6
53.03947	1.2
55.05274	0.9
55.05514	10.5
57.03441	6.7
57.07056	1.9
60.04507	0.8
60.08166	6.4
61.08486	1.0
65.03923	0.9
67.05507	22.8
69.06738	1.1
69.07074	16.1
71.04974	0.7
71.07364	2.0
71.08633	0.7
71.55396	0.9
79.05491	7.0
81.07060	27.2
83.04972	1.1
83.08630	7.2
85.06541	1.2
86.09711	15.6
87.10029	4.5
88.03999	5.4
88.10350	0.9
91.05483	4.9
93.07034	6.4
95.08608	19.9
97.06502	2.0
97.10162	2.4
98.98481	5.3
104.10744	25.5
105.07042	3.3
105.10430	0.6
105.11069	8.6
106.05029	1.7
106.11188	1.9
107.08579	4.1
109.10154	8.9
111.08083	1.1
111.11710	0.9
119.08559	2.4
121.10160	3.2
123.11707	2.2
125.00002	9.0
126.00378	2.1
127.00426	1.6
133.10130	3.1
135.11713	1.5
137.13280	0.9
147.11700	1.5
149.13310	1.2
161.13281	1.3
173.02080	1.4
184.07355	27.3
185.07733	12.0
186.07790	8.6
192.43382	0.6
198.97505	1.6
209.15749	0.6
263.23740	1.4
304.97385	0.8
337.27380	100.0
338.27960	0.9
350.26978	1.6
414.61826	0.8
462.52307	0.8
477.98306	0.7
504.33157	3.0
522.26398	1.6
522.34485	14.4
522.41693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
57.03435	1.1
57.07071	1.4
62.48457	1.1
63.27378	0.8
65.00214	0.9
67.05511	6.0
69.03418	2.2
69.07076	6.1
70.06580	3.5
71.33418	1.7
79.05480	2.1
81.03410	3.4
81.07059	5.5
83.08617	1.5
84.04502	1.0
84.08124	2.0
85.02905	3.3
85.06532	1.4
86.09698	5.4
88.07640	2.9
91.05489	6.1
93.07043	5.2
95.08615	16.5
96.14700	0.9
97.02882	1.2
103.05478	1.3
104.07133	1.3
104.10754	1.1
105.07032	9.1
107.08614	4.9
109.10159	21.9
117.07035	1.2
119.08585	37.9
120.08124	2.3
121.06549	1.5
121.10143	3.7
123.08052	1.1
123.11681	2.5
125.09587	1.2
131.08592	2.3
133.10136	40.7
135.10828	1.1
135.11707	9.2
137.05994	1.2
137.09608	8.0
145.10103	3.5
146.50124	1.0
147.11687	10.0
149.13225	2.3
151.07484	1.1
151.14832	4.3
156.01549	0.9
159.11610	1.0
167.06963	1.4
173.05930	2.2
175.07506	0.9
175.14835	100.0
177.05443	1.6
184.07399	1.4
193.15891	32.5
201.05469	13.7
231.06393	1.2
252.09314	2.1
266.14633	1.2
290.15631	4.1
342.26474	1.4
355.11768	2.8
360.27353	1.4
522.20905	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	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
56.05029	0.5
58.06612	0.2
60.08168	5.5
69.07059	0.7
69.80395	0.9
71.07384	2.5
74.59681	0.2
86.09713	28.2
98.71233	0.2
98.98473	2.5
104.10751	3.0
125.00015	19.6
136.93112	0.2
151.62022	0.2
154.94156	0.3
184.07355	100.0
185.07655	0.3
258.11029	0.2
377.58835	0.2
410.34134	0.2
504.34717	1.2
522.35583	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	523.2156
Annotation	Isobrucein A
Peak:m/z	Relative Intensity
55.05492	2.0
65.03931	0.9
67.05176	0.6
67.05504	3.0
69.03422	1.8
69.07059	2.5
70.06577	1.1
70.75397	1.8
71.04998	1.0
76.90450	0.7
79.05489	2.3
81.03415	1.1
81.07049	5.8
83.05005	1.0
85.02901	2.4
85.06532	2.6
87.00793	0.8
91.05470	1.7
93.07030	3.6
95.04977	1.4
95.08618	5.2
95.98901	0.7
97.02892	2.1
97.06542	3.2
98.97581	1.1
99.08121	0.9
105.07043	3.0
107.08593	3.2
109.02876	1.0
109.06532	0.8
109.10151	1.8
111.08078	1.0
119.08580	2.8
119.54784	0.7
121.10153	2.4
123.11685	1.1
125.09592	1.0
127.03946	1.4
129.06935	0.9
131.08578	1.5
133.10080	1.6
135.07961	0.9
135.11722	1.6
142.07761	0.8
145.02861	0.9
145.10092	1.4
147.03142	0.7
147.11722	1.2
149.13348	1.2
157.10027	0.7
159.11707	1.5
163.03819	1.1
173.02258	1.1
173.13174	1.0
175.14838	1.0
177.00754	0.8
185.04240	1.3
215.07007	1.1
227.05280	2.2
230.37788	0.7
243.04784	1.5
257.15192	2.6
257.18948	1.5
258.08771	0.9
259.09668	2.2
260.09897	0.7
271.04193	1.8
273.56952	0.7
275.16180	1.7
275.20157	1.4
289.05350	1.2
290.64758	0.7
307.26440	2.7
320.22000	0.8
325.27457	1.5
419.20380	8.4
437.21536	5.7
443.20578	1.2
461.21451	22.1
479.22565	14.5
505.20468	100.0
506.20901	0.9
523.21558	63.2
523.28418	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	522.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00483	0.7
51.02380	1.0
53.03939	2.5
55.01867	1.0
55.05512	1.1
56.05038	1.0
56.41682	0.8
56.43956	0.8
57.03443	0.9
65.03935	0.9
67.05496	3.5
69.03413	2.1
69.07069	2.0
70.06588	1.0
70.12854	3.1
71.05003	1.4
78.04705	1.9
79.05490	5.8
81.03424	32.3
81.07053	3.0
83.04988	2.6
85.02896	3.2
85.06561	1.0
86.09693	2.5
89.54703	0.8
91.05489	8.5
93.07053	9.5
93.95487	0.8
95.04967	3.5
95.08601	2.3
97.06548	1.8
98.20806	1.0
99.04456	2.3
103.05470	10.0
105.07055	4.6
106.04156	1.3
107.04966	9.2
107.08596	2.5
109.02828	1.2
109.06518	1.4
109.10165	2.0
111.04395	1.1
115.05479	9.0
117.07021	9.1
118.04128	1.7
119.04935	1.4
119.08567	2.2
120.08119	3.5
121.06514	46.7
121.10183	0.8
122.03653	1.7
123.04480	4.5
124.05211	2.3
125.05994	0.9
127.03979	1.3
128.06245	1.0
129.07054	1.5
131.04930	8.0
132.05696	1.3
133.06502	1.6
133.10118	3.6
135.04381	1.5
135.08018	1.0
136.07617	1.1
137.05998	24.1
138.09167	2.3
140.04691	1.7
143.04892	4.9
144.05690	2.5
145.02953	1.1
145.06503	14.2
145.10118	1.6
146.03662	4.8
146.04665	0.9
146.06036	1.2
147.04457	1.5
147.08022	1.7
148.05142	1.0
148.07477	1.1
151.03932	3.4
151.07564	1.1
152.04704	2.0
153.01793	0.9
153.05452	1.1
155.06030	2.4
155.07051	2.0
157.06471	1.0
160.05212	12.4
161.06006	12.9
161.09653	3.4
163.03841	0.9
163.07571	5.1
163.11160	2.8
164.07063	5.8
167.07051	100.0
172.05177	4.3
173.05986	13.5
173.09506	1.0
174.06746	1.5
175.07555	51.4
175.14783	1.3
177.05547	1.7
177.09145	1.8
179.10634	4.6
182.08130	1.1
187.07555	36.0
189.05476	1.1
190.06250	5.1
191.06999	4.1
193.08662	0.9
197.08302	1.2
201.05457	7.0
203.07027	1.7
205.08598	10.9
207.08098	1.3
207.10173	2.0
217.08571	3.8
219.08150	1.2
221.09616	1.5
223.07515	1.0
231.06400	1.2
233.08095	3.1
234.06787	2.4
235.07629	1.8
235.09657	31.5
237.09230	1.5
247.07523	1.1
248.08421	1.3
249.09070	3.0
259.09677	2.2
265.08508	1.5
266.09409	1.8
271.16669	0.9
277.08542	4.1
281.11758	2.0
289.10675	4.4
294.08774	1.4
295.09558	1.6
309.11188	7.8
311.09134	1.2
313.10449	1.1
314.11655	1.2
326.11340	4.2
338.13855	2.0
339.12231	2.6
341.09955	1.3
341.13864	18.8
342.12991	1.0
350.13852	1.0
355.11856	1.8
367.12042	1.2
368.14990	6.0
370.16550	4.8
381.22696	3.4
385.12924	1.2
398.15945	3.3
475.14133	0.8
476.92389	0.9
492.19769	1.9
504.19968	2.6
522.20856	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03941	0.9
55.01874	0.4
69.36029	0.7
69.36436	2.2
70.06591	0.5
72.00027	0.3
72.08144	0.5
77.03904	0.4
79.05495	0.7
80.76500	0.4
84.08136	0.4
85.02898	0.9
86.09721	0.6
91.05489	0.7
95.04978	0.5
97.02880	0.5
102.04640	0.4
103.05473	52.2
105.04535	0.5
105.07024	3.8
107.04961	0.4
115.05477	1.3
119.04931	0.8
131.04936	100.0
133.06508	3.7
137.05983	3.8
143.06105	0.4
147.04424	1.6
161.05991	11.5
163.07555	30.1
172.05319	0.4
175.07581	1.2
179.07106	1.0
187.07614	1.9
193.87711	0.4
217.08551	0.4
279.10178	0.4
291.10129	0.5
311.12683	1.0
342.13184	0.5
359.14957	0.9
383.97144	0.4
415.49500	0.4
521.21539	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01872	2.4
55.05511	10.3
57.03428	1.4
57.07080	24.2
59.83654	1.5
67.05508	23.3
69.07078	10.4
69.61958	7.3
71.04976	2.5
71.08642	16.6
79.05497	23.5
81.03423	3.6
81.07066	22.5
83.04973	2.7
83.08618	11.1
85.10179	6.6
86.09735	1.6
86.74731	1.4
91.05494	6.1
93.06483	2.3
93.07057	31.0
95.04973	6.5
95.08617	41.1
97.02888	4.0
97.06520	2.5
97.10165	5.0
99.04461	4.0
101.77158	1.6
105.07047	4.0
107.04967	7.9
107.08608	24.9
109.06544	2.2
109.10172	9.1
111.04494	1.6
112.97906	1.6
117.07030	6.8
119.08594	6.8
120.61289	1.5
121.06516	4.4
121.10155	8.7
123.11703	5.1
130.07808	2.7
133.10135	2.7
135.08089	3.0
135.11697	35.4
145.10146	22.4
163.11191	44.6
177.94373	1.6
181.12250	9.3
184.07460	2.0
209.11780	2.8
227.12799	100.0
239.23805	2.9
521.38434	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04669	0.3
53.03947	0.5
55.01874	0.7
58.81530	0.2
61.63777	0.2
62.52070	0.2
67.01872	3.6
68.99781	2.0
69.03422	1.7
69.48309	0.4
69.48717	1.2
71.04986	0.6
73.02905	0.3
78.60359	0.3
81.03426	2.3
81.07056	0.5
83.01337	0.3
83.04938	0.3
85.02909	4.0
86.09693	0.5
87.00851	1.5
91.05490	2.0
93.07027	0.5
95.04913	0.5
95.08620	0.3
97.02875	1.7
97.06494	0.3
98.21431	0.5
99.04456	0.5
105.01862	0.9
105.07023	0.3
107.04951	1.4
109.02885	1.9
111.00786	0.5
117.01848	0.3
119.04945	5.5
119.08624	0.3
121.06509	2.2
123.04449	1.3
125.02399	0.4
127.03930	3.4
129.01857	0.6
133.10081	0.3
145.05011	1.0
147.04414	19.9
151.03905	0.3
153.01833	96.3
159.02892	1.2
166.95187	0.2
171.02896	15.7
179.03400	1.8
189.05493	0.4
195.02876	1.0
219.02994	0.4
231.04869	0.4
232.64613	0.2
255.06607	0.3
261.04050	0.3
273.07578	100.0
274.07843	0.4
297.07632	0.5
401.07187	0.8
521.20294	0.3
542.72614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05508	0.9
55.27524	0.3
56.05021	1.0
58.06602	1.2
59.07367	0.4
60.08167	13.2
62.79667	0.4
67.05501	2.9
69.07066	1.2
69.75720	1.6
71.07376	5.4
78.49623	0.3
79.05485	0.9
81.07059	2.6
82.82909	0.3
83.08627	0.5
86.09708	46.4
91.05481	0.9
93.07037	0.7
95.08615	2.2
97.24054	0.3
98.98466	3.9
104.10745	76.8
109.10164	0.5
119.08565	0.4
121.10101	0.4
125.00007	27.8
163.01532	0.4
184.07347	100.0
187.77806	0.4
231.20966	0.4
249.22038	0.5
258.11026	0.9
337.27344	1.0
382.50455	0.3
402.12479	0.3
439.16083	0.4
442.87582	0.4
443.25537	0.4
460.99731	0.3
495.82501	0.4
502.32980	7.3
520.34015	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.0
58.06608	0.5
60.08168	6.4
67.05510	0.6
69.07070	0.3
69.87425	1.2
71.07368	4.0
81.07053	0.6
86.09712	34.6
89.92102	0.2
97.05305	0.3
98.98473	4.1
104.10756	4.0
109.10174	0.3
125.00011	25.9
184.07349	100.0
184.61952	0.2
185.07793	0.3
502.33319	1.4
520.33978	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	520.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.05045	0.7
57.05819	0.5
67.05489	0.5
69.03452	0.4
69.07074	8.7
70.02959	1.4
70.06589	1.2
70.44214	0.8
70.44576	0.7
71.04987	0.5
72.08152	0.7
79.05476	0.7
81.05799	1.3
81.07079	0.4
82.06573	1.0
84.04520	0.4
84.08141	1.2
85.02910	1.1
85.04043	0.5
86.06081	0.9
86.09710	100.0
91.05475	1.6
93.07023	1.0
94.06567	1.1
96.08141	5.5
97.02934	0.6
97.06505	0.5
98.02420	0.9
98.09709	1.3
98.97602	0.6
101.06036	0.5
104.06242	0.4
105.03407	0.6
105.07044	1.0
107.04934	0.4
107.08593	0.6
108.08124	0.6
109.02920	0.6
110.06053	0.4
110.09699	1.4
111.04462	0.5
112.05097	0.8
113.03487	3.4
115.05491	1.0
116.10760	0.9
117.07072	0.4
119.04951	1.0
119.08549	0.5
120.08075	0.4
121.06606	0.6
122.06101	0.7
123.04488	0.5
124.07624	0.4
125.03533	2.2
127.03969	0.6
131.04950	0.7
132.08131	0.9
133.06459	0.5
134.06035	1.1
136.07578	2.4
137.06001	1.4
137.08386	4.0
138.06398	0.5
138.09166	1.7
139.08670	0.6
141.10245	5.7
142.08661	0.9
143.04985	0.4
146.06049	0.9
147.04413	3.1
148.07542	0.4
151.03925	0.5
153.10234	0.5
154.11015	4.7
154.15906	5.9
155.11861	0.7
155.17114	0.4
160.07587	17.8
162.05524	1.4
164.07115	1.2
165.05528	1.2
170.06049	0.4
171.04396	3.2
172.04036	0.5
173.04274	0.5
175.06374	1.0
176.07106	0.8
177.05600	0.7
177.10219	0.9
181.09741	5.0
182.08167	4.3
186.05559	1.5
188.07124	1.0
189.05472	6.0
190.05002	5.2
193.09814	0.9
198.12396	2.2
199.18062	2.8
203.08159	10.4
204.06593	3.0
205.06892	1.3
206.08128	12.5
209.16527	0.5
212.16472	0.5
214.05138	1.3
215.11842	2.7
222.07715	1.2
223.10835	1.2
226.11951	1.4
226.14203	0.5
227.17523	2.6
231.07701	1.6
231.10005	0.6
232.05980	3.0
239.10146	0.4
243.11435	0.5
244.15471	2.2
245.16508	0.9
246.14984	0.9
248.12889	0.9
249.08717	19.2
250.07135	0.5
259.11105	0.4
266.11447	1.2
271.14514	1.0
273.15778	0.4
274.14447	0.7
277.08325	1.0
291.17029	7.1
295.16580	3.9
299.13904	0.8
316.16766	0.7
317.14981	3.6
319.16714	1.5
322.06461	0.4
322.17667	0.7
328.20380	0.4
334.17630	1.6
336.19388	0.5
341.62015	0.6
345.14490	0.5
352.18158	0.4
358.14523	0.9
361.18777	1.0
362.17111	3.8
379.19769	34.8
388.19632	0.5
389.18250	1.2
390.16602	2.3
390.42184	0.4
404.25592	0.5
406.20789	1.0
407.19269	21.1
430.23804	0.5
431.18756	0.3
447.25967	2.0
455.85193	0.4
457.24350	0.6
475.25522	8.0
486.22318	0.7
492.28180	22.8
502.26767	2.2
503.25146	3.0
520.20850	1.8
520.27747	28.8
521.21851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
56.05030	0.5
69.07072	8.3
69.73351	1.8
70.02944	0.7
70.06596	1.0
81.05802	1.1
82.06596	1.0
83.04990	0.4
84.08160	0.7
85.02901	0.4
85.04019	0.8
85.08889	0.4
86.06063	1.0
86.09710	100.0
90.92290	0.3
91.05467	1.4
94.06567	0.7
94.07809	0.6
96.08130	4.3
96.45751	0.4
97.04074	0.5
98.02444	0.7
98.09711	1.1
98.20828	0.6
104.06313	0.3
105.06991	0.3
107.04961	0.7
108.08140	0.6
110.09694	1.0
112.05105	0.8
113.03489	3.4
115.05519	0.5
116.10738	0.7
117.07059	0.4
119.04947	1.0
120.08110	0.7
122.06021	0.6
125.03488	2.5
132.08119	1.1
134.06039	0.8
136.07605	1.6
137.06044	0.8
137.08362	3.1
138.09167	1.2
139.08681	0.6
141.10228	5.8
142.08603	0.6
143.04929	0.6
146.06035	0.5
147.04413	3.2
148.07576	0.4
153.10263	0.8
154.11008	4.9
154.15913	6.2
155.11826	0.8
160.07590	16.2
161.06044	0.4
162.05534	0.7
164.07111	0.7
165.05495	1.2
171.04445	2.4
174.05553	0.5
175.06393	1.2
176.07053	0.9
177.10339	0.6
180.11372	0.4
181.09732	5.5
182.08138	4.1
186.05539	1.3
186.08937	0.4
188.07089	0.7
189.05464	6.2
190.05008	5.5
193.09792	0.5
198.09178	0.3
198.12378	2.2
199.18056	3.3
202.12341	0.6
203.08150	9.7
204.06633	1.7
205.06906	0.4
206.08142	13.0
209.16666	0.5
214.04976	2.3
215.11823	1.0
222.07739	0.7
226.11954	1.8
226.14417	0.8
227.17566	2.6
231.07697	1.4
231.10083	0.6
232.06059	2.3
239.10367	0.7
244.15477	0.9
245.16513	1.0
246.15030	0.8
248.12923	1.0
249.08720	19.6
260.81717	0.4
266.11499	2.0
271.14536	0.8
274.14502	0.5
277.08307	0.6
288.17313	0.4
291.17035	6.6
291.20157	0.6
294.10925	0.6
295.16571	4.8
299.13907	0.5
316.16605	0.9
317.15015	3.8
319.16638	1.3
334.17529	2.1
345.14581	0.6
361.18762	1.0
362.17096	3.2
363.22879	0.8
374.17529	0.4
379.19766	40.1
389.18243	0.7
390.16565	2.8
406.20871	0.7
407.19293	24.1
430.23520	0.7
447.25876	1.7
458.23044	0.6
475.25568	6.8
486.22479	0.5
492.28189	20.6
502.26639	1.2
503.25003	2.8
520.20959	1.6
520.27734	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01870	3.4
55.05509	2.8
55.16623	1.1
56.05027	1.6
56.11967	1.1
56.96566	3.2
57.03431	3.5
57.07085	1.8
59.13010	1.0
61.02927	3.4
62.85433	1.1
64.70290	1.3
65.81177	1.2
67.05508	7.1
69.03436	10.0
69.07060	3.7
69.11909	1.2
70.06598	22.3
71.04994	2.2
71.53573	2.1
72.08152	3.1
73.02912	3.1
79.05492	5.7
80.05048	1.3
81.03426	8.0
81.07054	11.6
83.08614	1.5
84.04502	3.5
84.08144	3.2
85.02914	22.7
86.09713	10.3
87.00823	7.2
89.09550	1.2
91.03949	1.6
91.05462	8.1
92.59663	1.2
93.07051	17.9
95.04975	3.2
95.08612	14.0
97.02906	11.2
97.06547	2.0
98.06072	3.1
98.97581	5.7
99.04454	3.7
103.05492	1.2
105.01875	11.4
105.07028	16.7
107.04971	1.6
107.08604	20.5
109.02880	8.2
109.06527	3.3
109.10159	11.6
111.08076	3.8
113.07037	1.1
116.07123	2.1
116.98643	1.5
117.07020	4.1
119.08584	15.9
121.10143	11.4
123.11688	1.7
124.99114	1.2
125.21889	1.3
126.05541	2.0
127.03941	13.9
129.06967	1.7
129.10190	1.1
130.07802	1.8
131.00110	2.3
131.04861	1.6
131.08568	10.0
133.10133	9.0
135.11684	6.9
136.07608	1.7
137.06035	2.0
143.00209	1.2
145.02802	3.0
145.04988	6.0
145.10135	30.6
147.04430	5.0
147.11685	3.9
149.01270	2.5
149.13237	1.7
159.02872	2.3
159.11696	18.5
161.13274	4.8
163.11208	4.2
173.13231	7.4
175.14839	6.6
177.05472	3.8
177.16460	2.4
180.07233	2.2
181.12190	1.9
183.14955	1.7
191.17953	4.8
199.14699	2.0
201.00717	1.4
201.16388	100.0
203.17953	4.7
213.04034	1.4
213.12358	4.9
219.01747	1.9
219.17450	67.8
231.04973	5.4
237.02927	1.7
237.18477	12.2
239.08533	2.8
249.05862	1.6
261.09906	3.8
310.17633	6.7
324.11472	7.2
333.12054	4.7
340.15506	1.6
342.12683	11.3
342.62622	1.7
407.22986	1.9
449.21912	1.6
467.22803	2.8
502.20163	1.4
520.21002	2.2
520.30499	1.6
521.21521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
57.07081	2.5
67.05504	14.5
69.03434	7.7
69.07082	2.5
69.34566	14.1
70.06591	2.6
72.08162	2.9
79.05507	2.4
81.03427	1.9
81.07064	3.2
83.04998	2.2
85.02913	7.9
85.06554	8.1
86.09703	4.7
86.64304	1.4
87.04485	3.6
91.05460	2.5
93.07060	6.4
95.04984	3.7
95.08612	66.1
97.02888	8.6
97.06522	2.1
98.21471	3.1
98.97549	2.0
105.07039	5.5
107.08607	9.0
109.06505	3.3
109.10149	2.3
113.06010	11.8
115.03937	4.9
117.07030	2.3
119.08576	13.4
121.10171	5.4
123.08082	28.4
123.11732	2.8
130.07832	1.5
131.08545	1.7
133.04964	4.9
133.10159	2.8
135.11674	9.9
137.05908	2.9
137.09650	3.3
147.11696	6.1
149.09637	29.9
151.07593	6.4
151.14853	2.2
161.09581	2.0
161.13254	12.3
163.11179	8.4
165.12796	3.9
171.11726	1.5
174.10452	1.8
179.14383	2.4
189.12781	14.0
207.13808	100.0
225.14902	7.2
260.08981	2.9
270.04681	1.6
299.06229	2.0
344.98270	2.2
411.51181	2.0
415.04013	2.0
519.18237	6.0
519.24097	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	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74450	0.2
59.84320	0.2
67.96151	0.3
69.37569	1.8
69.37976	0.4
98.20748	0.3
98.97655	0.3
103.88036	0.3
203.05363	0.5
259.08032	0.8
283.15323	0.4
339.17578	0.4
357.18829	2.8
360.85223	0.3
459.22089	0.6
487.21683	0.9
501.23026	0.3
510.31500	0.3
519.24176	100.0
520.23865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16451	0.2
69.36382	1.3
70.06586	0.2
77.11300	0.2
81.03432	0.3
81.07056	0.2
85.02896	0.2
86.09697	0.4
91.05459	0.2
93.07024	0.4
95.08611	0.3
105.07028	0.3
107.08591	0.4
107.90386	0.2
119.08564	0.2
127.03909	0.2
134.11205	0.2
137.05949	0.5
138.03174	0.2
147.11847	0.2
166.00885	0.2
175.07602	0.3
184.07333	0.4
198.03564	0.2
203.05302	0.6
207.13788	0.2
237.03018	0.2
258.16592	0.2
259.07907	1.3
283.15222	0.3
287.05533	0.4
297.11560	0.2
325.16342	0.3
339.17737	0.2
357.18796	2.8
365.05219	0.2
392.94275	0.2
452.74973	0.2
459.22037	0.7
469.20428	0.4
487.21585	2.8
501.23010	0.5
519.24133	100.0
520.24603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01865	5.2
55.05268	3.2
55.05516	44.7
57.03415	4.8
57.07072	3.9
59.04988	6.2
60.85684	2.2
65.03934	2.9
67.05507	100.0
69.03429	2.4
69.07067	13.3
71.01350	2.6
71.04973	6.5
71.54387	2.8
72.08140	2.5
79.05495	30.4
81.03417	40.2
81.07053	33.3
83.04983	15.6
83.08631	26.0
85.02888	11.7
85.06528	3.8
86.09706	14.7
87.04459	5.4
91.05482	33.1
93.07048	20.5
95.04977	15.5
95.08611	19.8
97.02900	2.4
97.06577	2.9
97.10175	23.4
99.08100	2.4
104.10724	2.3
105.07040	15.5
107.04929	5.8
107.08588	19.5
109.06528	3.7
109.10159	75.7
109.93219	2.6
110.56918	2.3
111.04433	2.5
111.08070	8.8
117.07041	5.2
118.14355	1.9
119.08597	16.9
121.06525	3.1
121.10119	6.2
123.08064	3.2
124.99973	11.2
125.09639	24.9
129.06989	7.3
131.08539	10.4
131.55209	2.2
133.10097	10.4
135.11696	6.3
137.09592	8.3
145.10040	10.5
147.08066	3.3
147.11708	10.9
149.09631	5.7
153.12692	3.5
155.10649	13.8
157.10133	12.9
157.12254	2.6
163.11172	8.7
165.12718	3.6
173.11749	71.9
175.11174	14.0
180.41136	2.5
181.12187	4.9
184.07338	52.4
189.04158	2.3
191.10658	3.3
193.12263	44.1
209.11688	10.3
211.13313	25.7
223.13351	3.2
225.14822	4.2
227.12775	6.0
258.27527	2.2
378.17984	2.6
423.23386	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36413	0.6
67.36897	0.7
69.03487	0.7
70.92210	1.6
73.04735	1.0
115.05452	1.3
117.05729	0.9
118.05723	0.9
118.06548	18.3
130.06499	1.9
132.08092	4.9
138.40150	0.8
142.06509	1.9
143.07306	1.6
144.08090	13.2
144.09113	1.3
146.06012	60.0
159.09177	5.9
160.07607	0.8
167.05583	1.8
170.06042	4.0
188.07074	100.0
205.09734	46.5
299.06204	3.0
344.97769	0.8
415.03745	0.9
446.31445	0.8
500.39529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65698	0.2
52.23001	0.2
56.05026	0.6
57.03444	0.2
58.06366	0.3
58.06627	0.7
59.07415	0.2
60.08168	5.1
67.05500	0.5
70.97848	0.5
71.07381	3.5
81.07056	0.3
82.71644	0.2
86.09712	27.3
95.08580	0.3
98.98470	3.2
104.10751	3.0
125.00014	19.5
131.66461	0.2
172.43433	0.2
184.07352	100.0
185.07693	0.3
195.65031	0.2
211.36992	0.2
211.39304	0.2
390.31165	0.2
470.13217	0.2
500.31284	1.1
518.32391	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93266	0.2
53.97449	0.1
55.05508	0.6
56.05044	1.1
57.03430	0.2
58.01180	0.2
58.06619	0.7
59.07384	0.2
60.08166	11.2
67.05514	1.9
69.07075	0.4
69.98000	0.3
69.98420	0.6
71.07382	4.9
79.05499	1.2
81.07069	1.8
86.09709	39.5
91.05492	0.8
93.07048	1.1
95.08629	1.5
98.20964	0.4
98.98474	3.7
104.10748	45.7
105.07006	0.3
107.08601	0.5
109.10180	0.6
111.15472	0.2
119.08560	0.3
121.10155	0.6
125.00009	25.6
126.93161	0.2
131.08597	0.3
135.11743	0.2
145.10129	0.2
149.13280	0.4
156.32277	0.2
159.11714	0.2
163.01518	0.4
184.07349	100.0
187.01218	0.2
187.14856	0.3
229.19464	0.2
247.20575	0.5
258.10992	0.5
335.26047	0.2
339.25278	0.2
345.66626	0.2
500.31348	3.8
503.28543	0.2
518.32471	17.1
519.32507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.01873	13.8
55.05502	3.1
56.96546	2.9
57.03427	8.4
60.08152	2.4
61.02920	6.5
64.89349	2.4
67.05505	18.2
68.99787	3.6
69.03436	44.0
69.07053	3.7
69.28661	4.5
69.29064	16.1
71.04992	6.3
73.02903	6.8
79.05479	9.6
81.03428	47.9
81.07067	24.7
83.04991	6.0
83.08597	2.8
85.02911	100.0
85.06553	24.1
86.09705	12.4
87.00838	34.8
91.03962	4.0
91.05504	10.8
93.07053	24.7
95.04967	5.5
95.08611	19.1
97.02890	33.2
97.06512	7.3
97.10181	2.3
98.21558	4.6
99.04460	20.1
103.92402	2.7
105.01871	33.7
105.07037	38.2
107.08605	14.4
108.30981	2.4
109.02892	35.9
109.06474	3.3
109.10110	3.7
111.04481	3.1
117.01854	6.7
117.07010	4.6
119.08586	13.9
121.06506	2.4
121.10136	9.9
123.04415	5.2
123.08078	5.3
123.11662	3.6
125.00005	9.3
125.09600	3.0
127.03926	66.4
129.01811	5.2
129.07010	3.2
131.08621	11.1
133.10092	13.2
142.07790	3.4
143.08537	14.9
145.04970	32.3
145.10133	6.4
147.02867	4.9
147.11649	4.5
153.01935	3.1
157.10182	14.8
159.02901	26.0
159.11705	10.4
161.13271	29.4
163.14847	3.9
169.10112	3.2
171.11754	2.6
173.13229	4.2
179.14326	14.6
184.07350	30.5
187.14861	6.3
189.16409	5.3
189.80768	2.6
199.14882	20.9
217.15895	22.9
221.11783	2.2
231.05096	11.2
235.17015	12.1
253.18073	5.3
267.71924	2.4
291.19473	3.1
331.17566	2.8
501.77118	2.6
518.89441	2.8
533.25500	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05841	1.6
53.03951	12.7
55.01877	12.1
55.05519	8.6
56.96572	2.9
57.03445	8.4
61.02922	7.3
65.03950	1.6
66.36922	1.6
67.05518	11.1
68.99791	3.2
69.03435	47.1
69.07066	6.1
70.11755	2.9
70.12170	6.2
71.01357	1.6
71.05000	9.1
73.02930	11.6
79.05501	10.9
81.03423	41.4
81.07058	21.6
83.04977	7.0
83.08640	3.5
85.02911	100.0
85.06541	6.5
86.09698	7.4
87.00835	35.6
91.03950	3.5
91.05492	15.2
93.07049	22.5
95.04983	6.2
95.08614	13.9
97.02903	35.9
97.03524	2.9
97.06537	6.6
99.04459	19.7
103.04002	2.5
105.01882	28.6
105.07043	24.9
107.04980	2.2
107.08607	18.2
109.02886	38.3
109.06555	2.9
109.10152	5.9
111.04452	3.3
117.01872	5.1
117.05521	2.3
117.07008	3.5
119.04985	2.1
119.08578	17.6
121.10140	13.5
123.04419	3.3
123.08084	1.8
124.99996	2.8
125.09666	3.4
127.03927	77.2
128.06241	2.7
129.01846	5.4
129.07007	5.7
130.48724	1.7
131.08598	12.3
133.10144	9.4
134.06015	5.5
135.11684	2.6
141.06979	2.2
142.07785	2.9
143.08560	17.0
145.04968	27.4
145.10127	7.9
147.02888	5.3
147.04425	13.0
147.08064	2.0
147.11691	5.4
148.04742	5.8
153.01842	2.0
155.08589	2.4
157.10141	13.5
159.02888	22.0
159.11678	12.9
161.09612	3.2
161.13263	27.2
162.05511	15.5
163.14819	16.4
171.11714	3.4
173.13307	2.7
175.14859	2.0
179.14351	5.8
184.07358	20.1
185.13226	2.9
189.16360	4.5
197.13368	1.9
199.14839	17.8
201.16397	3.4
213.03903	4.7
217.15895	16.1
231.04985	15.5
235.16904	8.7
251.11803	2.6
253.17992	2.6
285.10104	2.1
309.12482	3.0
355.15189	2.0
369.14432	5.9
518.18774	4.0
518.29639	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24713	0.5
52.99021	0.5
52.99282	0.6
53.03933	0.7
55.01865	1.3
58.06592	0.5
66.70106	0.5
67.05503	5.1
70.06579	0.9
71.01321	0.6
71.04984	0.9
71.52653	0.6
71.53085	1.1
73.02911	0.5
74.07283	0.5
74.09734	0.7
79.05498	1.4
80.05025	0.6
80.50681	0.5
81.03409	0.9
85.02898	1.0
94.06576	3.5
95.04980	8.3
97.02897	14.5
98.06055	3.1
99.04449	0.8
111.04443	1.2
112.03939	1.3
112.07631	2.8
113.06006	1.9
114.05547	0.6
116.07098	1.8
118.08687	1.2
122.06003	3.0
122.56202	0.6
123.04422	4.1
124.55863	0.5
136.98744	0.5
140.07069	38.3
141.05476	10.2
144.73790	0.5
158.08130	20.6
159.06529	2.4
174.89622	4.6
176.09187	100.0
188.91301	0.6
200.07713	11.4
218.08788	1.9
260.09854	3.5
282.18234	0.6
320.11685	1.0
386.61826	0.6
430.40497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59760	0.3
54.56410	0.3
56.96539	0.3
63.02380	0.5
69.03439	1.4
70.06586	0.9
79.05489	0.8
79.60310	0.3
85.02900	1.1
89.03918	4.7
97.02878	0.5
98.97579	0.6
107.04952	1.7
112.07603	0.7
117.03393	5.9
117.23599	0.2
127.03918	0.7
135.04428	14.4
139.03954	0.4
140.07092	0.3
145.02858	10.7
145.03998	0.5
163.03914	100.0
164.04202	0.4
181.05005	0.9
214.90637	0.3
237.00735	0.6
291.62152	0.3
307.08078	0.8
325.09311	1.2
381.05020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
56.96568	0.8
57.76178	0.4
57.86081	0.4
61.02923	1.2
64.32914	0.4
66.22610	0.5
67.05498	0.5
68.56559	0.6
68.74550	0.4
69.03431	2.6
70.06593	1.2
71.53639	0.6
71.79869	0.6
72.08144	0.8
74.00692	0.5
79.05493	1.0
81.03422	0.8
84.08122	0.6
85.02908	7.5
86.09713	0.6
87.05557	0.5
89.03912	4.6
97.02920	2.5
98.97584	1.4
107.04962	1.2
109.02859	0.8
117.03388	6.7
127.03895	1.8
128.98506	0.5
135.04414	13.2
137.05893	0.4
145.02849	8.9
145.04959	1.4
163.03911	100.0
179.03340	1.3
181.04930	0.6
193.05003	1.2
219.01790	0.8
233.23003	0.5
237.00780	0.6
237.02829	0.9
279.06497	0.6
316.64343	0.5
333.44092	0.5
482.50562	0.5
517.20068	1.5
540.35217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
53.77905	2.1
55.01863	9.7
55.05515	62.3
57.03436	6.1
59.05003	4.6
67.05510	100.0
68.38582	2.3
69.03426	4.3
69.07067	13.6
69.57607	13.1
71.04981	5.1
73.02917	6.7
79.05504	26.3
81.03423	25.6
81.07057	38.4
83.01326	5.6
83.04986	15.3
83.08632	29.0
85.02492	2.3
85.02916	23.8
85.06547	4.8
87.04468	11.3
91.05489	20.5
93.07060	27.8
95.04983	11.9
95.08622	16.6
97.02892	7.1
97.06521	6.1
97.10172	46.6
99.04456	2.5
105.07051	7.3
107.04961	9.7
107.08594	22.9
109.06518	4.8
109.10165	86.8
111.04441	6.5
111.08067	5.9
117.07024	5.8
119.08578	15.4
121.10133	9.6
123.04428	2.6
123.08080	8.0
125.05964	2.2
125.09630	55.3
128.26558	2.2
129.07047	2.9
131.08588	8.7
131.84074	2.3
133.10144	4.4
135.08046	3.4
135.11717	12.7
137.09634	7.9
143.10695	6.3
145.10110	15.9
147.07996	5.2
149.09619	2.3
153.12769	10.0
155.08633	2.7
155.10695	16.3
157.12241	4.7
163.11189	37.6
173.09659	12.8
173.11758	72.3
181.12202	9.9
184.07458	2.5
187.13329	2.7
191.10692	18.1
209.11746	48.0
223.13280	7.8
227.12762	21.6
241.14346	2.6
373.72235	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	516.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09070	0.2
56.05022	0.4
58.06611	0.4
60.08167	6.2
67.05499	0.6
69.79201	0.7
69.79613	0.7
71.07380	2.9
74.90676	0.3
79.05477	0.8
81.07052	0.4
82.16920	0.2
83.80731	0.2
86.09713	28.1
91.05489	0.6
93.07037	0.7
95.04926	0.3
95.08583	0.5
98.98467	3.2
104.10747	2.8
105.07022	0.5
107.08601	0.2
119.08503	0.3
125.00013	19.5
129.06850	0.2
161.65918	0.3
184.07353	100.0
293.25342	0.2
320.13828	0.3
356.19061	0.3
440.50339	0.3
498.29962	0.9
505.11630	0.3
516.31018	3.1
520.21613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01872	11.9
55.05515	63.4
56.23461	1.7
57.03436	7.5
57.07070	1.8
59.04996	5.5
65.03947	2.7
67.05509	100.0
69.03419	5.7
69.07066	10.6
70.71311	4.3
70.71656	2.0
71.01345	2.5
71.04983	5.5
73.02914	4.4
79.05495	24.1
81.03415	15.7
81.07058	29.8
83.04989	10.2
83.08622	27.9
85.02912	20.2
85.06535	4.8
87.04456	10.6
91.05500	15.9
93.07049	15.2
95.04977	7.5
95.08625	13.0
97.02892	5.2
97.06512	4.6
97.10171	43.3
105.07025	6.6
107.04971	7.7
107.08608	17.6
109.06508	4.2
109.10168	70.0
111.04430	3.0
111.08091	3.6
117.07044	3.9
119.08598	12.4
121.10144	6.0
123.08050	7.3
125.05941	2.1
125.08777	3.4
125.09638	50.4
129.06941	2.0
131.08554	6.8
133.10120	4.2
135.08044	2.9
135.11696	10.2
137.09592	6.4
143.10692	8.1
145.10097	15.3
147.08037	3.8
153.12767	6.9
155.08606	3.7
155.10628	17.1
157.12296	3.5
163.11195	24.8
173.09650	10.1
173.11743	55.4
181.12311	8.7
187.13356	3.6
191.10681	14.9
199.13350	3.2
203.12886	1.9
209.11739	27.6
223.13313	3.8
227.12766	17.7
241.14294	2.3
412.66266	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.9
55.01824	0.6
55.05447	11.4
55.05741	1.1
59.04960	1.2
64.44915	0.5
65.03882	1.0
67.05437	2.6
69.03361	1.8
69.07027	1.0
69.87948	2.9
70.06522	1.8
71.04946	0.9
71.07320	0.6
71.08555	4.8
72.08083	2.7
79.05456	1.1
79.43639	0.6
81.05755	0.7
81.06980	2.6
83.04984	17.6
83.07302	0.7
84.08079	0.6
85.02840	1.3
86.06070	32.5
86.06544	1.8
91.05451	1.4
93.03331	2.1
93.06978	1.8
93.07550	0.6
95.04971	4.8
95.08523	2.3
96.08122	6.2
97.02836	0.7
98.06022	0.8
98.09698	17.3
98.10281	0.8
98.97551	0.6
99.04411	0.7
99.08038	2.4
100.07526	0.7
101.06018	16.4
105.01828	0.8
105.06925	0.9
107.08525	1.6
108.08085	0.9
110.09658	0.6
111.04447	30.7
113.05931	0.8
114.09096	1.1
116.10737	43.0
119.08598	3.8
120.07925	0.7
121.02858	1.1
121.10065	1.2
124.07568	1.0
127.03844	0.9
129.05492	9.0
133.10149	0.7
134.09604	0.9
135.10313	0.7
139.03793	1.0
142.08643	11.2
142.12233	3.7
143.10669	9.8
145.10141	1.2
147.06445	2.0
148.11192	1.0
154.08606	1.0
155.07033	4.3
157.04903	0.7
159.07970	1.0
162.12740	1.6
164.10715	6.9
173.08057	1.4
173.13142	0.8
175.32571	0.6
180.13811	0.7
182.15395	5.5
190.12260	6.1
196.16846	0.7
198.14857	1.8
208.13318	8.4
214.15994	0.7
214.18002	10.9
215.14224	0.7
226.14398	32.6
233.15321	1.9
244.15439	4.2
250.18530	0.6
285.09714	4.5
324.21713	3.9
372.20203	1.8
382.18723	2.3
400.19650	11.5
418.20715	100.0
419.21008	0.9
480.26071	0.8
498.26926	7.9
498.33572	0.7
516.28076	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70883	0.4
53.03934	0.9
54.56892	0.3
55.01871	0.5
55.05514	4.5
57.03426	0.4
57.07044	0.5
57.45269	0.4
58.14451	0.4
60.00246	0.3
60.47022	0.3
62.06074	0.5
65.03925	0.6
66.84591	0.4
67.05495	1.3
69.03422	1.2
69.07066	0.8
70.06597	0.8
70.77185	0.9
71.04997	0.5
71.08640	4.6
72.08154	1.2
79.05480	1.1
81.03406	1.3
81.07050	1.7
81.91065	0.3
83.04987	5.9
84.04485	0.5
84.08140	1.3
85.02915	3.0
86.06074	4.1
86.09703	0.6
87.00823	0.8
87.04480	0.4
91.05497	0.7
93.03409	0.5
93.07045	0.9
94.06497	0.4
94.72720	0.4
95.04961	1.6
95.07317	0.4
95.08608	1.5
95.15967	0.3
96.08144	2.5
97.02901	1.1
97.06520	1.3
98.06071	0.7
98.09698	3.5
98.97575	0.5
99.04436	0.9
99.08108	2.1
100.11210	0.5
101.06021	5.6
105.01850	0.8
105.07017	0.8
107.08591	1.0
108.08110	0.9
109.02880	1.3
109.10162	0.8
111.04446	7.8
112.07584	0.4
114.09184	0.5
116.09911	0.9
116.10735	14.3
119.08564	0.8
121.02853	0.7
121.10114	0.7
122.09710	0.8
123.07983	0.4
124.07593	0.6
127.03922	1.7
129.05507	3.5
131.08536	0.7
133.10127	1.1
135.08022	0.4
137.09558	0.4
139.03911	1.1
140.10695	0.7
142.08621	0.5
143.10670	2.0
145.04921	0.8
145.10098	1.0
147.06554	1.9
147.11682	0.5
149.28418	0.4
152.54825	0.4
154.08623	0.9
154.15900	2.4
155.07036	1.2
159.02896	0.8
159.08083	0.9
163.03940	0.4
164.14445	0.6
166.15913	2.4
168.35147	0.4
173.08136	0.9
173.13429	0.9
178.15921	1.7
182.15387	0.6
187.14841	1.0
190.12157	0.4
196.16989	7.0
198.18512	0.5
214.18033	100.0
215.06955	0.5
215.14369	0.4
215.18454	0.6
220.08609	0.4
226.14374	2.8
233.15355	1.6
236.85837	0.4
259.09784	0.5
271.60492	0.5
273.14185	0.4
285.09552	1.1
303.10770	1.0
309.59705	0.4
324.21671	2.6
343.90710	0.4
355.23471	0.4
418.20596	3.3
498.27258	1.8
516.28333	10.2
516.36072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.9
57.07073	0.2
59.04972	0.4
62.06070	0.4
65.03919	0.2
67.05508	0.9
69.03439	0.4
69.07051	0.4
69.43062	1.4
70.06591	0.5
71.07365	0.2
71.08640	4.7
72.08170	1.0
79.05466	0.3
81.07050	1.4
82.06551	0.3
83.04512	0.3
83.04990	4.2
83.08588	0.3
84.04500	0.3
84.08157	0.9
84.08549	0.2
86.06073	3.2
91.05482	0.2
93.03394	0.4
93.07008	0.4
94.00650	0.2
95.04948	0.7
95.08618	1.0
96.08130	2.0
97.06515	0.3
98.06038	0.7
98.09698	4.3
98.64705	0.2
99.08111	2.1
100.07645	0.2
101.05402	0.3
101.06028	4.2
105.06983	0.2
105.78682	0.2
107.08575	0.4
108.08126	1.0
109.10132	0.3
110.09655	0.3
111.03725	0.3
111.04450	5.9
112.07597	0.4
113.06012	0.2
113.08383	0.3
114.09132	0.6
116.10736	12.5
121.02859	0.3
121.08910	0.2
122.09686	1.0
124.07562	0.7
126.09142	0.6
127.07578	0.3
129.05493	2.2
136.11179	0.4
139.03862	0.5
140.10683	0.4
142.08665	0.5
142.12218	0.3
143.10687	1.5
147.06497	0.7
150.12770	0.4
154.08627	0.7
154.12260	0.3
154.15912	2.7
155.07062	1.6
164.10686	0.4
164.14336	0.3
165.96077	0.2
166.14745	0.2
166.15950	2.2
168.17441	0.7
173.08115	0.4
178.15923	1.4
182.15448	0.5
184.09581	0.2
190.12241	0.3
196.16985	7.4
208.13351	0.6
214.18030	100.0
215.18404	0.6
218.33812	0.2
226.14421	4.9
233.15483	0.3
285.09610	0.8
303.10654	0.9
324.21671	3.2
346.14935	0.3
400.19522	0.2
417.08475	0.2
418.20767	2.0
471.38150	0.2
498.26932	0.9
516.28088	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	516.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41008	0.2
55.05514	3.9
56.04992	0.2
57.07049	0.2
59.04977	0.5
62.06077	0.4
65.03918	0.3
67.05483	0.7
69.03412	0.4
69.07053	0.4
70.06572	0.3
70.44075	0.3
70.44466	0.2
71.07376	0.2
71.08633	4.3
72.08140	1.0
79.05479	0.3
81.07042	0.9
83.04990	3.5
83.08588	0.2
84.04491	0.2
84.08144	1.0
85.02887	0.4
86.05602	0.2
86.06076	2.6
93.03359	0.2
93.07014	0.2
94.06551	0.2
95.04955	0.9
95.08624	1.2
96.08129	2.2
97.06522	0.6
98.06046	0.6
98.09114	0.2
98.09695	2.3
99.08100	2.0
101.05394	0.2
101.06025	3.7
105.07007	0.2
106.09141	0.2
107.08553	0.3
108.08134	1.0
110.09685	0.3
111.04449	6.4
112.07558	0.2
113.06001	0.3
113.08381	0.4
114.09151	0.4
116.10737	12.3
119.08576	0.2
121.02832	0.2
122.09678	1.3
124.07570	0.5
125.08318	0.2
126.09120	0.4
127.07555	0.2
129.05482	2.5
135.10426	0.2
136.11191	0.6
138.09117	0.2
139.03883	0.3
140.10716	0.5
142.08641	0.3
143.10680	1.4
147.06523	0.8
150.12766	0.3
152.14400	0.2
154.08626	0.5
154.12311	0.2
154.15892	2.5
155.07033	1.5
164.14372	0.3
166.15919	2.3
168.17473	0.6
168.67729	0.2
170.15453	0.2
173.08122	0.5
178.15936	0.8
182.15509	0.2
190.12360	0.2
196.16977	7.1
208.13316	0.2
214.18027	100.0
215.07144	0.2
215.14226	0.2
215.18434	0.6
226.14386	3.1
233.15450	0.2
244.15558	0.2
259.09702	0.2
285.09769	0.6
285.82507	0.2
298.18729	0.2
303.10745	0.9
324.21683	2.0
324.25043	0.2
346.15173	0.2
398.49521	0.2
400.19897	0.2
418.20718	1.9
419.81989	0.2
498.26682	0.8
503.09763	0.2
516.28064	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	516.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	9.7
55.05749	1.0
56.04986	1.1
57.03402	0.5
59.04947	1.4
65.03888	0.6
67.05438	3.3
69.03370	1.6
69.07019	0.9
69.36200	3.8
70.06538	1.0
71.04942	0.5
71.07339	0.9
71.08559	3.9
72.08085	2.1
77.85436	0.5
79.05410	1.4
81.07053	2.2
83.04984	14.3
83.07330	0.9
85.02834	1.3
85.06495	0.6
86.06069	36.0
86.06549	1.5
89.02362	0.4
91.05399	1.6
93.03351	1.3
93.06984	1.3
95.04983	2.7
95.08542	1.1
96.08127	6.6
97.02843	0.9
97.06496	0.8
98.09695	17.7
98.21517	0.9
99.08102	2.3
100.07565	0.7
101.06014	12.7
105.06989	0.9
107.08528	1.2
108.08027	1.3
110.09628	0.5
110.68391	0.4
111.04445	25.2
114.09064	1.2
116.10735	42.3
119.08578	2.8
121.08803	0.9
122.09614	0.7
123.11673	0.6
124.07501	2.0
127.07466	0.7
129.05479	8.7
134.09578	1.4
135.10388	0.8
137.09532	0.8
139.03894	2.2
142.08643	14.6
142.12263	2.5
143.10683	9.1
145.08817	0.5
145.10016	0.8
146.09572	0.9
147.06439	1.8
148.11148	1.0
152.10507	0.4
154.08556	1.0
155.07051	5.1
157.04813	0.5
162.12737	1.4
164.10710	7.2
164.54024	0.4
173.08018	0.9
180.13829	2.1
182.15414	7.7
187.14758	0.6
190.10658	0.5
190.12256	7.9
194.11826	0.6
196.16942	0.7
198.14828	1.9
208.13344	10.3
214.18008	9.0
221.07899	0.5
226.14380	39.9
244.15387	2.0
255.12201	0.5
259.09604	0.5
273.13354	1.0
285.09671	2.4
324.21692	3.8
382.18457	1.4
400.19733	4.6
418.20718	100.0
419.20929	1.3
480.25784	0.8
498.27014	6.3
516.28082	42.9
517.26349	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.2
55.01843	0.3
55.05514	4.4
56.05011	0.3
57.07059	0.4
59.04972	0.7
62.06050	0.8
65.03925	0.3
67.05503	1.2
69.03394	0.5
69.07030	0.7
69.20052	2.3
70.06576	0.5
71.04995	0.2
71.08630	4.5
72.08148	1.2
79.05477	0.6
81.03392	0.3
81.07059	1.3
82.06556	0.4
83.04983	5.6
83.08568	0.4
84.04466	0.3
84.08149	1.3
85.02872	0.8
85.06555	1.5
86.05595	0.3
86.06070	3.6
86.06848	0.4
87.00790	0.3
91.05423	0.4
93.03373	0.3
93.07002	0.7
94.06484	0.3
95.01283	0.3
95.04971	1.3
95.08595	1.2
96.08134	1.9
97.02857	0.3
97.06487	0.5
98.06036	0.8
98.09124	0.3
98.09698	4.1
98.97527	0.3
99.08089	2.1
100.07641	0.3
101.05407	0.4
101.06022	5.3
105.07043	0.3
107.08554	0.6
108.08137	1.2
109.06446	0.2
109.10098	0.5
110.09693	0.4
111.04446	7.5
113.05974	0.3
113.08375	0.3
114.09183	0.2
116.10736	13.2
119.08541	0.5
121.02831	0.3
121.08846	0.3
122.09693	1.2
122.47305	0.2
124.07578	0.4
126.09155	0.5
127.03851	0.5
127.07532	0.3
129.05479	3.1
131.08545	0.4
135.10423	0.2
136.11205	0.4
139.03870	0.8
140.10678	0.6
142.08615	0.7
142.12277	0.6
143.10669	1.6
147.06538	1.0
151.07526	0.8
152.07857	0.6
154.08624	0.7
154.12268	0.3
154.15895	3.0
155.07027	2.2
163.03882	0.3
164.10837	0.2
164.14313	0.5
166.15926	2.3
168.17476	0.8
173.08134	0.5
177.43208	0.2
178.15927	1.7
182.15465	0.3
190.12306	0.4
196.16978	7.5
196.18797	0.4
208.13341	0.6
214.18027	100.0
226.14374	5.3
233.15384	0.7
244.15463	0.3
259.09668	0.3
285.09698	1.6
303.10712	1.0
321.51468	0.3
324.21667	2.9
329.12308	0.2
346.15082	0.3
400.19699	0.8
418.20715	2.3
498.27066	3.0
516.28143	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	516.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01878	7.4
55.05515	50.2
56.96571	1.8
57.03445	11.8
59.05002	6.2
61.02922	4.0
63.86490	1.5
67.05510	81.2
68.82779	1.4
69.03448	8.5
69.07067	10.7
69.17556	1.4
69.58440	10.8
70.06594	5.9
71.01363	2.5
71.04997	6.2
72.08150	9.0
73.02924	3.7
79.05489	21.1
81.03407	7.3
81.07064	28.9
83.04992	10.1
83.08620	17.4
84.08157	4.9
85.02908	30.5
85.06540	4.1
86.09715	14.4
87.04477	12.6
88.07648	2.5
91.03940	2.8
91.05511	8.3
93.07034	9.9
95.04974	4.3
95.08617	16.0
97.02898	9.3
97.06540	3.4
97.10178	35.0
98.20724	1.8
98.97599	7.5
99.04480	2.8
103.03977	5.0
105.07047	4.2
107.04976	3.4
107.08591	12.4
109.06521	4.8
109.10162	83.3
111.04449	3.8
111.08109	6.0
115.03910	1.9
116.07194	1.7
116.50829	1.7
117.07075	2.2
119.08597	7.3
120.08092	2.0
121.06517	2.2
121.10156	6.8
123.08064	3.0
125.09641	42.5
127.03924	3.4
129.10246	3.1
131.08589	2.9
135.11697	3.7
137.09587	3.9
143.00186	1.6
143.10686	9.7
145.05008	1.7
145.10187	4.3
147.06551	1.5
147.08076	2.0
149.09613	2.1
153.12778	2.8
154.08641	6.0
155.08897	1.8
155.10704	15.4
163.11186	7.9
171.11272	1.7
173.09653	2.3
173.11752	49.8
173.13071	2.2
180.41435	1.9
181.12303	3.1
184.07333	4.0
191.10706	3.9
193.03300	1.5
193.12280	2.4
199.13359	7.0
209.09952	1.9
209.11739	8.4
209.15491	3.4
212.16434	3.7
213.04178	2.0
213.16698	2.3
214.17108	1.9
217.14348	6.3
219.01730	2.6
227.12891	8.9
229.14362	100.0
283.15430	8.6
301.16449	18.8
310.04129	1.6
319.17523	33.1
357.08585	3.6
463.21835	7.4
516.20752	3.5
516.27777	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	516.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01868	3.5
55.05512	27.7
57.03434	8.6
59.04996	3.1
61.02919	3.5
65.03939	1.6
67.05507	59.6
69.03416	4.0
69.07059	6.0
70.06609	4.7
71.01362	1.6
71.05003	2.7
71.54223	2.0
72.08153	9.7
73.02921	1.0
79.05490	11.9
81.03426	4.8
81.07051	17.4
83.04986	5.6
83.05394	1.0
83.08623	11.6
84.04501	1.1
84.08144	1.9
85.02912	13.5
85.06554	3.2
86.09704	16.3
87.04482	5.9
91.03956	2.3
91.05484	4.7
93.07024	7.2
94.21159	0.9
95.04969	3.1
95.08617	6.8
97.02889	5.9
97.06537	2.8
97.10165	15.7
98.97592	2.5
103.03940	4.0
105.01852	1.2
105.07048	3.9
105.53877	1.1
107.04957	2.7
107.08600	9.5
109.02846	1.5
109.10160	61.5
110.07211	1.2
111.04453	3.1
111.08090	3.1
116.07066	1.1
117.07008	1.9
119.08591	7.2
121.10155	4.4
125.09634	21.1
127.03912	2.0
131.08577	1.9
133.10144	1.8
135.08099	1.0
135.11696	3.4
137.09631	2.5
143.10687	5.1
145.10153	3.3
147.08058	1.2
153.12772	1.9
155.10686	12.6
163.11174	5.7
173.11740	40.3
181.12173	1.9
184.07362	4.1
185.16487	2.0
191.10629	2.1
193.12192	1.4
199.13365	3.0
201.12422	1.1
204.56949	1.0
209.11734	10.6
213.16080	2.6
217.14325	3.8
217.68225	1.0
224.07744	1.6
227.12811	5.5
229.14355	100.0
241.14433	1.0
283.15381	11.5
296.06369	2.3
301.16431	7.8
304.15076	2.4
307.12354	1.1
319.17493	9.1
326.24670	1.3
377.01941	1.8
391.08102	1.8
463.21829	6.7
472.22659	1.5
498.19379	1.1
516.20850	11.3
516.29559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04998	0.4
56.81273	0.2
57.03401	0.3
58.06573	0.8
58.14081	0.2
59.07360	0.4
60.08165	5.5
63.20329	0.2
66.42522	0.2
67.05514	1.2
70.06556	0.6
70.81991	0.3
70.82322	0.6
71.04953	0.3
71.07377	2.3
72.08112	0.4
79.05469	0.4
79.65363	0.3
81.03365	0.3
81.07013	0.6
81.76023	0.2
86.06033	0.3
86.09708	27.8
86.10488	0.7
91.05441	0.4
94.78242	0.2
95.08567	0.3
98.98457	2.1
104.10748	6.7
105.07001	0.4
107.08592	0.3
109.10092	1.0
115.27509	0.2
121.06449	0.3
125.00010	18.4
133.10115	0.9
137.09596	0.7
163.03835	0.6
173.09511	0.4
173.11697	0.3
184.07344	100.0
191.14464	0.3
229.14372	0.4
233.15308	0.3
258.11139	0.4
273.63754	0.3
279.61560	0.3
394.20200	0.9
412.20975	8.5
430.21640	0.4
454.21622	0.7
472.22397	0.5
498.25580	0.6
516.26147	13.2
517.23138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04995	0.6
57.91273	0.2
58.06588	0.6
60.08167	5.2
60.08457	0.2
66.83442	0.2
67.05505	1.3
70.06567	0.6
71.04964	0.3
71.07377	2.7
74.74251	0.2
77.21647	0.2
79.05497	0.3
81.03404	0.3
81.07040	0.5
84.12958	0.2
85.02903	0.4
86.09709	26.8
98.98459	2.3
104.10751	4.6
107.08569	0.2
109.10185	1.2
111.08041	0.3
125.00009	18.3
133.10143	0.5
134.69980	0.3
137.09599	0.3
161.28052	0.3
163.03899	0.4
168.28873	0.3
184.07346	100.0
191.14235	0.3
229.14301	0.6
233.15486	0.3
258.11127	0.4
335.13284	0.3
386.02530	0.3
394.19958	0.7
412.20935	9.2
414.70358	0.3
430.21094	0.3
472.22375	0.4
498.24731	0.7
516.25983	12.1
517.22192	0.3
517.54156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04126	0.2
55.05497	0.5
56.05038	0.4
57.03438	0.2
58.06606	0.4
59.07384	0.4
60.08165	5.6
64.02106	0.2
67.05515	1.0
69.40584	0.9
69.40985	0.4
70.06596	0.5
71.04978	0.2
71.07372	2.2
71.57068	0.2
79.05486	0.3
81.07081	0.4
83.08627	0.3
83.94839	0.2
85.02893	0.3
86.09709	27.6
88.07613	0.2
93.07071	0.3
98.98469	2.4
100.74055	0.2
101.29778	0.2
104.10748	2.7
109.10146	1.2
112.60053	0.2
125.00008	17.1
140.47203	0.2
141.59837	0.2
157.13353	0.2
157.15852	0.2
163.03831	0.2
163.88463	0.2
166.06181	0.2
184.07344	100.0
185.07607	0.2
221.01730	0.2
229.14420	0.4
267.66394	0.2
294.70264	0.2
315.13580	0.2
315.48462	0.2
380.70044	0.2
394.19879	0.6
399.72684	0.2
412.20966	8.1
423.78802	0.2
498.24603	0.6
516.25781	12.2
517.22455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
54.56237	3.4
55.05513	29.7
57.03437	7.4
57.07069	7.1
67.05506	83.8
69.03428	9.5
69.07074	23.4
69.18771	34.8
71.04955	3.9
79.05497	56.9
79.41983	3.0
81.03431	4.3
81.07055	100.0
83.04962	4.0
83.08621	12.4
85.02924	7.7
85.06557	5.5
91.05481	44.3
93.07042	69.9
95.04989	9.4
95.08608	70.7
97.02900	6.1
97.06530	9.0
97.10169	10.8
98.20724	7.7
105.07036	43.2
107.04978	6.8
107.08592	45.0
109.06500	5.9
109.10149	38.3
117.07008	20.9
119.08571	32.2
121.10137	40.1
123.04356	3.3
123.08067	4.5
123.11693	20.2
129.07025	8.6
130.07748	4.3
131.08574	33.7
133.10152	26.6
135.08066	6.0
135.11681	28.3
142.07814	4.9
143.08588	11.9
145.10136	26.6
147.11693	32.1
149.09648	6.1
149.13232	22.0
155.08546	7.1
157.10110	9.7
159.11707	18.4
161.09697	5.6
161.13286	16.6
163.11192	4.6
163.14803	14.5
165.12756	11.7
169.10153	6.4
171.11700	13.5
173.13271	18.4
175.14832	4.8
177.16275	8.9
183.11844	4.5
185.13132	5.6
187.14850	9.8
195.11809	4.3
197.13399	4.3
200.63478	3.4
201.16393	4.5
243.21085	25.5
261.22137	77.9
261.24902	5.9
277.21857	5.5
283.93280	3.8
301.21957	5.6
303.23386	3.9
306.27832	6.7
335.25851	10.5
347.28552	3.4
353.26733	19.0
405.26025	4.1
433.30936	8.3
479.29926	5.6
483.34772	11.6
497.36609	5.1
515.37195	32.0
516.24341	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.2
54.57316	4.4
55.05512	23.5
56.96562	6.0
57.03435	12.2
57.07079	8.7
57.28843	4.2
64.77080	4.7
67.05510	89.6
69.03426	19.7
69.07064	26.4
70.09951	16.7
71.01347	6.6
72.51709	5.5
79.05495	65.7
81.03423	14.7
81.07053	100.0
83.08629	15.5
85.02905	16.2
85.06507	5.4
85.35162	4.7
91.05485	46.6
93.07050	68.9
95.01350	6.1
95.04964	18.0
95.05548	5.4
95.08610	71.1
97.02908	7.9
97.06569	6.8
97.10156	6.7
98.20808	7.7
99.04387	4.6
99.08102	5.8
105.07043	38.8
107.08603	40.0
109.06512	10.5
109.10152	33.4
117.07050	11.6
119.08578	29.6
121.06521	5.3
121.10159	41.0
123.08084	6.9
123.11675	16.3
127.03937	5.5
129.07024	9.7
131.08583	31.9
133.10132	30.3
135.11693	22.6
136.93094	7.8
137.13231	9.2
139.11229	6.1
143.08569	15.8
145.10141	24.2
147.08072	6.0
147.11678	17.8
149.09602	6.8
149.13283	19.7
154.94186	13.5
157.10139	9.9
159.11697	23.5
161.13286	14.6
163.14828	14.4
171.11755	15.1
172.95280	11.8
173.13292	17.6
175.14787	9.4
177.12762	5.9
185.13216	6.3
187.14845	11.1
190.96158	6.3
192.79126	4.9
199.14748	7.8
207.88411	5.3
243.21135	19.6
261.22150	66.6
303.23184	5.6
325.23605	8.8
327.23224	6.3
335.25644	7.2
345.24280	11.5
349.22372	5.8
351.23093	6.7
353.26849	20.2
358.16373	10.0
358.66595	13.1
359.66559	5.4
361.21933	7.1
369.24014	12.6
387.25076	6.2
405.26471	7.4
419.27783	8.7
459.20084	16.6
461.28647	9.3
479.30087	9.8
497.31100	19.6
515.22467	28.4
515.36957	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01855	2.0
55.05518	17.0
57.03425	7.5
57.07068	4.8
58.25061	1.7
61.02916	3.4
65.03930	4.1
67.05505	93.0
69.03405	4.8
69.07074	19.7
69.69199	7.9
71.04996	3.6
73.02915	2.7
73.16598	1.4
77.03932	2.1
79.05497	50.1
81.03419	4.1
81.07057	100.0
81.39095	1.9
83.04971	4.4
83.08609	8.4
83.67273	1.6
85.02900	4.8
85.06538	1.9
91.03979	1.9
91.05482	30.1
93.07048	67.1
95.04966	5.4
95.08610	75.4
97.02879	3.4
97.06532	3.9
97.10163	4.9
98.21400	3.2
99.08078	5.2
103.03995	1.7
105.04539	2.3
105.07030	24.0
107.08595	45.4
109.06547	4.2
109.10160	35.0
111.08073	2.9
117.07018	11.7
119.08579	19.9
121.10149	39.0
123.08050	4.9
123.11703	21.6
123.53932	1.7
125.09724	1.9
129.06978	2.1
131.08578	25.7
133.10118	20.5
135.08031	2.1
135.11690	27.1
137.09641	2.2
137.13248	6.5
139.11136	3.3
145.10114	20.1
147.11685	17.1
149.09598	2.2
149.13261	21.3
151.11121	2.0
151.14757	3.1
153.12775	2.1
157.10098	1.9
159.11707	17.6
161.13255	11.2
163.14824	16.9
165.12749	3.2
171.11662	2.3
173.13252	21.0
175.14809	5.7
177.12729	2.3
177.16350	7.0
179.14305	3.9
187.14742	10.7
189.16315	2.1
191.14267	2.5
201.16379	4.4
205.15828	2.3
215.17841	2.2
219.17377	2.9
224.50827	1.6
233.22572	2.6
243.21101	28.4
261.22150	85.4
277.21463	2.1
279.23083	4.8
303.23154	3.2
317.24744	2.6
335.25806	28.4
345.24158	3.3
353.26889	24.4
369.24356	4.0
387.25290	2.3
419.27911	4.7
443.27823	2.7
461.29102	3.1
479.29828	3.7
497.31000	11.3
528.58966	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01874	1.6
55.05499	3.8
57.03435	2.9
61.02930	2.1
67.05515	6.1
69.07057	1.7
69.30949	10.6
69.31278	2.5
79.05489	5.1
81.03422	70.3
81.07063	6.0
83.04968	3.4
83.08621	19.8
91.05488	10.2
92.23347	1.1
93.07037	3.8
93.97433	1.2
95.04974	22.7
95.08617	3.3
97.02878	2.9
97.10175	2.4
105.07034	6.8
107.04950	4.5
107.08587	3.0
108.62934	1.1
109.06514	2.5
111.04426	2.0
111.08089	9.3
115.05471	1.2
119.04904	1.3
119.08593	7.0
119.36155	1.2
121.06572	2.3
121.10150	5.4
123.04462	1.2
129.07028	6.0
131.08559	6.1
133.06483	2.6
133.10123	5.4
137.09656	1.4
147.08040	2.3
147.11684	5.8
149.09602	4.6
155.57300	1.2
157.10127	9.1
175.11195	13.9
193.12253	61.2
205.96732	1.2
211.13351	6.9
235.13374	3.4
259.85434	1.2
267.12997	2.1
267.15924	43.0
285.16983	100.0
309.16953	12.2
314.42331	1.6
323.12402	2.3
351.18234	1.8
363.18054	3.8
375.18134	1.8
393.19104	2.5
411.19763	2.4
429.21286	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88550	3.9
53.03935	4.0
55.05510	16.6
57.03424	10.1
61.02908	4.6
65.03942	4.2
67.05180	5.8
67.05505	70.3
69.03411	11.1
69.07047	13.2
69.95976	8.8
69.96373	6.2
71.04967	4.8
79.05490	50.2
81.03413	6.7
81.07053	100.0
83.04950	4.0
83.08606	10.9
83.56101	3.3
85.02877	8.7
85.06548	5.4
91.05487	24.1
93.07042	62.4
95.04984	9.6
95.08602	72.2
97.02881	8.2
97.06525	5.8
99.08090	5.2
105.07037	34.6
107.04942	3.9
107.08585	30.7
109.06519	11.0
109.10148	26.1
117.07002	13.5
119.08570	23.6
121.10155	27.1
123.11705	12.4
129.06981	6.1
131.08591	21.4
133.10120	19.9
135.07961	6.1
135.11697	19.2
137.13257	5.4
143.08548	5.7
145.10132	17.9
147.11641	14.5
149.09613	4.4
149.13260	16.3
150.57040	3.6
151.11185	6.5
154.64584	3.9
157.10117	4.9
159.11690	15.0
161.09605	4.5
161.13281	7.1
163.11241	4.0
163.14806	10.1
173.13264	17.6
175.14760	4.0
177.12772	3.9
185.13240	4.0
187.14787	7.9
243.21077	13.1
261.22116	55.4
285.22253	3.9
302.12109	3.6
303.23126	9.3
329.24875	4.4
335.25665	19.1
345.24347	6.5
353.26794	22.8
387.25339	4.1
419.27655	9.8
443.27701	5.5
461.28922	8.0
497.30988	10.2
515.26422	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	514.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18033	1.0
56.96568	11.4
67.05506	3.2
71.53341	1.1
71.95252	2.0
79.05513	1.0
79.66460	1.0
81.07047	3.3
93.07061	1.9
95.08627	1.9
98.97609	1.2
102.92625	3.0
110.97582	1.8
113.52929	1.0
118.92076	4.6
128.98596	2.1
136.93115	37.2
136.94034	1.8
151.04187	1.1
154.94173	66.7
156.03616	1.1
172.95241	58.7
177.95810	5.0
179.98410	17.4
190.96260	13.0
192.95792	3.9
195.96872	4.4
197.98399	12.2
209.65674	1.0
210.96750	21.8
212.98312	1.5
213.97847	1.5
215.99507	4.7
220.99817	1.2
227.09555	1.1
228.97845	21.8
233.98427	4.0
246.98964	2.6
251.99460	1.9
267.39777	1.0
273.70160	1.0
315.16690	1.8
317.17847	40.7
330.20721	1.2
333.17334	2.5
335.18942	11.4
335.25592	1.3
338.09286	2.1
348.22192	4.6
357.23041	1.4
358.16373	4.5
358.20712	3.3
358.66467	1.5
360.22131	4.6
397.14551	2.5
440.19009	2.0
453.17145	71.2
458.19705	9.9
471.18280	100.0
472.19388	1.5
494.19781	19.2
495.20181	1.5
514.22772	45.7
529.64056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08989	0.7
53.23715	0.7
55.05512	1.7
56.96566	9.0
67.05508	3.9
69.07061	1.4
71.54536	0.8
71.95302	0.9
75.62567	0.7
79.05489	1.6
81.07062	3.7
84.08152	19.4
85.08482	2.9
91.05482	1.3
93.07030	1.7
95.08621	2.4
98.06080	1.1
99.70992	0.7
105.06994	0.9
116.02593	0.8
118.92059	4.1
130.01790	1.5
136.93130	22.4
141.02263	0.8
142.01782	1.4
145.10246	0.8
147.07684	1.3
148.02792	0.9
154.94180	39.0
156.49162	0.7
159.03288	1.1
160.02794	0.8
172.95255	43.4
173.04898	0.9
177.95827	4.1
184.06529	0.8
190.96288	12.8
195.96892	5.0
197.98547	1.1
210.97765	8.5
213.97954	1.4
215.99516	1.5
228.97868	1.8
238.11317	1.4
240.06810	0.7
240.12888	1.1
241.11102	0.9
252.12764	2.2
254.14392	1.4
266.14310	1.5
278.14465	1.0
280.15909	1.6
290.14270	0.9
292.16040	1.7
294.17511	1.0
304.26324	4.3
317.17911	3.4
323.31369	1.3
328.19562	1.0
330.20895	5.5
335.19281	1.0
338.59097	0.8
340.19559	0.9
342.20993	1.2
346.20578	3.3
348.22110	22.6
360.22125	22.3
371.23785	1.3
378.15070	1.1
396.16187	4.7
422.17657	3.9
440.18869	7.5
453.17056	2.2
458.19824	39.9
471.18274	3.1
494.20016	0.9
496.21716	1.2
513.40112	2.0
514.22485	100.0
515.22882	2.1
525.38727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01863	7.1
55.05511	24.6
57.03436	39.4
61.02926	22.4
65.03943	6.8
67.05186	4.6
67.05510	64.5
68.51154	2.8
69.03439	26.3
69.07072	21.9
69.70477	9.9
69.70890	9.7
71.01341	3.0
71.04999	20.3
73.02892	12.1
75.04461	3.5
79.05495	72.9
81.03416	26.6
81.06591	5.5
81.07060	80.7
83.04968	8.6
83.08616	19.1
85.02904	33.2
85.06536	7.0
89.06014	2.9
91.03960	16.8
91.05480	62.6
91.29221	2.7
93.06494	5.0
93.07047	78.3
95.04953	6.6
95.08614	69.3
97.02890	37.4
97.06549	9.7
97.10159	8.3
98.21504	3.3
99.04453	8.6
99.08110	6.1
101.02361	8.6
103.03957	7.8
105.07035	53.6
107.08598	61.0
109.02871	10.2
109.06499	10.3
109.10158	31.7
111.04459	3.3
111.08078	5.4
115.05525	3.1
117.07001	21.4
119.08580	47.2
121.10139	38.1
123.08120	7.2
123.11695	7.3
125.09610	7.0
127.03927	15.8
129.05476	7.2
129.06973	11.6
131.08549	27.8
133.10143	45.7
135.11697	32.8
137.09610	5.6
143.08594	9.3
145.04979	6.1
145.10109	23.8
147.08208	3.2
147.11707	33.0
149.09622	4.4
149.13222	19.7
153.01825	6.2
155.08546	4.6
157.10129	10.5
159.11732	20.2
161.13266	20.5
163.14714	5.3
165.12729	5.0
169.10123	4.9
171.11691	12.0
173.13301	17.4
175.14830	10.2
177.12657	5.4
183.06491	3.7
185.13321	11.2
187.14783	13.4
191.14098	3.0
195.13814	4.0
197.91394	2.8
199.14922	6.0
201.07564	3.0
205.15907	8.4
219.49657	3.1
231.17416	3.5
231.21123	5.0
241.19498	18.0
259.20578	41.6
275.20078	5.1
277.21674	43.0
293.21042	4.5
333.24200	10.3
351.25299	100.0
379.24387	3.9
385.23828	4.2
421.25613	3.8
459.26996	5.2
472.74011	3.5
477.28415	8.8
495.29285	8.4
513.29889	15.0
533.33691	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	513.3064
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03930	2.6
55.05524	7.5
57.03445	3.4
57.07076	3.8
61.02932	10.1
67.05505	21.7
69.03435	4.0
69.07066	6.4
70.78723	3.2
72.76304	1.5
73.02913	3.5
79.05067	2.3
79.05496	25.8
81.03431	2.8
81.07059	25.8
83.04998	2.7
83.08614	5.0
85.02915	10.3
85.06556	1.8
90.00430	1.3
91.03962	5.5
91.05487	22.0
91.65601	1.4
93.07052	37.7
95.04985	3.0
95.08615	17.9
97.02898	6.2
97.06506	2.5
97.10165	1.7
99.08125	1.3
104.45290	1.6
105.07043	23.8
107.08607	21.8
109.10167	6.1
116.58084	1.3
117.07052	8.1
119.08581	24.7
121.10162	22.8
123.08069	1.7
123.11760	2.5
127.03878	2.2
129.07014	5.1
131.08603	12.1
132.32564	1.4
133.10139	23.9
135.11697	17.9
143.08546	6.2
145.10141	12.6
147.11691	22.4
149.13287	14.1
155.08559	2.1
157.10143	6.0
159.11725	12.1
161.09691	1.7
161.13251	17.9
163.14867	4.7
169.10204	2.0
171.11687	6.9
171.63614	1.6
173.09615	1.8
173.13289	8.3
175.11223	3.3
175.14856	10.1
185.13254	6.5
187.14778	3.5
197.13254	1.6
199.14838	3.7
203.14435	1.6
213.16386	2.6
217.19563	2.9
231.21106	3.6
241.19551	21.1
259.20615	46.9
265.02631	1.4
271.20703	1.6
277.21576	8.7
286.67908	1.6
301.21786	2.0
333.24390	8.7
333.27899	1.6
339.23093	1.7
349.23843	3.5
351.25330	100.0
352.25964	1.6
352.99066	1.8
363.25217	2.6
367.22656	1.9
372.33395	1.4
375.25140	3.5
385.23508	2.1
429.26184	2.0
441.26285	7.8
459.27408	3.9
477.28394	3.0
495.29639	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01855	5.1
55.05508	11.6
57.03429	8.2
57.07079	2.6
61.02919	11.8
67.05505	31.8
69.03415	4.5
69.07076	10.1
71.04982	3.7
71.53360	3.7
73.02907	5.6
73.76862	1.9
74.25941	1.7
75.08787	2.0
79.05499	33.7
81.03416	7.0
81.07059	29.8
83.04947	2.3
83.08607	5.0
85.02924	11.9
85.06557	2.4
86.09737	2.1
91.03940	5.7
91.05488	26.2
93.06482	3.5
93.07048	45.1
95.04975	4.1
95.08610	18.6
97.02894	9.7
97.10213	2.3
98.97590	3.8
99.04468	2.8
99.08102	3.3
105.04472	2.1
105.07031	29.1
107.08594	24.3
109.02859	1.9
109.06496	3.3
109.10152	8.7
117.07009	7.2
119.08598	24.6
121.06536	2.6
121.10148	21.2
123.11766	3.0
127.03864	2.5
129.07007	6.3
131.08568	12.9
133.06514	2.4
133.10149	23.2
135.11699	21.0
137.09613	3.2
143.08580	7.2
145.10146	15.5
147.11700	27.6
149.13245	13.7
153.01759	10.1
157.10155	4.7
159.11694	11.0
161.13269	14.1
163.11179	3.1
163.14799	6.2
165.01811	3.8
165.70526	2.0
171.11674	7.6
173.13289	6.0
175.14850	8.4
177.12816	3.3
185.13300	5.9
199.14874	4.5
201.16438	2.2
209.75209	2.0
213.16458	2.3
214.18063	3.6
217.04976	4.7
238.97464	2.3
241.19540	14.3
245.04417	2.4
257.04477	3.0
259.20584	37.8
269.04419	3.3
273.03882	3.4
277.21692	5.6
285.03912	3.4
285.10184	2.5
299.05533	2.8
301.03424	6.2
301.21652	2.1
302.04169	11.2
303.05029	9.8
303.42133	2.1
313.03409	6.6
327.05045	4.1
333.24274	5.8
339.05115	4.9
351.25296	100.0
353.06467	7.7
375.25101	2.1
441.26163	6.0
451.13892	4.5
459.27222	4.4
477.15338	6.5
477.28107	6.2
495.09869	1.7
495.16461	45.4
495.29312	2.1
513.17548	28.5
513.25769	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.57545	1.3
53.03951	2.8
55.05511	9.0
57.03428	5.3
57.07077	1.7
57.46264	1.6
61.02923	10.6
67.05508	20.2
69.03426	2.6
69.07076	8.1
69.57091	9.3
71.04974	2.6
73.02909	4.8
78.41800	1.3
79.05498	26.1
81.03413	3.1
81.07053	24.6
83.04994	1.5
83.08611	4.9
85.02911	10.5
85.06517	1.3
91.03963	3.0
91.05484	25.0
93.07047	41.3
95.04996	3.3
95.08604	18.7
97.02903	6.2
97.06549	2.2
97.10183	2.5
99.08099	2.5
105.07033	26.3
107.08591	21.3
109.10172	7.6
117.06990	5.8
117.13762	1.7
119.08583	24.0
121.10160	20.0
123.11714	1.9
129.07036	7.1
131.08572	12.5
133.10141	21.9
135.11708	21.3
143.08543	5.5
145.10126	12.0
147.11691	20.5
149.13290	10.7
157.10120	4.9
159.11681	11.3
161.13278	19.7
163.14867	4.7
164.67654	1.5
171.11673	8.6
172.11493	1.4
173.13223	8.7
175.14844	9.8
179.14447	2.2
183.11670	2.4
185.13268	6.9
187.14862	1.9
189.12756	1.6
199.14842	4.0
213.16377	2.5
217.19606	2.8
231.17456	2.4
231.21069	3.0
241.19539	17.8
242.34163	1.6
259.20584	39.7
277.21674	6.2
301.21487	2.0
333.24316	8.2
349.23645	4.5
351.25299	100.0
363.25406	1.9
375.25186	2.4
385.23795	2.2
387.24777	1.9
421.25815	1.7
429.26175	3.1
430.93326	1.4
441.26343	6.0
459.27261	3.9
477.28540	2.5
493.76138	1.5
495.29495	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	513.3041
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
52.97518	0.4
53.92370	0.3
55.05527	0.4
56.96573	0.5
66.20747	0.3
67.05497	0.6
69.03421	0.4
69.07063	0.4
71.53529	0.6
81.07058	0.7
84.08162	0.5
88.07624	0.4
91.05472	0.5
91.30335	0.4
107.08609	0.5
167.37970	0.3
185.04260	0.5
197.26411	0.4
203.05333	1.1
209.19690	0.4
259.07974	0.5
359.45029	0.4
513.30334	100.0
514.30505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.05509	6.4
57.03428	4.6
57.07078	1.5
61.02928	10.4
65.03921	1.6
66.07944	1.5
67.05504	16.7
69.03422	4.3
69.07082	7.1
69.21194	5.0
69.21615	8.5
73.02927	3.5
79.05492	27.6
81.03419	2.0
81.07063	24.4
83.04993	1.8
83.08627	4.7
83.70600	1.2
85.02902	9.2
85.06541	1.3
91.03960	3.8
91.05490	23.7
93.07049	41.5
95.04971	2.3
95.08617	18.4
95.09200	2.4
97.02899	5.8
97.06559	1.9
98.97592	1.3
99.04481	1.3
99.08054	2.0
101.51748	1.3
105.07042	22.0
107.08603	21.6
109.10177	5.5
117.07024	5.6
119.08591	21.6
121.10152	20.4
123.11747	1.9
127.03914	1.5
129.07004	4.6
129.92073	1.2
131.08577	10.4
133.10139	24.0
135.08093	1.8
135.11690	19.7
143.08559	6.5
145.10132	10.6
147.11711	17.0
149.09593	2.6
149.13284	12.0
151.11137	1.6
157.10164	5.4
159.11691	12.1
161.13261	13.9
163.14830	3.6
171.11737	8.0
173.13274	5.0
175.11261	1.9
175.14766	7.1
177.12714	2.0
185.13306	6.5
185.33324	1.3
187.14804	3.0
189.12683	2.0
199.14975	2.4
213.16371	1.4
217.19469	3.3
231.21037	3.0
241.19548	15.7
259.20593	44.6
277.21576	6.9
333.24329	6.9
349.23868	2.8
351.25317	100.0
367.22708	2.2
375.25235	2.7
403.25058	2.3
441.26282	5.8
459.27435	4.0
477.28558	3.6
495.29312	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	513.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71601	0.3
56.96560	0.4
61.16609	0.3
69.03460	0.4
69.07067	0.5
70.06603	1.5
71.53381	0.6
79.05475	0.4
81.03403	0.6
81.07097	0.5
84.04512	0.4
84.08154	0.5
85.02899	0.9
86.09705	0.6
87.04449	0.3
91.05491	0.7
93.06995	0.7
95.08621	0.4
97.02898	0.3
98.97576	0.8
107.08585	0.7
119.01946	0.4
119.08602	0.4
129.10214	0.3
131.08557	0.6
143.01924	0.5
161.02917	0.3
193.04948	0.4
219.01797	0.5
227.05347	0.5
237.02780	0.6
245.06413	2.0
247.13251	0.5
249.03067	0.4
265.14191	3.0
271.04358	1.1
289.05234	2.7
293.13828	0.4
427.19415	6.2
451.19504	0.6
469.20535	12.3
513.19489	100.0
514.19916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.1
55.01868	9.1
55.05298	1.4
55.05514	13.8
55.53839	1.4
56.96583	2.1
57.03424	6.3
59.04985	2.4
61.02920	5.0
67.05515	7.8
68.39934	1.2
68.99783	2.5
69.03431	33.3
69.07074	11.0
69.99455	5.5
70.06594	1.7
71.05006	6.7
72.43704	1.5
73.02906	6.3
79.05506	8.1
81.03425	36.2
81.07060	12.3
83.04984	15.5
83.08636	4.6
85.02908	58.1
85.06541	3.9
86.09717	2.0
87.00831	21.7
89.90308	1.2
91.03961	1.5
91.05460	8.9
93.07050	18.6
95.04967	28.5
95.08613	10.7
96.41576	1.3
97.02894	21.9
97.06532	5.3
98.20888	2.0
98.97598	2.9
99.04443	9.7
100.03748	1.2
101.06018	6.7
105.01868	17.4
105.07029	11.2
107.08601	17.6
109.02888	30.4
109.06531	12.2
109.10173	12.6
111.04461	3.2
111.08092	2.1
117.01852	3.4
117.07000	3.0
119.04903	3.0
119.08578	10.7
121.06460	3.7
121.10154	14.1
123.08061	3.8
123.11726	7.4
125.05927	2.4
127.02974	2.3
127.03915	45.6
127.04828	3.0
129.01816	5.0
131.08575	8.9
133.06480	1.6
133.10139	7.7
135.08055	14.9
135.11694	10.5
137.09607	4.7
139.78288	1.4
143.08563	4.6
145.04982	16.5
145.10132	12.3
147.02904	3.0
147.08000	2.9
147.11691	12.1
149.09622	9.1
151.07529	2.8
153.01849	4.3
155.08549	1.9
156.09244	1.6
157.10179	2.1
159.02904	14.3
159.08003	5.3
159.11685	5.4
161.09627	5.9
161.13268	4.8
163.11197	15.4
163.15007	1.8
165.12755	50.3
171.11682	3.5
173.09570	3.4
177.09129	11.5
177.12749	1.5
177.16330	1.8
179.10666	1.4
185.13307	2.9
187.11211	1.4
187.14832	10.0
189.12772	12.6
189.88510	1.5
191.10628	10.1
191.14297	2.5
193.12210	1.8
201.16333	3.7
205.15886	18.1
211.14844	2.7
213.03920	3.8
217.15816	2.2
219.17456	4.1
229.15976	7.8
231.04994	12.4
235.16809	1.8
247.16946	100.0
249.05984	1.6
253.15508	1.6
259.09622	2.3
265.17990	99.1
266.18417	1.6
307.09756	1.5
344.09229	1.5
426.72510	1.6
451.14035	2.1
451.22879	2.4
495.16476	4.4
495.22641	2.5
513.23010	44.8
518.05695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70888	0.3
55.05481	1.4
57.07076	13.2
58.06570	1.1
63.23662	0.3
67.05501	1.6
69.07071	1.8
69.48976	2.4
70.06594	11.5
71.08632	5.8
72.20332	0.3
73.02905	0.7
77.48595	0.3
79.05418	0.4
81.07054	2.3
83.08617	1.7
85.10184	3.7
88.07632	16.6
89.06004	1.0
89.91375	0.3
93.07004	0.5
95.08616	2.3
97.10137	1.1
102.09182	10.6
106.08639	0.6
109.10151	0.6
133.08603	0.7
154.65686	0.3
212.23712	0.3
228.23201	4.2
230.24776	0.4
246.24352	0.4
256.26355	41.0
274.27420	3.8
283.26309	42.6
301.18900	0.3
311.29471	3.9
327.20248	0.4
462.54697	0.3
512.50385	100.0
513.22614	0.3
513.50775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.1
55.01880	14.4
55.05524	12.8
56.96558	8.4
57.03448	11.5
61.02929	25.3
61.56104	2.3
65.03940	3.0
66.09564	2.1
67.05512	39.6
69.03442	15.9
69.07072	28.9
69.39014	2.0
71.01377	3.1
71.04985	3.6
71.53713	2.1
73.02927	11.6
73.31419	1.9
79.05496	26.8
81.03422	29.3
81.07060	45.1
83.04996	10.3
83.08622	8.2
84.95988	2.4
85.02914	23.5
87.04427	2.6
91.03946	11.0
91.05486	45.6
93.07056	28.8
95.01328	6.6
95.04967	8.4
95.08617	25.3
97.02895	18.6
97.06541	21.8
97.10169	2.8
98.97583	6.0
99.04475	2.8
101.02385	8.4
105.07043	59.2
107.04977	14.2
107.08598	14.9
109.02863	5.8
109.06502	8.1
109.10149	9.0
111.04462	4.5
111.08066	4.1
117.07051	12.7
117.99350	2.3
119.08578	28.2
121.06493	4.0
121.10156	9.1
123.04424	2.9
123.08088	4.7
123.11696	2.1
125.09650	4.1
127.03910	11.6
129.06995	3.8
131.08580	19.9
133.10130	36.0
135.08054	4.0
135.11713	12.2
141.07019	3.1
143.08591	3.9
145.04944	3.4
145.06474	4.3
145.10149	16.9
147.11714	15.3
149.09612	6.7
149.13251	4.5
151.11206	2.8
151.39766	1.9
153.01868	2.3
157.10133	6.0
159.11769	10.6
161.13214	7.1
163.11172	7.7
165.09056	3.7
166.11243	1.8
171.11655	4.2
173.13251	4.7
175.11217	3.7
175.44353	1.9
177.12769	3.3
179.14331	14.8
187.11177	2.5
192.18822	2.1
193.12280	7.6
197.13300	3.9
201.07585	2.1
211.13266	5.0
229.07495	6.4
239.18050	2.9
241.14316	2.3
247.08374	3.0
247.20538	3.5
257.19058	10.1
267.09058	3.0
267.16016	3.3
269.12207	2.8
275.20087	100.0
276.11331	2.2
283.15463	2.2
285.10110	4.2
293.20911	3.5
319.13211	3.8
340.15335	3.9
349.23749	45.6
365.15482	4.5
365.65640	11.6
377.23264	3.1
396.23328	2.2
457.26001	3.9
493.28140	6.9
511.11688	11.5
511.28940	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	511.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
67.05510	1.9
69.03426	1.1
69.07074	0.6
69.30817	2.6
69.31228	0.8
71.57465	0.3
79.05014	0.4
79.05486	1.3
81.03410	1.5
81.07053	1.5
83.04975	0.6
83.08558	0.4
85.02896	1.2
85.06541	0.8
89.03913	0.4
91.05482	1.9
93.07033	1.5
95.05006	0.7
95.08595	1.3
97.02867	0.8
97.06532	1.0
98.97606	0.5
102.19907	0.3
103.05477	0.4
105.07023	1.1
106.46557	0.4
107.08564	0.6
109.02868	0.6
111.08065	0.4
117.03392	0.9
119.08573	0.9
121.06521	3.4
121.10179	0.4
122.06829	1.1
127.03859	0.9
133.02809	0.5
133.06488	0.6
133.10098	1.0
137.05980	0.8
143.00221	0.4
145.02866	2.0
145.10031	0.4
146.03210	0.6
147.11694	0.5
149.05939	0.6
155.19623	0.4
161.13235	0.8
163.03827	0.5
167.07101	0.7
173.02718	0.4
177.05458	4.2
178.05836	1.8
179.14297	0.7
184.07387	1.1
187.74738	0.4
192.06610	0.4
193.12221	0.4
201.05504	1.3
202.05779	1.0
215.07179	0.4
221.05165	0.5
243.08502	0.9
245.18979	0.5
261.09564	1.8
305.17596	0.4
312.12222	0.8
313.12610	0.7
315.10699	0.6
315.14044	0.5
323.18530	1.7
341.19623	0.8
356.12418	0.5
379.13580	0.8
393.15295	0.6
394.16092	2.4
449.21558	4.7
451.19354	2.9
463.19550	1.1
493.20401	1.2
493.27640	0.6
511.21500	100.0
512.21680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2158
Annotation	3-[4-[1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxyisopropoxy]-2-hydroxyphenyl]propyl alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01861	0.2
55.05513	0.4
56.96563	0.2
57.03428	0.2
61.57027	0.2
65.57242	0.2
67.05492	0.7
69.03420	0.5
69.50359	0.4
69.50768	1.3
71.05007	0.3
73.16890	0.2
79.05496	0.7
81.03427	0.5
81.07050	0.7
83.04973	0.5
83.08656	0.3
91.05499	0.8
93.07037	0.9
95.04902	0.3
97.06534	0.6
98.97607	0.3
105.07027	0.8
107.08668	0.3
109.06441	0.2
109.10168	0.5
117.04086	0.2
117.07084	0.3
119.08585	0.5
121.10115	0.3
125.05974	0.6
125.35255	0.3
129.03954	0.3
152.55614	0.3
154.00031	0.3
157.02003	0.2
157.10185	0.3
159.11794	0.2
165.09177	0.3
169.04601	0.2
174.45761	0.2
191.10666	0.3
195.13942	0.2
243.08455	0.5
245.10255	0.3
261.09534	1.3
300.98373	0.3
379.13718	0.8
393.15289	0.4
394.15912	1.4
423.20148	0.4
435.16119	0.2
449.21558	4.0
451.19061	2.4
467.22324	1.8
493.20694	0.6
493.27948	0.3
502.92273	0.3
511.21533	100.0
512.21814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01869	4.3
55.05513	6.2
57.03440	4.1
61.02923	1.3
62.72264	1.2
65.03947	1.8
67.05511	11.3
69.03435	3.7
69.07067	2.3
69.27603	8.9
70.06586	1.9
71.05011	3.2
73.02921	1.5
79.05505	13.0
81.03425	100.0
81.07072	9.2
83.04977	5.1
83.08621	21.8
85.02908	4.9
85.06534	1.5
86.09716	2.5
91.05489	16.9
93.07051	7.9
95.04971	27.2
95.08625	4.9
97.02890	3.3
97.06567	1.2
97.10197	2.2
98.97607	1.3
99.04456	2.7
100.11259	1.4
105.07039	11.2
107.04982	6.6
107.08617	4.1
109.02903	3.7
109.06536	2.5
109.10169	2.1
111.04440	2.2
111.08102	9.7
112.99170	1.1
117.07022	1.5
119.08596	9.4
120.08107	1.9
121.06526	3.6
121.10140	5.2
123.04443	3.6
123.08072	2.2
127.03934	1.9
129.07028	8.1
131.08566	5.9
133.06537	3.6
133.10156	6.0
136.07660	1.4
137.05981	1.8
137.09631	1.8
142.07797	2.3
145.10181	2.2
147.04430	1.5
147.08069	4.4
147.11670	5.9
149.09641	4.0
157.10153	9.3
163.11267	1.4
164.07066	1.7
165.12804	2.4
175.11220	11.2
179.03821	1.9
184.07310	1.8
185.83882	1.2
193.12260	86.6
197.04825	1.5
211.13326	10.1
227.20122	1.9
235.13318	4.7
249.14915	1.3
259.13394	1.8
263.09497	2.9
267.15948	47.1
273.14905	1.9
285.14148	1.5
285.17020	21.1
301.14453	4.2
305.10660	2.5
309.17026	8.5
319.03973	1.2
324.11392	1.7
331.27188	1.4
375.17941	2.2
377.01801	2.0
383.11685	1.5
403.31351	1.3
475.31354	3.4
493.17422	2.8
493.32135	2.1
511.28320	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	510.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87410	2.0
53.03925	2.2
53.71712	1.7
55.05502	7.5
57.03429	4.5
57.07080	61.6
57.13905	1.7
58.29179	2.0
60.22732	2.1
67.05247	1.6
67.05507	18.6
67.96167	1.7
69.03432	10.5
69.07079	14.3
71.08256	2.4
71.08638	43.4
71.53613	2.0
73.02917	2.6
81.03414	4.6
81.07062	29.1
83.04990	2.4
83.08629	19.4
85.02517	2.1
85.02921	24.0
85.10189	33.7
86.09704	2.4
95.08613	44.0
97.02893	12.9
97.10183	12.2
97.63392	1.9
99.04448	5.7
104.10719	2.5
109.02885	6.6
109.10162	20.4
116.33916	2.0
123.11728	10.1
127.03922	20.6
127.62921	2.0
133.37073	1.9
137.13239	4.0
145.04970	15.1
151.14766	2.5
176.24756	1.8
177.36530	2.1
184.07207	2.3
211.99043	2.3
221.22617	3.8
239.23701	51.4
257.24948	3.9
292.28918	2.0
313.27411	15.9
329.26849	3.7
331.28308	4.4
383.27957	41.1
401.29004	100.0
510.36057	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	510.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01876	9.1
55.05517	30.0
55.77834	1.5
57.03441	20.6
57.07067	6.6
57.09028	1.5
62.06104	2.2
65.03929	2.5
67.05507	82.8
69.03427	2.3
69.06733	2.2
69.07073	28.2
69.26791	15.2
71.04995	4.9
71.08635	37.5
79.05499	53.0
80.05023	3.4
81.03433	8.6
81.07059	79.6
82.06571	2.7
83.04983	11.8
83.08619	19.7
85.02921	2.0
85.06554	4.2
90.76025	1.7
91.05486	45.8
93.07047	64.1
95.04979	12.8
95.08613	38.4
97.06516	12.4
97.10148	7.9
98.21459	3.0
98.98478	5.8
99.08103	32.3
103.03988	2.0
105.07037	32.3
107.04954	3.6
107.08604	28.1
109.06516	4.9
109.10153	10.8
110.09685	1.7
111.08083	6.1
113.09653	3.0
115.59190	1.7
117.07011	12.9
119.08588	17.2
121.06520	3.2
121.10157	18.1
123.08024	3.6
123.11750	4.0
124.01591	2.0
125.09637	3.0
125.77209	1.5
126.12785	1.9
129.05476	5.6
129.06999	6.7
131.08562	9.8
133.10138	21.3
135.08084	1.7
135.11693	14.0
137.09625	2.7
139.07532	1.8
139.11220	4.7
139.79666	1.6
141.12743	2.2
142.02679	2.0
143.08531	4.7
145.10204	8.6
147.11723	9.5
149.09602	2.4
149.13275	17.7
151.11189	24.4
155.01056	1.9
157.10132	4.2
159.11748	9.8
161.09592	1.7
161.13278	13.5
163.11180	16.0
163.14897	4.2
165.12778	4.1
171.11685	10.9
175.14835	3.9
177.12764	6.6
179.14331	10.8
185.13228	5.2
195.13779	12.6
196.10915	2.8
198.05206	2.0
213.14870	2.5
216.06395	2.8
217.19487	3.3
220.16971	9.4
224.10553	2.0
229.14392	3.9
231.21127	1.9
238.18021	9.6
241.19473	15.7
243.21152	4.4
251.16522	8.0
253.17816	2.5
255.16031	4.2
259.20587	11.5
263.19412	1.5
269.14523	3.4
269.17477	70.0
272.81876	1.6
277.21622	25.5
294.20667	3.4
295.23044	1.7
302.24634	1.9
308.71155	1.7
320.25772	5.2
333.24240	44.1
336.15790	3.0
349.14355	2.9
351.25305	100.0
369.26337	61.5
374.17218	10.5
378.16931	2.0
392.18317	40.5
456.25067	2.1
474.26138	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	510.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65473	1.8
53.03932	4.9
55.01870	4.9
55.05513	22.4
57.03438	15.5
57.07076	3.5
57.09312	1.6
62.06075	2.4
65.03925	3.0
66.34624	1.9
67.05509	44.3
69.03425	2.5
69.07084	15.3
69.07398	2.7
69.96574	1.9
70.84216	3.6
71.08637	31.3
79.05497	36.1
81.03423	2.5
81.07058	46.3
82.06559	1.9
83.04971	7.7
83.08630	14.2
85.02915	3.0
85.06541	4.4
91.05481	24.5
93.06494	2.5
93.07051	37.2
95.04981	5.2
95.08619	23.6
97.06525	8.4
97.10155	8.8
98.98457	3.7
99.08096	17.2
105.07049	16.0
107.08588	18.8
109.06508	3.9
109.10194	10.6
111.08083	5.4
117.07018	8.0
117.60301	2.0
119.08595	11.0
121.10132	11.1
123.08070	4.0
123.11729	2.7
125.09607	5.1
127.07577	1.8
129.05460	1.9
129.07002	5.0
129.70485	1.7
131.08572	5.6
133.10141	11.1
135.11691	8.3
139.11156	3.7
145.10138	3.7
147.11703	4.6
149.13287	9.9
151.11180	13.2
153.86864	1.7
157.10089	2.1
159.11716	7.3
161.13280	6.7
163.11165	9.6
163.14781	2.4
171.11671	4.7
175.14749	2.4
177.12772	5.4
179.14304	6.7
189.11237	2.9
195.13782	7.2
196.13326	4.8
216.06346	2.7
220.16965	6.3
227.12883	2.6
238.18002	5.5
241.19518	5.4
251.16391	2.2
259.20615	7.8
269.17480	45.0
277.21707	22.9
294.20761	2.6
320.25955	2.8
333.24130	14.7
336.15848	2.5
351.25317	100.0
369.26416	40.4
374.17236	5.5
392.18347	26.8
473.96118	2.5
474.26279	6.3
492.27286	5.4
510.29507	3.0
510.52142	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84442	0.5
53.03941	1.1
55.01876	4.4
55.05518	5.4
57.03432	2.4
57.07065	3.4
61.02929	0.8
67.05505	5.1
69.03436	5.3
69.07073	10.9
70.03629	2.0
71.04993	2.6
71.08637	4.0
71.79686	0.7
73.02920	3.3
77.18880	0.6
79.05497	4.2
81.03421	5.1
81.07062	18.2
82.07399	1.0
83.04987	2.8
83.08633	4.7
83.57977	0.6
85.02916	21.5
85.06553	4.4
85.10187	2.3
86.09696	2.8
87.00848	5.5
91.05474	2.5
93.07060	5.1
95.04993	1.2
95.08617	7.2
95.95359	0.7
96.08927	0.7
97.02919	5.1
97.06516	2.1
97.10173	2.3
98.21405	1.0
99.04452	4.0
99.08096	1.4
101.02397	7.6
104.10755	3.3
105.01885	2.4
105.07041	7.7
107.08611	5.6
109.02882	5.2
109.06532	4.0
109.10163	2.6
110.10487	1.0
111.04442	0.8
111.08064	1.5
113.05976	1.3
115.07571	0.9
117.01814	0.8
117.03339	0.6
117.07006	1.2
119.08577	5.1
121.10152	8.3
123.04459	0.6
123.08073	2.4
123.11722	19.6
124.12083	0.6
125.00049	0.7
127.03928	6.1
127.07561	4.9
129.01837	0.7
129.07024	0.7
131.08539	0.7
133.10081	0.9
135.08051	0.7
135.11703	1.3
137.09595	0.8
137.13261	2.2
141.09096	2.2
145.04980	2.0
145.10123	0.9
147.10521	1.2
147.11699	24.8
149.13254	0.7
151.14944	0.7
155.14311	5.4
157.10173	0.8
159.02888	1.8
165.12770	15.6
183.13815	72.2
184.07259	2.9
193.12379	0.9
201.14874	100.0
214.60884	0.8
227.16405	2.1
231.05014	1.6
235.13460	0.8
235.30009	0.6
259.09555	0.8
283.15494	0.7
289.05307	2.6
290.05673	1.5
349.23984	0.7
351.25229	0.7
448.91397	0.7
460.27423	0.9
510.23508	4.8
510.35339	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14813	0.6
51.24361	0.6
55.01866	4.5
55.05516	4.8
56.96552	1.1
57.03429	2.0
57.07066	1.7
62.06070	0.8
67.05513	6.2
69.03417	2.0
69.07076	5.4
69.74287	3.5
70.06599	1.3
71.08605	0.9
78.10214	0.7
79.05500	5.2
81.03416	1.7
81.07061	20.8
82.07408	0.7
83.04997	3.8
83.08620	2.9
85.02896	2.6
85.06548	1.2
86.09708	0.9
87.00846	0.7
91.05473	4.4
93.07052	5.3
95.04974	1.4
95.08614	7.9
97.02903	1.0
97.06541	2.2
97.10155	0.7
98.97560	0.7
99.08108	0.9
101.09595	0.7
105.07056	3.8
107.04936	1.1
107.08601	6.0
109.02871	0.8
109.06525	9.9
109.10165	3.6
111.03725	1.1
111.04453	18.2
111.08099	3.1
113.06045	0.8
119.08585	4.6
121.06554	0.7
121.10169	5.0
123.08088	1.7
123.11730	2.9
125.05984	4.5
125.09634	1.4
131.08589	2.5
133.10141	5.0
135.08041	2.4
135.11681	5.8
137.05988	100.0
137.13239	1.6
139.07585	0.9
143.08575	1.5
144.40317	0.6
145.10143	1.8
146.06079	1.0
147.08018	1.8
147.11700	6.1
149.09627	4.9
149.13278	2.0
151.07591	4.1
151.11130	1.2
155.14362	1.9
157.10107	2.4
159.11736	1.5
161.09627	7.2
161.13275	2.7
163.11186	3.6
165.09128	3.7
165.12692	0.9
167.10692	1.1
171.11710	1.2
172.60425	0.6
173.13184	1.0
175.11211	4.6
175.14815	1.4
177.12740	1.1
179.10695	2.4
179.14326	0.6
181.76544	0.6
183.13806	1.8
184.07422	0.8
189.12727	1.3
193.12279	1.8
198.05272	1.1
201.14783	1.1
203.14497	0.6
203.17990	7.0
205.19652	1.0
213.16354	3.7
213.72932	0.6
216.06346	1.1
219.01923	0.8
221.19034	2.7
223.14772	0.7
231.17447	10.3
241.15977	1.1
249.18498	7.7
259.09671	1.0
277.18005	52.5
278.18146	0.8
295.19043	7.6
320.22211	4.6
351.21683	73.5
352.22046	0.9
369.22760	42.9
386.24423	0.9
431.18411	2.7
460.27493	1.2
474.22501	1.3
475.25531	0.8
479.51071	0.7
492.23386	4.5
510.18036	1.0
510.25397	4.7
511.27927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03928	3.3
55.01848	4.0
55.05273	1.2
55.05513	17.6
55.76675	0.9
57.03411	3.3
57.07085	6.0
57.07303	1.4
61.02902	1.5
65.03938	1.4
67.05188	1.5
67.05507	21.2
69.03434	5.5
69.07069	22.2
69.87032	5.5
71.04975	3.6
71.08627	2.3
79.05087	1.2
79.05497	17.9
81.03419	8.9
81.07062	48.9
83.04968	5.5
83.08630	13.7
85.02910	12.1
85.06541	6.4
87.00787	1.2
90.02281	1.0
91.05490	13.2
93.07051	17.8
95.04964	8.3
95.08608	41.8
97.02876	3.6
97.06541	5.8
97.10175	12.8
99.04442	1.6
99.08080	3.0
101.06012	1.1
105.01836	1.7
105.06504	0.9
105.07037	9.7
107.04953	7.4
107.07980	1.3
107.08598	12.1
109.02844	4.4
109.06530	7.3
109.10157	25.5
111.04433	2.6
111.08062	3.0
111.11753	6.7
113.09642	1.9
117.06987	3.8
119.01916	1.3
119.08597	6.4
121.06474	3.8
121.10162	8.6
123.04380	1.3
123.08082	1.5
123.11714	12.0
125.05983	1.6
125.09604	3.6
125.13235	2.7
127.03928	4.9
127.11171	2.8
129.06999	2.3
129.12788	1.3
131.08601	6.8
133.06432	1.3
133.10127	6.5
135.08012	2.8
135.11697	7.4
137.05870	1.7
137.13235	6.6
139.07463	1.3
143.08504	2.3
143.14345	1.9
145.04918	1.4
145.06441	2.3
145.10158	6.5
145.11118	1.6
147.07965	1.2
147.11693	5.0
149.09564	2.0
149.13252	6.9
151.11180	1.2
151.14847	11.2
153.09093	2.0
153.12700	4.4
155.08528	1.5
155.14299	1.2
157.10124	2.4
159.02808	1.1
159.11685	2.7
161.09592	1.5
163.03900	2.6
163.07483	1.2
163.11151	4.3
163.14780	2.8
165.12680	2.0
165.16333	3.0
167.10651	1.5
167.14349	1.4
168.43475	1.2
169.10127	1.4
171.08022	1.4
171.11661	1.7
172.51591	1.0
173.09578	2.1
173.13210	2.6
175.11050	1.3
179.18008	1.4
181.10263	1.0
181.12044	1.2
183.13730	1.4
183.17473	1.6
184.07434	1.5
185.13315	1.2
187.14761	1.3
189.11082	1.4
191.10573	1.6
193.12178	2.6
199.11102	1.2
199.13222	1.3
201.12930	1.5
201.14815	3.9
203.05229	3.5
209.11662	4.6
211.13167	1.3
219.13751	3.5
227.05397	1.5
227.12723	5.5
233.11670	3.0
243.21010	2.3
245.06422	6.7
245.08505	1.3
259.09641	1.1
261.22025	1.3
267.15829	1.7
271.04187	2.0
273.14542	1.7
275.27200	3.9
281.28333	3.2
283.15384	3.2
287.03726	11.9
289.05304	75.5
293.17477	1.4
293.28406	10.9
307.64774	1.1
311.29446	6.6
312.96243	1.0
329.30316	2.1
340.30682	1.1
349.21432	1.8
350.24075	2.8
354.76559	1.1
367.22723	6.1
385.23520	4.7
441.26022	1.8
450.60107	1.2
459.27386	8.0
465.24545	12.2
477.28375	5.1
491.22382	4.6
491.29892	1.9
509.23294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09393	0.3
53.03929	0.3
55.01868	0.6
55.05511	2.1
57.03431	0.7
57.07067	0.5
65.03929	0.4
67.05508	5.3
69.03423	2.1
69.07075	1.7
71.04980	0.7
79.05485	2.2
81.03402	2.1
81.07057	7.0
83.04972	1.3
83.08615	0.8
85.02907	1.8
85.06542	1.8
87.00855	0.6
91.05481	2.4
93.07036	3.4
95.04965	0.9
95.08615	5.8
97.02895	0.6
97.06546	0.9
97.10175	0.5
101.05966	0.5
105.01804	0.3
105.07043	1.4
107.04946	0.7
107.08600	2.7
109.02888	0.6
109.06531	0.7
109.10165	6.6
111.08112	0.7
111.11713	0.6
113.09583	0.4
117.06976	0.6
119.08593	4.2
121.06505	0.9
121.10137	2.0
122.07317	1.6
123.08077	0.7
123.11723	3.5
125.06031	0.5
125.09586	0.9
127.03912	1.4
129.07022	0.4
131.08537	1.1
133.10121	1.5
135.08037	1.1
135.11699	1.1
135.13472	0.4
137.05898	0.4
137.09622	10.6
137.13249	0.6
139.11197	0.6
143.08566	0.6
145.10086	1.0
147.08043	0.6
147.11693	0.6
149.09628	1.9
149.13239	1.5
151.07542	0.5
151.11134	0.5
157.08675	0.5
157.10136	0.5
159.02859	0.5
159.11702	1.0
163.11205	0.7
165.09120	100.0
166.09467	0.5
167.10707	0.7
169.12306	0.4
171.11726	0.5
173.09488	0.4
173.13284	0.5
175.11230	0.9
175.14854	0.4
177.09117	0.9
177.12788	0.4
179.10684	1.0
179.87012	0.3
185.11792	0.8
187.11249	0.4
187.13292	0.9
189.11160	0.4
189.12727	0.7
191.10652	1.6
193.12265	1.4
196.65561	0.4
201.11038	0.4
201.16295	0.4
203.10530	0.4
205.12251	7.2
211.13271	0.4
215.10791	0.4
215.12801	0.5
227.12723	0.4
229.12355	0.5
231.04938	0.4
245.15234	0.4
257.46320	0.3
259.09720	0.4
259.16916	0.4
275.23868	0.4
289.21481	1.4
293.24683	0.5
303.19537	0.8
309.24158	0.4
321.24277	1.3
339.25247	1.2
377.73386	0.4
385.23694	0.4
427.32068	0.5
445.33286	0.6
451.97879	0.4
473.32538	0.9
509.22931	0.5
509.28305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05508	1.6
56.96561	1.0
61.70821	0.4
67.05510	5.3
69.03423	1.0
69.07080	1.8
70.65099	0.9
71.04996	0.4
72.89507	0.4
79.05507	3.0
81.03418	1.9
81.07064	6.4
83.04976	1.3
83.08590	0.8
85.02888	1.1
85.06532	0.8
91.05482	2.4
93.07059	3.2
95.04969	1.1
95.08616	4.2
97.02901	0.9
97.06553	1.0
98.97578	1.3
100.51263	0.4
101.06082	0.4
105.07021	1.8
107.04925	0.7
107.08596	2.1
109.06562	0.7
109.10177	5.7
111.04494	0.4
111.11736	0.5
116.98615	0.4
119.08583	3.5
121.06516	1.0
121.10148	2.2
122.07274	1.1
123.11716	3.8
125.09615	0.6
127.03922	0.7
128.98622	0.5
129.05435	0.4
131.08580	0.7
133.10112	1.3
135.08070	0.9
135.11644	0.9
137.05939	0.4
137.09619	11.8
137.13213	0.5
140.98534	0.5
143.08583	0.6
145.05023	0.4
145.10147	0.6
147.08078	0.6
147.11739	0.9
149.09615	1.7
149.13277	2.1
151.11151	0.4
159.11754	0.7
161.09631	0.5
165.09125	100.0
166.09430	0.7
167.10640	0.5
173.11833	0.4
175.11211	0.5
177.09109	0.7
179.10678	0.8
184.07405	0.7
185.11746	1.4
187.13234	0.6
190.09857	0.5
191.10597	0.6
205.12242	7.3
215.12755	0.6
237.02846	0.7
269.12198	0.5
289.05280	0.6
289.21652	1.1
293.24887	0.5
321.24234	1.1
339.25281	1.5
473.32617	1.3
479.19296	1.2
509.21207	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	509.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.9
55.01877	21.3
55.05516	63.3
57.03437	22.9
57.07084	6.4
58.52736	3.3
59.05007	4.7
60.55934	3.2
61.02931	6.8
67.05508	82.0
67.28127	3.3
69.03429	19.4
69.07066	36.2
71.01347	3.8
71.04986	19.1
71.53865	5.9
73.02979	3.5
73.77566	4.0
79.05492	98.9
81.03427	39.4
81.07061	88.1
83.04979	26.1
83.08616	33.7
85.02906	28.5
85.06564	8.8
86.09708	5.0
87.00826	6.7
91.05485	69.5
93.07050	72.2
95.04973	65.5
95.08611	56.2
97.02891	13.0
97.06538	20.3
97.10178	42.3
99.04451	5.1
105.01855	5.4
105.07031	51.2
107.04958	49.3
107.08595	53.7
108.08933	8.9
109.02860	7.5
109.06520	36.4
109.10151	39.7
111.04459	10.0
111.08117	8.9
113.06013	3.9
117.07034	23.9
119.08583	41.0
121.06480	29.9
121.10111	34.2
123.04426	7.3
123.08075	11.0
123.11705	9.0
125.06030	5.4
125.09627	39.2
125.52117	3.6
127.03929	8.4
128.06291	5.3
129.07005	14.3
131.04950	5.6
131.08563	33.0
132.08913	3.4
132.72475	3.5
133.06421	4.8
133.10158	22.4
135.08075	22.3
135.11688	13.7
137.05978	6.8
139.11118	4.5
141.07014	8.0
143.08575	17.0
145.04974	5.9
145.06471	13.8
145.10110	28.0
147.08069	12.6
147.11674	8.8
149.09621	9.9
149.13210	3.6
151.11214	6.1
153.09122	11.1
153.12747	3.9
155.08562	5.9
157.10112	6.4
159.08025	4.7
159.11720	16.1
161.06023	7.6
161.09663	12.2
163.03915	3.9
163.11182	25.1
167.08568	4.7
167.10641	11.1
169.10191	7.3
173.09555	4.5
173.13260	10.8
175.07617	4.3
175.11194	9.3
177.12704	4.6
181.10152	7.0
181.12273	5.8
187.11218	4.2
187.14873	9.0
189.11208	16.7
189.12723	5.1
191.10725	6.3
191.14326	9.0
193.12262	16.4
196.13377	4.9
197.13367	8.8
199.13318	14.4
201.12790	8.2
201.16296	5.5
209.11690	14.1
211.13245	6.5
213.12622	4.4
219.13814	19.7
223.13210	8.3
227.12772	22.7
233.11760	4.8
233.15372	11.2
243.21263	4.1
245.06395	8.2
261.22058	4.3
267.15814	9.6
271.17215	6.7
273.14758	10.3
273.17087	12.6
283.15543	9.7
287.03860	20.6
289.05328	100.0
293.17398	14.1
319.24551	4.3
339.23044	3.8
349.21365	18.0
350.24020	45.8
367.22711	57.3
368.25018	5.3
385.23697	54.1
403.24832	13.0
441.26328	9.9
459.27405	79.8
465.24554	10.6
477.28366	36.9
491.29825	23.0
509.22537	77.3
509.29712	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	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36261	4.9
52.53196	4.8
53.03947	12.7
55.01871	9.2
55.05511	56.8
57.03436	20.9
59.05001	6.2
65.03963	5.5
66.20177	4.6
67.05506	74.0
69.03426	12.7
69.07069	33.6
70.77917	11.3
71.04987	16.1
79.05502	68.8
81.03439	28.5
81.07062	100.0
82.07401	11.9
82.48155	4.7
83.04981	17.5
83.08617	29.9
85.02898	12.7
85.03979	4.3
85.06509	5.8
86.75506	4.2
87.04522	4.2
91.05482	49.3
93.07044	78.8
94.07393	6.2
95.04977	55.6
95.08604	33.8
97.02901	5.1
97.06523	17.4
97.10170	37.2
99.08076	8.0
105.07047	29.5
106.07417	4.4
107.04952	43.6
107.08607	41.4
109.06532	37.0
109.10152	19.0
110.10461	5.4
111.08116	5.1
117.07009	24.8
119.08558	26.6
121.06543	24.4
121.10179	32.6
123.08091	11.2
123.11742	6.0
125.09660	28.1
127.03955	5.8
129.06973	12.0
131.04951	6.3
131.08568	26.0
133.06503	8.9
133.10135	19.1
135.08037	16.7
135.11713	14.8
143.08615	7.5
145.06488	16.5
145.10133	21.9
147.08102	11.1
147.11716	10.3
149.09641	16.6
153.09070	6.5
155.08537	7.3
157.10135	13.6
159.11691	14.4
161.09663	7.8
163.11201	20.9
165.09071	6.9
167.10664	9.6
169.22263	5.2
170.35350	4.4
171.07957	5.7
173.09676	5.6
173.13234	7.8
187.11205	7.9
189.11194	16.4
189.12714	6.8
191.10670	8.5
191.14296	5.9
193.12183	6.9
195.11702	4.5
197.13313	5.8
199.13347	14.3
219.13794	18.8
223.13254	6.1
226.39650	5.6
227.12801	14.2
233.15410	7.9
258.19424	5.4
267.15994	5.2
269.17487	5.0
270.17841	19.5
273.14609	9.2
273.17245	7.8
276.20346	8.9
289.05496	7.0
293.17395	21.1
293.74878	4.8
294.82199	4.4
313.83481	4.8
332.23035	6.3
339.23135	5.4
349.21756	9.6
350.24146	36.0
367.22577	48.5
368.25302	28.8
385.23721	46.9
393.18478	11.3
403.24704	15.7
441.26270	12.1
459.27466	79.8
477.28604	44.6
491.30286	24.1
509.28223	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	509.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	16.0
55.01872	19.9
55.05518	21.2
57.03428	11.3
57.07071	7.0
61.02920	7.3
65.03948	2.7
67.05515	36.1
68.05856	3.7
68.99794	6.2
69.03085	3.5
69.03433	43.7
69.07070	21.3
69.70326	13.1
69.70728	6.9
71.01363	4.6
71.04979	10.7
73.02914	14.2
79.05506	30.8
81.02933	3.3
81.03422	64.7
81.07059	35.0
83.01351	3.5
83.04971	11.9
83.08614	10.8
85.02911	100.0
85.05076	3.2
85.06542	11.5
87.00848	34.8
91.03950	4.4
91.05487	27.0
93.06563	3.6
93.07056	41.3
95.04979	13.8
95.08612	36.8
97.02895	40.1
97.06524	9.1
97.10143	6.9
99.04468	17.4
99.08074	4.4
105.01884	25.4
105.07034	36.1
107.04925	8.9
107.08592	42.5
109.02888	56.1
109.06579	3.6
109.10162	29.7
111.04414	5.2
111.08094	4.8
113.09676	5.1
115.00445	2.8
115.03957	5.4
117.01794	3.8
117.07017	12.1
119.08596	38.7
121.06480	5.1
121.10173	26.3
122.92303	2.9
123.08052	4.7
123.11730	17.3
125.09626	4.3
127.03928	90.0
129.01852	7.0
129.06969	4.3
131.08575	20.3
133.10141	46.2
135.08029	3.6
135.11700	38.8
142.07814	4.3
143.08542	10.1
144.09372	3.4
145.04988	28.2
145.10141	39.6
147.02847	5.4
147.11722	20.3
149.09624	3.7
149.13243	8.0
151.11188	10.3
153.12724	4.1
156.09367	3.7
157.10095	14.3
159.02908	33.7
159.11707	27.2
161.13255	10.4
163.11195	16.9
171.11700	10.2
173.11900	6.0
173.13225	28.6
175.11145	4.8
175.14874	24.5
177.09225	3.3
177.16368	4.6
185.13412	5.0
187.14867	23.0
189.16341	3.4
191.10721	5.5
193.12216	5.9
199.14859	6.5
201.16406	17.6
203.17963	5.4
205.15814	4.0
209.11632	5.1
209.13376	3.3
213.03868	5.2
213.12640	3.5
223.14685	3.8
227.12878	13.9
227.18123	3.6
231.05055	17.1
243.21077	33.3
259.20575	5.8
261.22073	19.0
283.15387	6.1
297.22101	3.9
303.23209	4.2
340.00018	3.1
369.24234	4.7
374.45215	3.6
437.25055	5.8
438.50153	3.4
448.50177	2.9
473.24945	3.4
491.26303	15.3
509.28033	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.8
55.01849	2.9
55.05501	7.4
56.96558	4.1
57.03419	2.6
57.23413	2.2
61.02916	4.3
62.01186	2.5
66.36909	2.4
67.05489	11.0
69.03445	13.8
69.07074	12.4
70.06588	4.3
71.04980	8.4
79.05483	13.8
81.03423	19.8
81.07064	35.7
83.04979	20.0
84.08128	2.2
85.02911	16.2
85.06534	6.0
86.09692	5.3
87.04436	3.3
91.05466	13.5
93.06492	3.5
93.07055	35.9
95.01316	6.0
95.04971	17.0
95.08617	26.7
97.02884	9.0
97.06523	27.2
98.97593	3.7
99.04449	20.7
101.05974	3.9
105.07035	27.8
107.04963	5.2
107.08608	21.3
109.02888	22.7
109.06528	22.6
109.10158	8.8
111.04441	3.0
111.08060	12.9
113.06000	3.8
117.06987	6.6
119.08565	18.1
120.08125	5.1
121.06503	44.9
121.10139	6.1
123.04457	2.9
123.08044	6.5
123.11703	9.6
125.05993	22.7
127.03934	24.9
127.06645	2.4
127.07552	5.7
129.07030	5.8
131.00160	2.6
131.08562	6.0
133.06505	5.9
133.10147	15.2
135.04462	3.7
135.08041	10.5
137.05971	6.4
139.07553	18.1
142.07726	2.3
143.07050	17.8
143.08519	7.3
144.31419	2.5
145.04913	2.9
145.10110	9.3
147.08110	5.4
147.11707	29.0
149.13274	3.7
151.11180	7.4
155.08473	3.0
155.77599	2.9
157.08565	9.7
157.10101	13.7
159.06506	7.5
161.05962	2.8
161.13255	8.2
163.11209	3.4
165.12747	12.5
169.12216	15.3
171.11687	12.1
173.09543	3.0
175.11208	26.9
181.10175	3.2
187.06013	4.8
189.12744	18.9
189.96967	2.7
193.12262	27.2
199.11188	17.2
205.07072	3.1
207.13765	13.5
211.13287	27.5
215.10709	2.7
217.12241	52.6
229.14398	14.0
235.13292	83.1
245.10225	3.8
251.08571	3.1
253.14368	100.0
271.15405	17.5
283.15338	3.7
284.15692	6.6
289.16428	4.3
342.94873	3.2
343.15414	3.1
361.16342	4.7
379.17581	8.6
397.18594	17.8
398.25525	2.6
415.19455	5.3
509.19574	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	508.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73685	0.2
55.05516	0.7
56.05035	0.3
57.03434	0.5
58.06611	0.3
60.08169	5.3
67.05508	2.0
68.05842	0.4
69.07074	0.8
70.06592	0.2
71.07375	2.5
71.15492	0.4
72.08154	0.2
79.05493	0.8
80.05815	0.3
81.07053	1.4
82.07404	0.4
83.08612	0.3
85.06595	0.2
86.09706	29.4
91.05490	0.3
93.07036	1.1
94.07409	0.3
95.08589	1.2
96.08932	0.4
98.98465	3.8
100.88625	0.2
103.84808	0.2
104.10751	2.7
105.07044	0.3
107.08591	0.5
109.10172	0.5
119.08561	0.2
121.10135	0.4
125.00005	20.1
135.11736	0.4
184.07341	100.0
185.81276	0.2
187.31158	0.2
187.38855	0.2
273.84872	0.2
295.05765	0.2
325.27515	0.3
335.25790	0.8
336.26166	4.6
339.28076	0.4
490.33029	0.9
508.34003	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	508.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
53.29163	2.1
55.05276	2.3
55.05516	33.6
57.03428	8.5
57.07066	11.6
60.08158	3.8
61.02909	6.1
63.39319	2.0
66.41578	2.0
67.05179	3.1
67.05505	38.8
68.34241	2.3
69.07070	50.2
70.02877	5.1
70.03264	3.5
71.04967	3.6
71.07378	2.3
71.08623	9.5
75.59698	2.1
79.05498	22.2
79.29684	2.2
81.06589	3.4
81.07055	54.4
83.08622	40.0
85.02886	5.2
85.06528	2.5
85.10166	4.4
86.09710	18.8
93.07043	29.0
95.08601	43.2
97.02892	5.2
97.06546	10.8
97.10170	22.2
98.25125	1.9
98.35194	2.0
98.98470	3.3
99.67387	2.1
101.42434	2.2
107.08597	18.8
109.10155	20.8
111.08071	7.3
111.11719	6.7
121.10144	48.0
123.11692	17.1
125.00058	10.4
125.09631	5.0
135.11700	39.0
137.13252	13.2
139.11133	4.0
149.13252	18.8
153.12689	2.4
163.14790	5.5
177.16371	2.6
184.07347	59.3
215.49237	2.6
219.21063	47.7
219.23065	3.4
237.22137	100.0
255.23183	22.8
311.25821	96.7
329.23114	4.2
329.26840	40.6
329.30402	1.4
336.26221	4.4
468.32739	2.2
475.65598	2.6
508.34979	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	509.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.9
54.14185	1.2
55.01857	5.7
55.05513	11.8
57.03419	5.7
57.07077	2.9
59.04988	1.5
61.02924	1.7
66.81077	1.2
67.05509	16.6
69.03436	12.6
69.07076	11.3
70.47950	1.6
70.48315	4.7
71.04970	4.7
73.02921	2.2
79.05497	15.9
81.03428	20.3
81.06643	1.7
81.07054	16.3
83.04956	4.4
83.08633	6.9
85.02911	22.6
85.06541	3.6
87.00838	6.2
91.05481	13.8
93.07053	20.5
95.04966	11.5
95.08611	13.0
96.69849	1.3
97.02889	9.6
97.06505	4.1
97.10169	4.0
99.04433	2.9
100.11222	2.6
105.01846	4.1
105.07030	12.4
107.04964	6.3
107.08587	13.6
109.02896	14.4
109.06490	5.9
109.10182	9.7
110.10445	1.3
111.04423	2.5
111.08074	2.7
117.06985	5.1
119.08588	14.4
121.06478	3.4
121.10144	8.6
123.08047	4.7
123.11681	3.5
125.09592	6.0
127.03927	18.1
129.06979	4.1
131.08578	8.5
133.06435	1.6
133.10153	14.8
135.08009	3.1
135.11699	10.4
137.05962	2.0
137.13213	1.4
143.08501	3.1
145.04907	5.1
145.10141	11.2
147.08043	1.8
147.11658	6.1
149.09599	3.0
151.11143	3.0
153.12634	1.8
156.13771	3.2
157.10092	2.0
159.02919	6.5
159.11714	6.7
161.09636	2.3
161.13263	2.0
163.11159	5.6
169.10115	1.6
171.11671	1.9
173.04512	1.8
173.09682	1.7
173.13306	8.0
174.14046	1.8
175.14772	4.7
185.13269	2.2
187.14760	4.1
189.11163	2.0
193.12245	3.4
199.13200	1.4
201.16292	4.6
203.18016	2.7
209.11736	2.7
210.14777	2.8
211.13232	2.1
219.13730	2.8
227.12680	3.9
228.45461	1.3
231.04984	2.5
233.15346	1.6
243.21126	10.6
245.06328	2.3
261.18231	2.8
261.22025	3.3
267.15778	1.7
271.03995	1.9
283.15317	3.2
285.21973	1.8
289.05316	10.1
293.17249	1.7
339.04810	1.9
350.23917	1.4
367.22531	5.5
385.23529	5.2
403.24808	2.9
405.22260	1.6
407.02951	1.5
410.00198	1.3
423.23276	4.0
437.25211	1.7
445.07370	1.4
447.23151	5.7
450.69348	1.5
459.27594	7.6
465.18723	2.1
465.24655	30.5
473.24744	1.6
477.15594	3.1
477.28162	3.9
491.22409	38.3
491.28806	1.4
509.23322	100.0
509.40207	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	508.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01860	7.6
55.05510	23.8
56.39732	1.9
57.03442	20.7
57.07095	3.2
61.37465	1.9
62.06076	3.3
65.03933	2.9
67.05507	73.0
69.03421	2.9
69.07069	46.2
69.53926	13.9
70.62801	1.9
71.04987	5.6
79.05494	61.4
81.03420	7.7
81.06590	4.4
81.07059	90.0
82.06591	4.0
83.04996	11.5
83.08636	13.1
85.06532	3.6
91.05487	45.1
93.07046	56.3
95.04970	14.0
95.08610	39.4
97.06521	17.6
97.10156	9.1
98.21416	3.1
98.98465	7.8
99.08080	2.7
105.07031	32.7
107.04951	7.4
107.08588	36.4
108.87105	1.9
109.06516	7.8
109.10152	20.4
111.08091	5.1
115.05452	3.1
117.07030	18.0
119.08581	24.4
121.06493	4.9
121.10153	17.4
123.08069	4.4
123.11691	5.0
125.07548	2.1
125.09629	9.0
129.05545	2.3
129.06985	5.1
131.08560	17.4
133.10144	20.0
135.08052	8.7
135.11690	17.1
137.09625	4.1
142.02614	2.0
143.08566	4.7
145.06488	3.0
145.10132	14.1
147.11732	11.1
149.09633	10.8
149.13271	11.7
157.10112	4.1
159.11674	18.5
161.13245	6.0
163.11189	9.4
165.09135	3.8
169.10117	4.3
170.23352	2.0
171.11711	3.2
173.11821	3.1
173.13284	6.5
175.11163	2.8
177.12791	5.3
179.14288	6.2
181.12341	2.0
193.12276	3.1
195.13791	9.9
197.13374	4.1
208.15399	2.1
216.06361	4.2
220.16978	7.7
225.18645	3.0
227.12604	3.0
229.14323	8.3
238.18086	3.5
239.17970	4.9
251.16541	2.8
255.15939	19.4
257.19046	5.2
269.17468	53.1
270.17120	3.1
275.20114	23.2
294.20462	3.3
318.24408	4.7
321.24219	3.0
331.22650	18.6
336.15875	3.1
341.61716	2.1
349.23734	100.0
367.24808	71.7
374.17270	8.5
378.16724	4.4
392.18390	38.6
472.24878	14.9
490.25467	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	508.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
53.76497	0.4
55.01877	3.2
55.05515	16.6
56.29737	0.3
57.03445	4.0
57.07063	1.0
58.93054	0.3
59.04989	0.7
62.06077	0.7
63.09652	0.3
65.03914	0.6
67.05508	15.9
69.03448	1.9
69.07071	10.5
71.04983	1.4
71.08633	17.4
71.54531	0.5
71.54909	0.6
79.05497	13.0
81.03414	4.9
81.07058	13.7
83.04978	3.1
83.08624	5.5
85.02882	0.6
85.06533	0.7
91.05482	6.6
93.06490	0.5
93.07047	7.9
95.04967	3.6
95.08615	5.3
95.61903	0.4
97.02905	0.6
97.06522	1.6
97.10178	10.2
98.98477	2.9
99.04458	0.5
99.07498	0.6
99.08098	10.4
103.03929	0.5
105.07030	4.5
107.04975	2.4
107.08595	7.8
109.06511	1.8
109.10154	5.9
111.04420	0.6
111.08065	1.2
117.07027	2.5
119.08578	2.2
121.06490	2.3
121.09231	0.3
121.10145	2.3
123.08064	1.6
123.11692	1.0
124.01579	0.4
125.08780	0.4
125.09642	6.2
129.06999	0.4
131.08556	1.7
133.06444	0.4
133.10126	4.7
135.08070	2.4
135.11697	1.6
137.09637	0.6
139.11188	1.1
142.02678	0.6
145.10153	1.2
147.11723	0.9
149.09612	1.0
149.13242	1.7
151.11127	2.3
153.09082	1.0
153.12741	0.5
159.11687	1.1
161.13153	0.3
163.11176	1.0
165.12726	0.6
167.10683	1.6
173.02135	0.5
173.11713	0.7
177.12822	2.1
183.10146	0.5
184.07332	1.3
189.11214	2.6
193.12135	0.9
195.13763	1.0
195.39252	0.4
196.13326	0.5
198.05293	0.8
216.06302	1.2
223.13274	0.4
227.12776	1.6
237.14958	0.4
242.34456	0.4
247.20596	1.0
253.14264	0.7
257.19058	0.5
265.21716	0.7
267.15933	1.5
275.20087	7.0
293.21115	54.9
318.24219	0.9
336.25302	2.4
349.23669	3.4
367.24792	100.0
368.25079	0.5
429.20279	1.7
447.21457	1.4
490.25598	1.2
501.72098	0.4
508.26758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01880	6.6
55.05509	11.3
57.03434	4.5
57.07072	2.3
65.03899	1.9
66.62230	1.3
67.05183	1.7
67.05511	25.8
69.03406	2.0
69.07060	6.3
71.04981	2.9
71.08643	2.6
79.05494	15.7
81.03414	5.5
81.07050	24.5
83.04982	6.1
83.08620	4.3
85.02898	1.5
85.06525	2.7
91.05489	23.5
93.07053	16.2
95.04972	8.0
95.08613	13.0
96.53687	1.2
97.06493	3.7
97.10134	2.2
98.97592	1.9
98.98440	3.1
105.07043	18.3
107.04934	5.6
107.08602	13.4
109.06487	4.0
109.10169	17.2
111.04450	2.4
111.08114	1.8
113.05988	1.9
117.07005	2.8
119.08588	5.9
121.06477	2.4
121.10114	4.6
123.08096	2.9
123.11694	4.2
125.09646	6.9
131.08522	4.6
131.09427	1.2
133.10135	25.5
135.11674	3.2
137.09605	4.1
145.10167	3.6
147.11705	3.5
149.09549	3.2
151.11163	15.0
155.08627	1.5
159.11707	1.7
161.09621	1.3
163.11197	3.1
165.09100	1.7
169.12285	2.3
177.12718	2.8
179.10704	1.7
179.14136	1.2
181.12115	1.3
183.10216	1.3
184.07303	1.9
199.13284	1.9
216.06329	1.8
233.22868	1.3
247.20518	1.7
253.14326	6.2
267.15903	1.5
275.20099	10.1
293.21109	4.7
335.25806	3.7
349.23730	9.3
367.24789	100.0
409.41187	1.3
418.65430	1.4
503.66589	1.6
508.27203	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	508.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73536	0.4
55.85340	0.4
56.96576	0.5
59.79580	0.4
69.03449	0.7
70.06555	0.5
70.36205	1.0
79.05497	0.9
85.02921	1.6
91.05452	0.5
93.07050	1.1
97.02889	0.6
98.97546	0.5
103.05467	6.1
107.04982	1.9
112.09620	0.4
116.94433	0.5
116.98632	0.4
120.08115	100.0
121.08450	1.4
130.04980	0.5
131.04970	2.5
148.66061	0.4
149.06017	1.2
163.03922	1.1
166.08649	55.0
189.42889	0.4
207.13998	0.6
258.74130	0.4
400.29959	0.4
400.86633	0.5
445.13718	0.4
518.58020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.6
55.01860	4.4
55.05508	5.4
56.05025	1.2
57.03431	3.2
57.07080	2.8
58.49754	1.1
59.04988	1.3
61.02924	1.9
62.89933	1.0
65.03962	1.1
66.97070	1.1
67.05517	6.5
68.94071	1.1
69.00526	1.1
69.03437	12.3
69.07066	7.3
69.31297	6.3
69.31711	3.4
70.06595	2.8
71.05003	3.3
72.08157	4.6
73.02901	2.2
77.03927	1.4
79.05493	9.7
81.03418	38.6
81.07062	12.2
83.05010	6.5
83.08631	5.5
84.08137	2.2
85.02901	25.1
85.06555	3.8
86.09714	4.5
87.00822	9.3
87.04509	2.4
91.05476	14.5
93.07046	17.3
95.04967	29.9
95.08611	18.4
97.02889	10.4
97.06536	5.6
98.97584	1.6
99.04449	4.8
103.05508	1.4
105.01875	8.8
105.07036	31.6
105.07697	2.4
107.08599	24.7
109.02888	7.3
109.06535	7.8
109.10154	6.3
111.08079	4.3
112.94041	1.1
113.06027	4.9
115.03952	3.1
116.06298	1.2
117.01808	1.4
117.07039	4.5
119.07713	1.5
119.08583	23.3
120.08127	6.0
121.06519	6.1
121.10148	27.8
123.08066	6.2
123.11724	4.3
125.06004	2.7
125.09646	4.3
125.34041	1.2
127.03921	14.6
129.07008	2.2
131.08566	30.7
133.06496	3.0
133.10127	11.0
135.11716	4.2
136.07614	6.3
137.05960	2.6
137.09634	4.3
139.07613	1.6
139.11182	1.7
139.82707	1.0
143.01497	1.1
143.08604	2.7
145.05003	4.5
145.10191	6.6
147.08054	2.7
147.11693	26.0
149.09613	22.0
149.13289	1.6
151.07541	12.5
151.11156	1.7
155.10693	2.0
156.09380	3.9
159.02919	4.2
159.11705	9.4
161.09700	1.5
161.13249	11.6
163.11191	8.0
165.12764	21.5
167.10696	2.4
169.08647	9.2
171.10220	2.4
171.11710	6.9
177.12714	9.3
179.14241	1.9
181.12245	1.4
189.12753	18.8
193.04962	2.3
195.13821	4.9
207.13806	100.0
225.14851	48.8
231.05017	3.2
243.15950	22.1
245.13075	1.2
254.62289	1.1
267.63116	1.1
296.12140	1.4
455.19330	1.8
508.15860	1.4
508.23370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03935	0.9
55.01865	0.6
55.05510	3.2
58.06592	0.7
65.83660	0.4
67.05181	0.6
67.05511	9.3
69.03423	2.0
69.07071	4.1
70.18568	1.5
71.04975	1.0
79.05499	4.2
81.03402	1.0
81.07056	15.8
83.04977	1.8
83.08617	1.8
85.02904	0.6
85.06538	1.1
91.05479	4.8
93.07053	8.8
95.04960	1.2
95.08611	14.0
96.60028	0.5
96.87689	0.5
97.06505	1.5
97.10140	1.5
99.04507	0.5
101.06012	2.1
105.07032	4.7
107.08595	6.6
109.06541	0.7
109.10162	17.0
111.08062	1.5
111.11730	1.1
113.09589	0.7
117.07036	0.6
119.08591	5.4
121.10133	6.5
122.07272	1.5
123.08083	1.3
123.11720	5.6
125.05984	0.9
129.06987	0.8
129.72148	0.5
131.08574	1.6
133.10130	3.8
135.08044	2.0
135.11725	2.9
137.09612	12.5
139.07584	0.9
139.11189	2.1
143.08530	1.0
144.09422	0.6
145.10120	2.2
147.11710	3.0
149.09625	9.4
149.13290	1.9
151.07576	1.0
151.11182	1.7
155.10701	1.4
157.08606	1.5
157.10103	1.3
157.12189	0.6
159.11702	2.4
160.08859	0.7
161.09601	1.5
161.13248	1.6
163.07588	0.6
163.11186	2.1
165.09120	100.0
167.10678	0.7
171.11729	0.8
172.08792	0.6
173.09648	1.4
173.11816	0.7
173.13263	1.0
174.10458	0.6
175.07523	1.0
175.11215	2.7
175.14752	0.8
176.08258	0.7
177.09106	4.5
177.12831	0.8
179.10674	3.5
185.11754	1.6
187.11220	2.2
187.13260	0.8
189.09146	3.0
189.12801	1.5
190.09901	1.5
191.10625	4.7
199.11191	1.5
201.11125	0.8
201.12828	1.2
202.10010	0.6
203.10672	6.9
205.12251	15.6
207.10109	1.8
207.13850	1.2
207.17473	0.6
215.10820	0.7
217.12225	1.7
219.13847	1.3
221.11717	1.5
223.46300	0.6
227.14290	1.1
229.12245	1.5
231.13876	1.4
235.13362	2.8
237.18698	0.6
243.13837	1.6
245.15392	2.1
253.18048	0.8
269.19037	0.7
273.22223	0.6
287.20041	3.7
293.21182	0.8
305.08582	0.5
319.22906	0.7
337.23636	0.6
352.25671	1.3
425.30609	2.5
443.31461	1.9
453.30014	0.8
471.31293	3.2
489.32233	2.5
520.90680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01887	0.3
55.05501	1.1
57.03424	0.3
57.07072	0.5
65.03920	0.4
65.10515	0.2
66.27329	0.3
67.05186	0.3
67.05504	4.6
69.03425	1.1
69.07056	0.9
69.33855	1.9
69.82000	0.3
70.06582	0.3
71.04971	0.7
79.05505	1.6
81.03413	0.7
81.07056	4.4
83.04973	1.1
83.08603	0.6
85.02885	1.1
85.06525	0.6
86.09674	0.3
91.05472	1.3
93.07046	2.1
95.04961	0.8
95.08606	4.3
97.02862	0.7
97.06525	1.4
98.97568	0.4
105.07029	1.2
107.04950	0.5
107.08604	1.7
109.02866	0.6
109.06518	0.5
109.10162	6.4
111.08045	0.6
117.07059	0.3
119.07820	0.3
119.08597	3.9
120.08115	0.3
121.10149	1.3
122.07291	1.8
123.08099	0.4
123.11705	2.9
123.64841	0.3
127.03924	0.6
127.11237	0.2
129.05673	0.3
129.07005	0.6
129.09134	0.5
131.08549	0.8
133.10091	1.3
135.07982	0.3
135.11697	0.7
137.09619	12.3
137.13274	0.3
145.10144	1.0
147.08022	0.4
147.11671	0.5
149.09625	0.7
149.13191	0.3
155.10648	0.4
157.08627	0.7
157.10115	0.5
159.11746	0.8
161.13283	0.4
163.03879	0.9
163.11214	0.5
163.14838	0.4
165.09113	100.0
166.09384	0.7
170.10873	0.3
171.11629	0.3
173.02432	0.3
173.13246	0.7
177.09138	0.3
177.12903	0.3
179.10680	0.3
183.10159	0.3
185.13269	0.5
187.14862	0.4
191.10690	0.4
191.54832	0.3
199.14856	0.5
201.11237	0.4
203.10715	0.9
203.17941	0.9
205.12210	3.8
215.07030	0.5
221.18941	0.6
223.13252	0.7
241.19571	0.6
249.18654	0.3
259.09692	1.3
267.15958	0.5
267.19656	0.6
287.19986	0.3
291.23163	0.7
325.23679	0.4
337.23636	1.0
355.24866	0.5
383.22174	0.3
443.31506	0.8
456.25793	0.3
471.31021	0.7
489.32108	0.7
507.13431	0.3
507.22012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01877	0.5
55.05506	1.6
56.96576	0.3
57.03428	0.4
57.07072	0.6
61.02925	0.4
63.20013	0.2
65.03960	0.3
67.05505	4.6
69.03423	1.6
69.07064	1.2
69.31348	0.9
69.31760	1.3
71.04976	0.7
79.05500	1.6
81.03425	1.4
81.07055	4.4
82.14449	0.2
83.04971	0.8
83.08601	0.5
85.02905	1.7
85.06535	0.8
86.09723	0.3
87.00828	0.8
91.05476	1.6
91.70319	0.2
93.07042	2.4
95.04955	0.7
95.08612	4.2
97.02877	0.9
97.06527	1.1
97.10134	0.3
98.97572	0.4
99.04456	0.6
100.82759	0.3
101.06042	0.3
103.65349	0.2
105.01836	0.4
105.07056	1.6
107.04966	0.6
107.08620	1.7
109.02865	1.2
109.06514	0.8
109.10163	6.5
111.08083	0.4
113.09611	0.3
117.07004	0.8
119.08585	4.3
121.10145	1.3
122.01590	0.3
122.07287	1.6
123.08073	0.4
123.11714	2.7
125.09647	0.5
127.03951	1.4
129.06950	0.4
129.09187	0.4
129.10313	0.2
131.08582	0.7
133.10094	1.2
135.08012	0.4
135.11688	0.6
137.09615	12.2
139.07545	0.7
139.11131	0.4
143.01985	0.3
143.08591	0.6
145.04922	0.3
145.10152	1.4
147.11656	0.7
149.09627	0.9
149.13298	0.4
155.10641	0.3
156.09338	0.3
157.08658	0.8
157.10156	1.0
159.02861	0.3
159.11674	0.8
161.13252	0.4
163.03902	0.6
163.14825	0.5
165.09114	100.0
166.09479	0.7
170.10907	0.3
171.11656	0.8
173.13292	0.5
177.09099	0.4
177.12854	0.4
183.10072	0.3
183.11658	0.3
185.09679	0.3
185.11755	0.3
185.13297	0.7
187.14839	0.4
189.09116	0.4
191.10695	0.4
199.14816	0.5
201.11090	0.5
201.16386	0.5
203.10732	1.3
203.14384	0.3
203.17874	0.5
205.12231	4.2
221.19031	0.6
223.13269	0.5
231.05006	0.3
241.19508	0.7
245.15375	0.3
259.09653	0.7
259.20493	0.5
267.15942	0.3
267.19458	0.3
287.19968	0.3
289.05356	0.4
291.23163	0.7
301.21725	0.3
307.22485	0.4
319.22702	0.5
337.23779	1.2
355.24515	0.4
421.20920	0.6
425.30728	0.4
443.31561	0.9
445.21240	0.3
456.99881	0.3
463.22513	1.0
471.31107	0.5
489.32019	1.1
507.13782	0.5
507.21585	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	507.2206
Annotation	Repandin D
Peak:m/z	Relative Intensity
52.10416	0.4
55.05501	0.8
67.05499	1.2
69.07053	0.7
71.04993	1.0
71.05770	0.8
79.05495	1.4
81.03431	0.5
81.07043	1.6
83.04997	0.9
85.02903	1.5
90.81230	0.4
91.05466	1.2
93.07026	1.3
95.08622	1.0
98.97601	0.7
101.00869	0.4
105.07029	1.2
107.08593	1.2
109.10169	0.7
113.60043	0.4
117.07063	0.6
119.01915	0.9
119.08580	1.2
121.10157	0.6
123.18480	0.4
129.06956	0.7
131.08580	0.8
133.10204	0.7
143.01900	1.1
145.10106	1.3
147.11617	0.4
159.11629	0.8
161.03024	1.0
162.97997	0.4
185.04239	0.7
195.47884	0.4
201.16383	0.4
203.05449	0.5
211.32495	0.4
219.01926	0.4
227.05315	1.0
229.03168	0.4
245.06335	2.3
259.16791	1.6
271.04285	1.5
289.05319	7.2
294.88455	0.4
301.16544	0.9
319.17416	0.5
325.56555	0.4
421.21719	4.3
439.21701	0.8
445.21921	0.6
463.22919	13.7
507.22040	100.0
508.22247	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05520	10.6
57.03450	7.7
65.00671	1.0
65.03932	1.4
67.05508	31.0
69.07066	9.8
70.21683	1.0
70.27027	4.1
71.05000	1.1
72.08169	5.7
73.64532	1.1
75.92390	1.1
79.05492	19.5
81.06593	1.7
81.07061	33.0
83.08613	4.9
85.06505	1.4
86.09727	1.4
91.05483	8.4
93.07043	17.5
95.04956	1.2
95.08611	25.6
97.06519	1.7
98.98470	20.7
105.07032	6.2
107.08595	10.2
109.10152	8.0
117.07055	1.5
119.08578	3.2
121.10166	8.1
123.11703	4.2
127.53216	1.1
131.08574	1.7
133.10153	2.8
135.11690	6.2
145.10083	2.1
147.11682	2.3
149.13274	2.6
155.01070	3.0
159.11728	2.8
161.13219	1.5
170.05742	5.8
173.02077	3.7
184.07341	3.9
261.22144	2.4
283.58005	1.0
318.62830	1.1
335.25809	100.0
336.26193	1.5
338.27850	6.1
347.69067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
57.07074	2.4
60.62432	1.9
60.97725	2.0
67.05503	10.8
67.33385	2.1
69.07045	2.4
69.43442	5.2
69.43846	13.6
71.08646	5.4
77.49252	2.1
79.05482	4.7
81.07048	9.7
83.08621	2.3
93.07027	4.0
95.08610	6.1
96.01871	2.5
105.07047	4.2
107.08651	3.2
109.10140	6.3
119.08553	2.6
146.46745	2.1
153.01582	6.0
185.58153	2.5
207.09859	2.2
207.77632	2.2
209.11493	100.0
220.14290	4.4
249.14639	55.6
265.14096	6.1
336.19357	2.1
507.27328	33.0
507.40390	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	507.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64133	0.5
55.75539	0.5
56.96498	11.6
56.96807	1.4
67.05460	1.2
69.03365	1.5
69.71391	1.7
69.71796	1.0
70.06513	1.7
72.08078	1.7
74.97584	0.5
79.05415	0.7
81.03358	1.0
81.06985	1.2
84.08036	1.5
85.02901	4.6
86.09628	1.3
87.04429	0.7
91.05486	6.1
93.06953	0.8
95.08546	0.8
97.02797	1.5
98.21539	0.5
98.97586	53.0
102.05497	0.6
104.40065	0.7
105.07021	4.3
107.08595	5.9
110.97570	12.6
112.99090	1.1
115.00626	0.8
115.05367	0.6
116.06149	0.9
116.98626	15.9
117.06915	1.9
117.09022	0.6
119.08486	2.0
124.99053	1.0
127.03822	1.4
128.98608	11.7
129.06918	1.5
130.36121	0.5
131.08569	13.0
134.99638	2.7
136.06149	0.9
136.92110	4.2
137.05907	0.5
140.98502	1.7
141.02222	5.7
143.00072	2.2
143.08472	2.3
145.04926	0.6
145.10124	4.6
146.99651	4.5
147.04367	0.7
154.93181	6.6
158.10828	1.7
158.99661	26.5
159.03305	4.4
161.01160	1.4
163.03839	1.2
170.99658	9.0
172.93024	0.8
172.94299	9.9
173.13257	11.8
177.00711	14.1
178.92931	0.6
181.05231	1.3
182.99586	1.2
189.00693	6.2
190.95306	4.2
191.05618	0.6
194.96455	0.7
195.01570	0.7
196.94270	6.0
199.06323	0.7
200.02231	0.6
201.00737	2.9
207.06868	1.5
208.94273	1.3
214.95334	19.4
219.01740	5.4
225.07930	1.5
226.95320	6.0
229.08904	0.7
232.96396	5.1
235.02708	0.8
237.02722	2.8
238.95387	2.5
239.09453	0.6
240.96849	1.8
243.05342	0.9
244.96390	10.6
247.10089	5.7
249.08061	0.9
255.03867	0.9
256.96365	14.9
258.97882	1.7
259.06213	0.7
261.04266	0.7
262.97418	1.6
263.09607	1.3
265.11133	6.3
267.98016	0.6
271.90262	0.5
274.97437	35.4
280.96265	0.6
283.12158	1.5
292.98526	2.4
297.99030	1.5
298.97424	1.8
316.98495	100.0
327.05704	4.8
334.99557	99.9
345.06693	6.9
358.01135	8.3
363.08929	1.6
381.10522	1.1
433.75143	0.7
489.11069	11.6
507.11905	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	506.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05037	0.6
57.03431	0.2
58.06631	0.5
59.07398	0.2
60.08168	5.7
60.65827	0.1
67.05511	0.8
69.07076	0.3
70.06587	0.2
71.07381	2.9
71.53997	0.2
79.05500	0.2
80.02847	0.1
81.07069	0.7
86.09711	30.2
91.05493	0.2
93.07005	0.2
95.08625	0.3
98.98470	3.0
104.10744	2.6
107.08648	0.2
109.10181	0.2
125.00014	19.8
166.02669	0.2
184.07350	100.0
258.11041	0.2
323.26123	0.2
358.16342	0.1
360.16565	0.1
471.41971	0.1
488.31277	1.1
504.89246	0.1
506.32468	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	506.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76384	1.8
53.03943	4.0
55.01876	3.9
55.05522	11.9
57.03425	2.1
64.99274	2.0
65.03957	2.5
67.05508	11.4
69.03432	18.6
69.07071	31.1
69.35423	4.7
69.35837	14.7
70.03751	2.3
71.04994	10.0
73.06546	3.8
79.05488	24.9
81.03417	12.5
81.07058	28.6
83.04990	63.1
83.08497	2.1
85.02912	12.5
86.09722	3.2
91.05489	20.6
93.07054	23.4
95.04972	14.4
95.08616	11.6
95.09126	2.4
97.02898	6.5
97.06535	60.8
98.97589	3.9
99.04440	17.6
99.63001	2.5
105.07040	71.9
106.07352	4.3
107.04953	14.9
107.08598	21.1
109.02908	5.4
109.06538	26.1
109.10158	3.6
111.04456	3.7
111.08127	4.8
115.05427	4.7
115.07526	2.4
117.07046	11.5
119.04939	8.8
119.08582	15.9
121.06504	48.0
121.10168	6.6
123.08059	6.2
125.06002	100.0
127.03948	5.3
128.06221	3.8
129.07028	7.6
130.07800	8.7
131.08563	22.7
133.06512	11.8
133.07335	2.4
133.10149	11.4
134.10483	4.3
135.04408	6.2
135.08047	4.9
135.11671	5.1
137.05992	15.4
139.07507	6.7
141.06931	3.2
142.07864	2.5
143.07040	58.6
143.08488	12.5
144.09338	3.6
145.06485	12.5
145.10129	92.7
146.07272	2.8
147.08069	5.2
147.11699	9.5
149.06041	3.3
151.07559	11.4
154.07791	4.6
155.08563	6.7
157.08606	4.9
157.10138	6.0
158.07286	8.8
159.08073	12.3
159.11693	41.8
161.05989	3.2
161.09616	7.1
161.13235	3.1
163.07574	5.5
163.11195	42.7
164.11583	3.6
169.10141	10.0
171.08051	4.6
171.11726	4.6
172.08853	6.7
173.09633	77.3
177.12807	11.5
179.08565	4.2
179.10658	7.4
180.11021	6.4
181.12219	7.3
182.07272	3.8
184.23184	2.6
185.09734	3.5
187.11191	71.2
189.09050	3.9
189.12801	3.3
191.10687	26.9
197.09644	18.3
201.09155	2.4
203.10780	2.8
205.12253	56.3
209.11734	6.8
213.09102	3.1
215.10677	80.7
221.11687	2.7
223.13219	4.5
227.12720	2.9
233.11737	100.0
243.10188	2.3
251.12791	78.7
259.09839	3.0
263.12766	3.7
269.13867	22.5
275.12778	5.1
279.12418	2.6
281.11627	3.9
289.14474	3.1
317.14111	3.3
327.18073	4.5
341.13751	3.7
344.24265	2.9
356.51941	2.2
359.14871	9.0
377.16043	15.0
395.16913	10.5
413.18060	15.7
506.17462	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	506.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01859	6.0
55.05504	6.1
57.03429	4.1
61.02921	2.7
67.05508	15.8
69.03423	15.6
69.07075	25.8
69.32279	18.4
69.32695	5.3
71.04993	10.7
73.46673	2.5
79.05498	21.1
81.03401	12.1
81.07060	31.4
83.04986	54.8
84.06470	2.8
85.02900	8.0
85.06552	7.1
87.04452	2.9
91.05486	17.4
93.07055	27.6
95.04995	21.4
95.08606	10.4
97.02902	8.4
97.06530	50.9
97.22797	2.4
99.04469	18.7
99.08115	2.6
99.18121	2.6
105.07037	57.7
107.04953	8.4
107.08605	21.9
109.02888	7.2
109.06526	25.8
109.10120	4.0
111.08035	4.6
113.06039	5.8
115.05430	3.7
117.07039	11.2
117.45221	2.4
119.04939	7.5
119.08582	12.8
121.06505	28.4
121.10130	10.9
123.04437	6.3
123.08011	4.3
125.05062	5.1
125.05994	89.3
127.03931	5.8
127.07584	7.6
128.06250	4.0
129.06924	4.0
130.07796	5.6
131.08575	25.9
133.06496	11.0
133.10120	10.3
135.04459	4.6
135.08017	4.3
135.11714	6.9
137.06024	13.5
139.07565	3.6
139.19734	2.4
142.07735	2.8
143.07053	77.6
143.08362	4.7
143.08586	6.6
144.09367	5.0
145.06537	6.2
145.10124	100.0
147.08092	6.5
147.11768	4.3
149.09645	5.7
151.07573	13.3
154.07840	2.9
155.08536	5.6
157.08620	4.3
157.10022	4.3
158.07251	7.6
159.08046	8.7
159.11702	41.8
161.09605	5.8
163.11220	33.8
169.10114	12.9
171.11716	3.9
172.08926	4.4
173.09644	66.7
177.12784	15.8
180.09430	2.8
182.07231	3.2
184.07301	4.1
185.09567	3.4
187.11191	75.6
189.12718	5.2
191.10681	34.3
197.09660	10.1
205.12263	83.4
205.14174	4.9
209.11705	26.8
215.10696	76.3
223.13225	5.4
233.11748	87.2
249.25410	2.7
251.10181	3.4
251.12811	66.2
259.09714	4.5
267.12265	5.6
269.13882	26.3
325.16437	3.7
344.24002	3.1
359.14978	7.7
377.15985	33.8
395.17130	25.7
413.18121	58.0
507.22180	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	506.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73281	0.6
53.03940	2.0
55.01872	3.5
55.05275	1.1
55.05519	15.8
55.69062	0.6
57.03444	5.9
59.04991	0.7
62.06091	1.2
65.03944	0.6
67.05185	1.1
67.05511	15.8
69.03435	6.1
69.07074	20.8
69.35732	4.9
70.65398	0.7
71.04994	7.3
79.05503	16.0
81.03426	8.3
81.07059	15.8
83.04984	7.4
83.08622	7.1
85.02905	7.0
85.06541	1.2
90.46326	0.7
91.05493	8.7
93.07057	10.9
95.04975	5.6
95.08615	6.8
97.02902	5.0
97.06564	3.2
97.10181	10.9
98.98469	3.2
105.07026	6.9
107.04964	3.2
107.08593	8.7
109.06513	2.2
109.10149	6.3
111.04434	2.7
111.08058	1.6
117.07055	4.2
119.08595	5.6
119.09323	1.0
121.06509	1.7
121.10155	3.5
123.04422	0.7
123.08122	3.6
123.11703	1.0
125.09634	7.5
127.07574	1.2
129.05481	1.4
129.06996	1.8
130.07718	0.7
131.08592	3.9
133.10109	1.7
135.08061	1.9
135.11684	1.7
137.05948	0.7
137.09637	1.4
139.42155	0.6
143.08537	1.0
145.10121	2.3
146.12282	0.7
147.08086	2.3
147.11665	1.9
149.09624	0.7
149.13231	1.3
153.09137	1.4
155.08495	0.6
157.10112	2.1
159.11691	1.3
161.09654	1.2
162.05479	0.6
163.11214	1.7
165.09138	1.5
171.11642	0.7
175.11215	1.7
177.12671	0.8
181.01498	0.6
189.11168	3.9
195.13881	1.3
197.13300	0.7
198.05115	0.8
205.12274	1.2
206.81998	0.7
216.06293	1.8
223.13330	10.2
227.12880	1.1
245.05017	0.9
249.14925	1.3
259.01886	0.6
267.15799	1.4
273.18451	6.0
291.19568	37.6
293.19794	0.8
334.23849	1.3
347.22226	5.3
365.23254	100.0
413.23801	1.1
414.24084	0.8
427.18890	1.8
445.20065	1.7
474.48364	0.6
488.24387	1.1
506.11401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
53.73362	0.3
56.05042	0.4
57.03444	0.3
63.02385	0.4
66.21635	0.3
67.05521	0.3
69.03436	0.5
70.06599	0.8
70.46474	0.5
72.08160	0.6
73.02917	0.3
80.05025	0.3
81.07072	0.6
84.04531	0.6
84.08132	1.1
85.02908	1.5
86.09715	2.4
89.03925	3.8
91.05482	3.1
93.07088	0.3
95.04967	0.9
95.08586	0.3
97.02880	0.6
102.12827	0.3
103.05476	0.4
105.07018	0.3
106.04233	0.4
107.08630	0.3
110.35118	0.3
117.03389	13.4
119.04937	2.6
119.08566	0.3
120.08115	0.8
127.03922	0.4
131.08620	0.3
134.03673	0.6
135.04405	0.7
136.05113	0.3
137.06017	0.5
145.02855	45.3
146.98155	0.8
149.05991	5.8
150.34195	0.3
151.07567	4.8
158.83800	0.4
163.03952	0.4
177.05481	100.0
178.05807	0.5
186.05565	0.7
207.73132	0.4
261.15860	0.3
287.05411	1.0
344.14951	18.7
438.59793	0.3
488.21341	0.3
506.21323	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01873	3.3
55.05513	17.3
57.03444	4.7
62.06070	0.8
65.03928	0.7
67.05504	18.0
69.03423	4.5
69.07069	22.3
71.04992	1.1
71.53889	0.9
71.72762	0.8
79.05493	14.6
81.03415	5.2
81.07056	16.7
83.04967	3.0
83.08622	6.1
85.06532	0.8
91.05476	9.3
93.07037	11.1
95.04964	3.9
95.08607	6.4
97.02877	5.1
97.06529	2.4
97.10162	11.0
98.06046	1.5
98.98470	3.1
99.04427	1.0
105.07029	6.9
107.04948	4.3
107.08588	10.8
109.06513	2.2
109.10156	7.9
111.04443	0.8
111.08087	1.3
117.07034	3.5
117.07762	0.6
119.08581	5.3
121.06506	1.9
121.10145	2.4
123.04437	0.7
123.08050	2.4
123.11758	1.4
125.09628	8.6
129.07002	1.4
131.08546	3.9
133.06520	0.7
133.10120	5.4
135.08063	2.4
135.11688	2.2
137.09547	0.9
142.02675	0.8
143.08577	0.9
145.10130	1.9
147.08008	2.3
147.11703	1.5
149.09584	1.3
149.13307	1.4
151.11214	2.1
153.09125	1.2
156.78925	0.6
157.10143	1.7
159.11751	0.9
163.11156	1.1
165.09045	1.0
169.12279	0.7
171.10217	1.5
177.12794	1.4
189.11240	3.5
195.13876	1.1
196.13419	0.9
203.14149	0.7
205.12352	1.5
219.41367	0.7
223.13292	13.9
227.12808	2.3
245.19089	1.3
253.14397	1.6
255.17496	0.8
263.19995	0.9
267.15973	1.2
273.18521	6.5
291.19537	39.3
302.61060	0.6
334.23843	2.2
347.22235	3.9
365.23230	100.0
366.23663	0.9
427.18936	1.1
445.19754	1.7
493.84430	0.7
506.25256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01880	1.9
55.05517	9.9
57.03439	1.5
57.07081	30.4
61.17726	0.9
63.29137	1.1
65.03951	1.0
67.05504	25.5
69.03407	1.7
69.07073	10.2
69.53784	4.4
71.04999	1.9
71.08638	24.2
72.09827	1.0
79.04796	0.9
79.05492	13.4
81.03422	75.2
81.07059	21.1
83.04990	3.4
83.08627	23.9
85.10185	12.8
86.23312	1.0
91.05492	15.8
93.07055	8.8
95.04971	16.4
95.08611	24.1
97.02898	1.5
97.10194	6.1
99.08056	1.4
105.07040	10.5
107.04973	4.6
107.08604	4.0
109.06554	2.2
109.10160	11.7
110.93273	0.9
111.04414	1.1
111.08076	4.8
117.06982	1.1
119.08585	10.3
121.06496	1.9
121.10151	4.8
123.04404	1.3
123.11728	3.4
129.07011	8.6
131.08516	6.5
133.06526	1.8
133.10168	3.2
135.11678	1.3
137.09633	1.9
137.13286	1.3
142.07809	2.9
147.08092	3.7
147.11711	5.6
149.09639	2.7
150.00294	1.0
157.10173	7.5
175.11215	7.4
179.14346	2.7
193.12254	46.1
231.13770	1.6
239.23741	8.6
243.30870	1.0
249.14729	5.1
277.21643	2.6
340.23822	1.1
505.39005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01870	4.5
55.05516	9.9
57.03436	12.4
57.07076	1.8
57.12080	2.0
61.80821	1.5
62.02765	1.8
67.05508	45.7
69.07061	7.9
69.81981	9.9
72.04659	1.8
72.97710	1.7
79.05492	26.7
79.62666	1.8
81.07057	30.4
83.08621	3.7
91.05469	16.4
92.01104	1.7
93.07047	25.6
95.08617	24.2
98.20845	2.3
98.98470	31.9
105.07030	14.2
107.08605	14.4
109.06421	1.6
109.10174	11.5
117.07021	2.6
119.08587	10.1
121.10106	10.0
123.11749	2.8
129.05499	10.6
131.08640	3.8
133.10147	9.4
135.11670	4.9
145.10149	4.0
147.11690	5.4
149.13206	3.3
155.01060	8.2
161.13257	3.6
163.36301	1.7
173.02119	6.2
217.19629	2.5
229.14304	4.6
241.19450	3.8
259.20593	5.0
333.24255	100.0
469.23154	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	505.2646
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05502	7.2
56.96563	2.9
57.07065	2.0
62.73983	2.0
67.05526	10.8
69.03426	7.9
69.07073	9.7
71.90964	1.9
79.05502	2.5
81.07057	11.5
83.04989	4.4
83.08625	5.2
85.02890	6.0
85.06542	3.5
86.26609	2.0
91.05470	2.9
91.65008	1.9
93.07069	4.6
95.08605	21.5
97.02914	3.4
97.06513	2.2
99.08076	2.5
105.07014	4.6
107.08610	12.4
109.06519	5.2
109.10160	55.6
111.08064	4.1
119.08587	25.9
121.10148	7.6
123.08071	7.5
123.11679	4.4
127.03862	2.1
133.10139	14.9
135.10713	4.2
135.11700	67.4
137.09599	9.8
149.13248	6.3
151.11191	5.0
151.14807	7.2
153.12689	2.7
165.16379	3.4
174.73068	2.2
175.14836	32.6
177.05377	2.4
193.14392	1.4
193.15883	51.9
211.16939	100.0
411.06033	2.2
461.19394	5.5
505.22845	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	505.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31142	0.9
70.48541	2.0
89.60709	0.8
91.05466	1.2
103.86686	1.0
107.47999	0.7
115.05434	0.8
117.05733	0.8
118.06553	18.6
122.22974	0.8
130.06548	1.9
132.08104	4.9
135.70567	0.9
142.06528	0.9
143.07280	2.8
144.08092	11.5
146.06020	58.6
159.09193	5.8
163.03911	3.5
170.06032	5.0
187.55205	0.8
188.07076	100.0
189.07399	0.9
205.09735	49.9
263.90454	0.7
294.25452	0.9
439.69009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
53.24495	1.9
53.55742	2.4
55.01875	7.6
55.05518	19.5
55.96923	2.4
57.03447	6.1
57.07076	9.6
58.84583	2.4
59.04982	3.9
61.02925	2.3
63.40830	2.5
63.50537	2.0
65.03932	2.8
67.05511	29.2
68.99812	5.9
69.03437	57.8
69.07050	13.7
69.39649	2.2
71.05000	5.2
71.27375	2.8
79.05505	23.0
81.03422	36.3
81.07056	23.5
83.04983	31.2
83.08637	4.9
85.02911	29.5
85.06552	36.9
87.00838	8.9
91.05486	22.1
91.52094	1.9
93.07053	38.3
95.04980	19.4
95.08614	24.9
97.02895	17.6
97.06532	7.7
99.04482	5.5
99.08118	8.5
105.01805	1.9
105.07024	37.6
105.87666	2.3
107.04966	7.7
107.08604	35.5
107.60281	2.1
109.02887	14.9
109.06529	15.2
109.10162	20.1
110.77665	2.1
111.04440	6.5
111.08072	16.2
113.05975	3.6
115.05476	3.4
117.07034	11.0
119.04961	2.9
119.08587	38.2
121.06515	18.5
121.10149	34.4
122.07311	2.6
123.04450	6.8
123.08048	10.2
123.11719	9.0
125.09639	10.9
127.03915	23.9
127.07581	3.9
128.06247	4.9
129.07033	6.3
130.07805	4.9
131.08574	26.9
133.06505	7.2
133.10156	32.4
135.08076	15.8
135.11713	15.3
137.06024	4.4
137.09622	19.7
139.11214	3.7
141.07005	2.7
142.07791	3.6
143.08604	15.2
144.09303	2.8
145.04994	4.1
145.06467	6.2
145.10132	33.4
146.07268	2.7
147.08070	8.4
147.11697	13.6
149.06030	3.9
149.09634	33.9
149.13258	6.3
151.07605	2.7
151.11191	14.0
153.09125	19.9
154.07698	2.1
155.08577	6.9
156.09346	5.3
157.10121	12.7
158.07228	2.2
158.10936	3.8
159.08052	17.2
159.11691	20.5
160.08894	2.6
160.70528	2.2
161.09648	13.7
161.13266	9.3
163.07520	4.5
163.11185	15.6
163.14801	3.0
165.09146	10.6
165.12839	2.7
167.08566	5.0
167.10661	4.3
168.09370	2.6
169.10173	7.4
171.02979	2.5
171.08162	3.4
171.11685	11.9
172.08894	3.3
172.12372	2.8
173.09627	10.4
173.13269	26.3
175.07620	3.4
175.11249	10.7
175.14848	3.8
177.09105	6.1
177.12784	6.9
179.10696	20.5
181.10123	3.3
182.10907	3.0
183.11742	7.3
185.09625	5.1
185.13312	8.1
187.07631	3.6
187.11215	12.9
187.14870	13.8
189.09100	4.2
189.12761	13.6
191.14342	7.7
194.10936	2.5
195.10091	2.8
195.11772	5.2
197.09778	3.6
197.13274	5.3
199.11160	6.3
199.14803	5.1
201.12749	15.7
203.10640	3.8
203.14276	6.6
205.12144	11.2
207.11867	2.3
207.13800	6.2
209.09731	3.6
209.13318	2.9
211.11234	7.9
211.14914	5.8
213.04013	9.6
213.12793	7.6
215.14377	12.5
217.12198	4.2
217.15926	2.3
219.13904	7.7
227.14430	3.8
229.12296	6.4
229.19504	4.2
231.14003	3.9
233.15408	3.2
239.14383	5.8
239.17989	3.0
240.15335	2.9
241.15858	3.2
255.17262	3.0
257.15436	5.2
257.19009	19.0
269.18988	4.2
271.17215	2.7
273.18478	5.8
275.20087	37.8
277.16074	2.5
281.15250	3.3
285.18530	6.8
287.19922	4.2
293.21127	2.9
297.18454	5.1
299.20090	5.7
303.19601	4.5
315.19724	6.3
325.17996	3.2
327.19479	2.4
329.21310	3.1
347.19955	3.6
359.22205	2.8
365.20987	7.5
383.22183	21.0
401.23325	8.1
419.24646	3.0
461.25531	4.0
469.22357	3.8
483.44952	2.3
487.23355	100.0
505.11801	4.0
505.24448	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35630	0.1
53.03931	0.1
54.48610	0.1
55.05510	0.4
56.05031	0.6
57.03428	0.2
58.06361	0.2
58.06624	0.4
60.08165	6.5
61.02927	0.1
67.05506	1.3
69.03430	0.1
69.07069	0.4
69.73177	0.6
70.06581	0.1
71.07376	3.1
73.02923	0.1
77.28091	0.1
79.05496	0.8
81.03422	0.2
81.07075	1.0
83.08611	0.3
86.09708	30.8
91.05492	0.4
93.07034	0.4
95.08611	0.6
97.10142	0.1
98.20862	0.3
98.21460	0.2
98.98466	3.7
104.10748	2.9
105.07024	0.2
107.08604	0.4
107.13268	0.1
109.06511	0.1
109.10139	0.5
110.28004	0.1
119.08562	0.4
121.10149	0.3
125.00007	21.2
131.08603	0.1
133.10121	0.2
143.01019	0.2
149.13330	0.1
173.11861	0.2
177.69817	0.1
179.14389	0.2
180.91095	0.1
184.07343	100.0
185.07744	0.1
189.65953	0.1
285.10214	0.2
321.24197	0.2
325.53552	0.1
331.26608	0.1
332.26721	0.6
353.53204	0.1
406.30212	0.4
472.18503	0.2
486.19403	0.1
486.29672	1.1
499.41931	0.1
504.30923	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	505.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05495	2.3
56.96558	0.9
57.03445	0.9
57.07071	1.0
61.02916	0.6
65.03944	0.9
67.01846	1.8
67.05515	3.5
68.99799	1.3
69.03417	2.4
69.07057	2.5
70.07405	0.6
71.04976	0.8
71.54496	0.7
73.02921	0.9
78.31635	0.7
79.05489	2.6
81.03407	2.2
81.07060	6.3
82.07361	0.8
83.04984	1.4
83.08615	1.3
85.02903	4.9
85.06538	0.9
86.09669	0.6
87.00820	1.3
91.05492	3.5
93.07055	8.1
94.07365	1.5
95.04986	1.3
95.08608	4.1
96.08932	0.9
97.02905	2.1
97.06518	3.1
97.10176	0.8
99.04453	1.3
103.05491	5.2
105.01884	1.4
105.04536	0.6
105.07042	4.2
107.05005	1.3
107.08592	3.1
108.08924	1.0
109.02879	2.9
109.10155	4.2
110.10461	0.8
111.08103	2.1
117.01810	0.9
117.06995	0.7
119.08601	3.0
120.08906	1.0
121.10134	2.1
122.10460	0.8
123.04430	0.7
123.11707	1.4
125.09664	0.8
127.03946	4.6
129.01805	0.8
131.04938	15.9
133.10123	2.3
135.11684	4.4
136.12021	1.8
137.02315	1.8
137.03299	0.6
145.04965	1.3
145.06522	0.6
147.01369	0.7
147.11716	3.4
148.12050	1.0
151.03888	1.5
153.01843	61.6
159.02859	1.1
159.70354	0.6
161.13258	0.8
171.02902	17.6
173.06023	1.0
203.18005	2.7
204.18303	2.1
212.27611	0.6
215.07071	1.7
221.19220	0.6
222.44569	0.6
225.91621	0.6
229.26880	0.5
234.09689	0.5
257.08109	100.0
348.57150	0.6
405.05490	0.8
433.09518	1.4
461.08463	3.2
487.10040	0.8
505.11447	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	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44791	0.4
53.03939	1.3
55.01899	0.5
55.05279	0.7
55.05517	9.6
57.03198	0.6
57.03445	7.8
57.07060	0.9
62.21333	0.5
65.03925	1.5
67.05508	34.4
69.06731	0.7
69.07075	9.2
69.81358	1.1
69.81772	1.6
70.06587	2.1
71.04977	1.1
71.08642	0.6
71.35447	0.5
72.08159	60.8
79.05496	17.1
81.07061	30.7
83.04961	1.4
83.08614	3.4
85.06551	0.8
91.05489	9.3
93.07051	20.4
95.04956	1.7
95.08613	23.9
97.06535	1.2
97.10159	0.8
98.98476	3.0
99.08089	0.6
105.04523	0.8
105.07040	5.8
107.08607	7.7
109.06509	1.7
109.10165	8.7
111.08067	0.6
117.07017	1.8
119.08584	4.3
121.10149	7.4
122.28725	0.5
123.08057	1.5
123.11712	2.5
131.08580	3.3
133.10176	3.0
135.11703	3.7
145.10139	1.7
147.11667	2.1
149.13231	1.2
157.76550	0.5
159.11720	1.1
161.13246	1.0
170.05786	59.7
173.13350	1.0
179.14249	1.6
180.14662	1.1
187.14919	0.6
189.74826	0.5
205.10945	0.5
244.09424	0.9
261.22272	0.7
331.26294	0.5
332.26730	3.7
333.24261	0.9
335.25809	100.0
336.25974	1.0
338.52286	0.5
350.27496	1.0
406.30389	3.0
504.27893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51706	2.6
53.03945	7.6
55.01864	8.2
55.05515	16.0
56.96568	3.6
57.03434	6.9
57.07070	2.8
61.02923	5.0
65.03941	3.2
67.05505	42.5
68.47198	2.6
69.03432	24.6
69.07066	28.5
69.51417	17.8
71.04986	6.6
73.02914	8.7
79.05496	21.3
81.03421	27.5
81.07064	61.2
83.04984	5.9
83.08639	12.3
85.02906	68.6
87.00834	27.8
90.88742	2.5
90.89365	2.9
91.03902	2.9
91.05477	28.1
93.07049	75.6
93.07638	3.8
94.35828	2.6
95.04975	3.5
95.08610	67.5
95.09184	5.3
97.02882	26.3
97.06538	8.3
97.10149	3.8
98.20790	6.1
99.04446	11.0
101.48892	3.0
105.01864	25.1
105.07030	62.8
107.04925	2.8
107.08595	62.1
109.02884	29.2
109.10158	91.0
111.08105	3.2
111.11717	3.6
117.01886	4.6
117.07028	4.8
119.08579	61.3
121.10142	38.3
123.11736	23.3
126.38956	2.4
126.68629	2.4
127.03925	37.7
131.08600	8.1
133.10146	32.0
135.11688	57.7
137.13168	2.9
145.04964	14.8
145.10120	9.9
147.11687	65.9
149.09610	3.6
149.13284	16.9
159.02913	13.2
159.11752	7.3
161.13258	24.1
163.14819	8.1
175.14883	6.9
186.47902	2.8
201.16364	3.3
203.17957	100.0
205.19553	17.7
214.06216	3.6
216.07391	3.1
221.19031	19.9
229.07431	3.2
231.04979	9.1
249.06033	2.7
311.12839	4.6
311.20175	3.0
312.13113	12.5
381.20129	2.9
481.11575	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	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
54.92579	1.7
55.01872	5.7
55.05515	13.7
56.96583	3.0
59.04995	3.3
65.03927	2.8
67.05508	27.3
69.03422	4.7
69.07064	20.4
69.33009	14.9
79.05495	16.9
79.71108	1.9
81.03417	5.5
81.07060	57.9
83.04973	7.2
83.08632	9.9
85.02922	10.8
85.06542	4.4
87.00844	3.1
91.05479	25.5
93.07047	100.0
95.04993	5.6
95.08611	42.9
97.02914	4.8
97.06559	5.1
97.10154	2.7
98.97581	2.3
99.04499	2.3
101.06036	2.5
102.09126	2.1
105.01874	4.1
105.04527	3.0
105.07032	52.3
107.08602	49.3
109.02852	3.8
109.10162	56.7
111.08088	27.1
112.99174	2.0
114.80009	2.0
119.08590	29.3
121.10154	26.2
123.11712	16.3
125.09614	3.0
127.03922	7.3
131.04958	2.5
131.08557	3.4
133.10144	27.0
135.11703	45.3
137.09543	2.5
137.83119	2.1
139.11105	2.1
145.04945	2.9
145.10147	4.8
147.10539	2.5
147.11700	48.2
149.13287	4.1
153.01826	10.9
159.11700	3.0
161.13312	13.6
163.03920	2.7
163.14818	3.5
165.12784	3.6
170.54788	1.9
171.02962	3.2
175.14828	4.6
202.16716	2.2
203.14272	2.7
203.17960	49.0
219.17647	2.0
221.15236	2.0
221.19035	7.8
250.09691	2.4
257.08105	12.8
259.09778	2.4
267.07874	2.0
285.10031	2.5
468.29465	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	503.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87046	1.4
52.33834	1.5
53.03939	2.0
55.01853	2.3
55.05513	12.4
56.96550	1.7
57.03427	4.5
57.07056	4.8
67.05515	21.7
67.56289	1.3
69.03416	1.9
69.07071	13.5
71.05001	1.7
71.08626	6.1
71.55235	1.8
74.15990	1.5
79.05494	11.4
81.03421	2.0
81.06651	2.0
81.07068	21.0
81.65810	1.5
83.04980	2.4
83.08614	6.8
85.06547	1.8
88.27905	1.4
91.05463	10.2
93.07046	13.3
94.30813	1.3
95.04981	1.9
95.08617	19.0
95.81186	1.5
97.06516	4.3
97.10161	1.8
98.98476	77.5
99.08081	3.4
105.07055	12.4
105.58956	1.8
107.08608	16.4
109.06529	16.3
109.10165	9.9
111.08069	3.9
113.77500	1.3
117.06989	3.3
119.08591	11.9
121.06438	1.8
121.10150	8.0
123.08081	36.9
123.11676	2.1
125.09615	2.1
131.08571	5.1
133.10126	10.8
135.08063	20.9
135.11673	3.2
137.09628	4.5
145.10104	7.0
147.11725	7.8
149.09604	6.3
149.13239	3.0
159.11662	6.1
161.09628	2.8
161.13246	3.3
165.12766	2.5
166.59840	1.3
167.14337	2.1
171.11647	1.8
173.02159	10.7
173.11835	2.3
173.13214	3.7
175.14806	4.7
177.12779	5.6
179.14334	48.1
183.11670	1.4
184.07364	1.4
185.13226	1.4
187.14816	1.6
191.14267	3.5
205.15935	7.9
233.19046	2.4
247.20602	1.9
263.20200	2.1
275.20044	6.1
289.21634	6.4
303.26889	7.7
313.25104	3.5
319.22815	2.0
330.01422	1.4
331.26340	100.0
346.66208	2.2
349.27383	12.9
387.28915	5.2
405.30029	65.5
423.30878	5.2
485.26764	5.0
496.45071	1.8
503.27649	47.4
503.33823	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	503.2491
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
55.05506	1.6
56.96554	2.3
57.03427	2.0
59.24630	1.1
65.59624	1.2
67.05480	2.6
68.23756	1.1
69.03438	9.8
69.07065	2.4
70.06569	1.4
71.04988	1.3
71.54070	1.6
79.05471	2.2
81.03411	2.5
81.07035	4.3
83.04969	2.1
85.02909	11.3
86.09679	1.2
87.04443	1.7
88.65126	1.2
93.07037	2.8
95.04973	2.4
95.08590	3.9
97.02867	4.5
98.97593	2.3
105.06995	3.5
107.08580	9.5
109.02845	2.1
109.06514	2.8
109.10211	1.5
112.99163	1.9
119.08550	2.5
121.06469	1.8
121.10175	7.0
123.08039	4.2
123.11668	2.1
125.09670	2.0
127.03881	3.7
133.10072	3.4
135.08032	2.3
137.05992	2.0
137.09619	7.5
145.04945	2.0
145.10088	1.7
147.11700	2.3
149.09537	3.9
149.13231	4.9
151.11224	9.4
164.66008	1.3
165.11438	1.6
165.12761	28.4
173.13228	1.5
177.18785	1.4
191.14290	11.8
209.15376	100.0
219.01871	1.3
252.09299	1.9
267.08981	4.5
285.10052	6.7
309.10303	2.3
371.20517	2.6
485.16965	2.9
503.18942	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2491
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03928	1.8
55.05515	4.2
56.96577	3.2
57.03452	2.6
59.05000	1.4
61.02928	2.1
67.02457	1.3
67.05498	5.0
68.27061	1.5
69.03425	10.8
69.07076	6.8
70.06606	2.6
71.04993	6.8
71.54243	2.0
72.08141	1.5
72.50054	1.4
73.02920	12.2
77.52890	1.4
79.05500	5.1
80.02295	1.7
81.03422	4.6
81.07066	9.9
83.01112	5.2
83.05009	7.9
83.08651	1.6
84.08156	1.8
85.02905	14.4
86.09704	3.5
91.05479	6.7
93.07059	7.5
95.01128	2.4
95.04978	2.8
95.08614	15.6
96.01868	3.4
97.02898	3.5
97.06560	3.4
98.97597	5.4
99.08112	5.7
103.05483	2.3
105.07048	6.9
107.04954	3.1
107.08604	26.5
109.02876	2.4
109.06536	5.6
109.10164	10.5
110.97585	1.4
111.08029	1.5
112.99158	3.9
115.00681	1.9
116.98599	2.0
117.07047	1.9
119.08616	4.7
121.06498	4.2
121.10159	21.5
123.08089	3.0
123.11695	4.2
125.09642	9.5
127.03928	2.1
127.11253	1.5
131.00195	3.1
131.04919	3.1
131.08600	5.1
133.10155	15.7
135.08072	8.4
135.11691	2.7
137.05995	34.2
137.09625	6.3
139.07544	2.2
139.11201	2.7
145.10117	3.5
147.11728	6.0
149.01253	2.7
149.09653	6.1
149.13268	10.7
151.11191	56.7
153.09164	3.0
156.03920	3.5
157.04755	2.3
161.06044	3.5
163.07552	2.4
163.14861	9.6
165.12787	5.9
173.13309	10.7
175.07521	15.3
184.03450	4.3
185.04308	6.4
185.13493	1.5
187.07556	1.7
188.47792	1.7
191.08685	2.1
191.14323	53.6
197.11792	4.9
199.07556	3.9
201.03716	10.0
203.05342	6.5
203.08493	2.8
207.13799	2.3
209.15385	100.0
219.01831	4.2
219.08012	3.0
219.17374	2.7
220.14177	1.5
231.08083	3.2
233.77501	2.0
251.10757	3.2
259.07864	9.0
267.09128	5.0
274.84244	1.5
279.10068	4.1
285.10043	2.9
287.05521	25.3
288.05792	3.1
291.10165	4.8
293.05524	2.2
294.10406	1.7
311.12668	12.0
323.12753	6.8
331.10132	6.3
337.08191	2.2
345.11902	2.1
359.13184	1.6
371.20645	2.1
377.01645	2.2
401.17923	4.5
441.21024	2.5
471.12726	2.1
485.20346	8.7
503.20761	70.3
503.31711	14.1
527.18109	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2489
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
50.52074	2.9
52.52944	2.1
67.05492	4.5
69.03430	4.9
69.07076	3.0
69.34634	2.3
70.78400	3.8
70.78730	4.1
70.92453	2.1
79.57898	2.2
81.03394	2.6
81.07056	10.6
83.04958	2.3
85.02927	5.0
91.05470	7.1
93.07045	3.7
95.08597	5.3
97.02900	2.5
105.07019	7.7
107.08597	17.9
109.06520	6.7
109.10140	9.3
119.08598	4.1
121.10143	10.7
122.07293	3.2
123.08038	3.6
125.09655	3.8
128.68637	3.0
131.08450	2.4
133.10143	100.0
135.08038	10.2
137.06015	3.3
137.09634	58.3
147.06790	2.4
149.13261	15.9
173.13242	5.4
191.14328	54.6
209.15378	36.9
219.17491	2.7
252.09447	4.2
318.42801	2.6
417.80496	3.3
418.94516	2.6
459.18100	4.9
503.18988	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05508	1.1
57.03450	0.5
64.97102	0.4
67.05499	1.2
69.03404	1.2
69.07054	1.4
70.02956	0.7
70.03343	0.9
71.04980	0.6
73.02921	0.4
79.05475	0.8
79.66861	0.4
81.03144	0.4
81.07047	1.8
83.04970	0.8
84.08149	0.5
84.80841	0.4
85.02905	1.5
85.06523	0.4
86.09705	0.5
87.00787	0.7
90.40705	0.4
91.05469	0.8
93.07043	1.4
95.04951	1.0
95.08614	1.4
97.02913	1.1
97.06514	2.0
98.97589	0.7
99.08125	0.5
105.01806	0.5
105.07026	1.5
106.13835	0.4
107.04947	0.5
107.08566	1.0
109.10121	0.9
119.08584	1.5
121.06559	0.5
121.10165	0.8
123.11758	0.5
125.06023	0.5
127.03751	2.9
130.04988	0.6
131.08563	0.7
135.11671	0.5
137.05951	0.6
145.10120	1.7
147.11711	0.5
159.11708	0.9
163.03961	0.7
163.07568	0.5
163.11179	0.7
173.09625	1.1
187.11197	0.7
201.16376	0.7
205.12315	0.6
215.07089	0.9
216.26302	0.4
219.17436	0.9
227.05186	0.8
233.11693	1.0
245.06322	0.7
255.15610	1.6
259.09647	1.3
270.13824	0.5
271.04205	1.2
289.05377	1.7
311.12793	1.2
313.16232	1.6
329.15839	0.6
331.10144	0.8
355.17392	4.0
371.16507	1.9
373.17068	0.6
399.16180	6.4
417.21002	3.0
439.68884	0.5
441.20950	0.5
459.22034	14.0
503.20956	100.0
504.21317	0.8
513.55170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05498	0.9
56.96553	0.8
57.03428	0.4
60.97070	0.3
64.61932	0.3
67.05491	1.2
69.03423	1.1
69.07066	1.2
71.04983	0.3
71.54375	0.3
79.05497	1.0
81.03451	0.4
81.07039	1.9
83.04968	1.1
83.08600	0.6
85.02917	1.9
86.06025	0.4
86.09718	0.4
91.05460	0.8
93.07042	1.5
95.04968	1.0
95.08604	1.4
97.02879	0.7
97.06558	1.9
98.97589	0.5
99.04459	0.3
105.07036	1.7
107.04957	0.4
107.08590	1.0
109.02868	0.4
109.10164	1.3
111.04409	0.4
119.08575	0.9
121.06525	0.5
121.10153	0.8
123.08049	0.6
125.05997	0.8
127.03716	2.3
130.04962	0.5
130.11809	0.3
131.08554	0.9
131.52200	0.3
133.10123	0.6
135.11719	0.8
137.05989	0.7
143.07155	0.4
143.08495	0.5
145.04964	0.6
145.10133	1.1
147.11656	0.5
149.13275	0.4
151.07590	0.4
159.08043	0.4
159.11702	1.2
161.13281	0.5
163.11127	0.8
173.09645	0.7
173.13280	0.4
187.11247	1.1
191.10649	0.5
201.16443	0.6
205.12225	0.4
214.18074	0.4
215.07031	0.8
215.10661	0.5
219.17465	0.8
227.05251	0.8
233.11755	0.6
237.18623	0.5
245.06335	0.8
251.12819	0.8
255.15654	1.9
259.09805	0.8
271.04236	1.0
282.16492	0.4
289.05243	1.3
311.12762	0.7
313.16260	1.3
329.15762	0.3
331.10123	0.4
331.16107	0.5
347.81064	0.3
349.17133	0.5
355.17258	4.1
371.16653	1.0
373.17023	1.6
375.08871	0.7
395.16879	0.3
399.16159	6.5
413.18454	0.4
417.20996	2.9
459.22000	12.0
503.20947	100.0
504.21469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
61.02924	1.0
69.03419	1.5
70.05918	3.5
79.05489	1.7
81.07047	0.9
85.02914	4.5
86.09697	1.0
91.05472	2.5
94.04172	2.3
95.08646	0.7
97.02873	1.3
103.05453	1.0
105.07021	3.3
107.04916	0.8
109.06523	1.6
110.30383	0.8
115.05457	3.0
117.07028	1.1
119.08577	2.7
122.03646	4.6
125.05998	0.8
128.06247	1.8
129.07036	1.9
132.05698	1.3
133.06462	3.8
137.05983	100.0
147.04404	1.1
147.08018	2.7
149.05925	1.2
157.06458	1.0
159.08061	2.0
161.05986	11.7
172.05165	1.3
175.06062	1.7
175.07558	26.2
179.06918	0.9
181.56593	0.8
184.07352	1.9
185.07712	1.0
186.07704	0.9
187.07536	8.5
190.07770	3.0
191.08537	5.2
199.07544	7.5
202.07803	2.6
203.08514	4.3
208.08894	0.9
217.08522	1.2
218.07283	2.1
219.08080	9.7
220.08887	2.1
231.08022	4.8
232.08868	1.2
236.08257	1.2
247.07495	4.5
248.08342	2.3
251.10674	15.7
259.07553	2.4
260.08173	0.9
262.24539	0.8
263.10684	2.8
264.07727	1.4
276.07861	1.1
277.08701	1.8
279.10181	10.0
280.10873	1.5
291.10242	6.9
292.10757	4.0
296.10410	1.1
311.09171	1.5
311.12793	30.1
323.12729	14.3
341.13419	0.9
347.99231	0.8
478.45682	0.8
487.13840	0.9
503.20755	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1905
Annotation	Tryptoquivaline I
Peak:m/z	Relative Intensity
55.01876	1.2
56.96563	1.4
58.98845	1.0
59.17419	1.0
61.02888	1.1
69.03419	2.3
69.78103	6.4
70.06608	1.8
79.05498	2.1
81.03412	1.7
81.07064	2.1
85.02929	5.3
86.09689	4.2
91.05465	2.8
91.65746	1.1
93.07000	1.8
94.04177	2.0
95.08617	2.3
97.02873	3.0
98.97570	1.7
103.05491	1.1
105.07024	7.4
107.08597	1.8
109.02912	1.5
109.06512	2.0
112.99165	1.3
115.05431	3.5
117.07025	1.2
119.08572	2.8
121.10117	1.2
122.03674	5.3
126.05595	1.1
127.03934	2.0
128.06235	1.3
129.06987	2.6
131.00172	3.0
131.04884	1.9
133.06441	2.7
133.10135	1.5
137.05991	88.6
147.08029	2.3
149.05907	1.2
155.04877	1.6
159.08026	2.7
159.11739	1.3
161.05983	12.4
161.22787	1.1
162.94832	1.0
175.07552	21.0
175.14787	1.3
187.07538	9.3
191.08585	5.9
199.07555	5.0
202.07774	1.8
203.08585	2.7
205.06586	1.1
207.82791	1.1
218.07332	1.8
219.08022	10.6
220.08836	2.6
231.08060	4.9
236.08336	1.3
247.07571	3.0
248.08357	2.7
251.10733	12.2
259.07599	2.3
260.08212	1.7
261.09204	1.6
263.10623	1.3
265.08600	1.4
267.08868	5.9
279.10172	14.5
285.10129	5.7
291.10162	7.2
292.10974	1.1
296.10425	1.6
309.10049	1.5
311.12817	30.6
323.12613	10.9
361.02338	1.3
409.40607	1.2
469.15894	1.2
485.20285	13.3
503.19049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01885	2.4
55.05522	0.6
56.96555	0.8
57.03450	2.7
58.24177	0.4
61.02932	3.8
69.03436	16.8
69.97928	2.2
70.06588	0.9
70.15390	0.5
71.01333	0.6
71.05012	4.9
72.08161	2.2
73.02904	1.6
81.02943	1.1
81.03426	21.0
84.04493	1.5
84.08124	1.4
85.02912	18.6
85.03441	0.7
86.09695	1.9
87.04452	0.6
91.03959	1.1
91.05480	0.6
97.02898	6.9
98.20813	0.6
98.97595	0.7
99.04459	6.5
101.95392	0.5
103.57845	0.5
108.08128	0.5
109.02909	2.3
110.07119	0.7
111.99065	0.4
117.05472	1.1
117.28348	0.4
120.08120	0.6
126.09231	0.5
127.03928	4.3
129.10236	1.2
133.07640	2.9
134.06065	0.6
135.09215	0.8
137.06001	1.7
145.04961	3.1
146.06114	0.5
158.99660	1.0
160.07610	0.5
161.05931	0.8
161.07115	5.9
163.08688	4.7
178.07417	0.7
179.03328	0.8
179.08206	1.4
189.06599	5.0
190.91827	0.5
191.08199	5.2
193.04979	0.8
207.07666	92.2
219.07671	0.7
229.09485	0.6
231.07730	0.7
231.63995	0.5
237.14949	0.6
249.08794	1.6
287.10449	0.7
305.11343	2.3
323.12405	27.8
341.13461	100.0
342.13663	0.7
411.06525	0.5
503.19473	2.1
503.30585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26388	1.9
53.03934	3.6
55.01858	7.4
55.05513	68.1
57.03429	5.8
59.04987	4.1
62.56159	1.8
65.03927	3.1
67.05505	100.0
69.03420	7.8
69.07062	18.6
70.24524	2.2
70.48236	4.0
71.01319	2.6
71.04977	4.0
73.02889	4.3
79.05495	30.3
81.03426	15.4
81.06593	3.7
81.07055	60.2
83.04982	10.0
83.08614	38.3
85.02906	26.4
85.06530	8.1
87.04477	13.7
91.05482	25.7
93.07050	29.1
95.04942	8.1
95.08601	18.4
95.76485	2.2
97.02852	3.5
97.06520	8.9
97.10165	57.8
99.08119	3.2
103.03944	2.6
105.07039	12.6
107.04961	5.8
107.08601	27.3
109.06501	4.3
109.10153	67.8
111.04443	5.1
111.08069	9.2
117.07018	9.0
119.08590	14.8
121.06461	3.1
121.10123	9.2
123.08044	4.5
125.09628	65.7
130.38654	2.5
131.08543	8.6
133.10132	20.4
135.08061	3.0
135.11678	16.8
137.09602	6.3
143.10669	9.3
145.10100	8.0
147.08063	2.1
147.11696	5.7
149.09598	6.4
149.13272	19.6
151.11169	3.9
153.09085	3.5
153.12755	4.7
155.08592	2.3
155.10683	18.9
157.12262	4.3
159.11699	14.9
163.11140	15.5
165.12801	2.6
173.09657	5.0
173.11729	61.0
175.11177	4.0
177.12761	9.5
181.12251	6.4
187.13252	8.9
191.10670	8.1
193.12219	6.4
195.13818	47.0
199.13261	4.2
209.11699	17.9
213.14827	8.9
223.13271	2.6
226.17990	2.5
227.12787	13.9
227.16322	6.4
311.52710	2.4
405.78488	2.2
491.84082	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	502.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01862	7.8
55.05516	54.6
57.03437	6.4
57.07066	1.9
59.04984	5.8
65.03910	3.0
67.05508	100.0
69.03426	4.3
69.07073	19.0
69.48960	4.9
69.49384	9.5
71.01343	2.0
71.04984	5.3
73.02908	5.5
79.05082	2.5
79.05500	36.3
81.03432	18.5
81.06594	3.2
81.07059	59.2
83.04989	15.0
83.08161	2.5
83.08626	31.4
85.02913	22.4
85.06544	5.6
87.04489	9.3
91.05481	23.3
93.07047	33.7
93.38815	2.0
95.04971	7.2
95.08606	22.0
97.02875	4.6
97.06531	8.7
97.10167	41.1
99.08087	2.3
104.23837	1.9
105.07038	11.6
107.04949	5.6
107.08600	25.8
109.06520	4.4
109.10163	68.8
111.08059	5.3
117.07040	10.3
119.08595	14.4
121.06503	3.9
121.10143	11.9
123.08084	3.8
123.11677	3.1
125.09637	49.7
131.08589	13.4
133.10144	18.1
135.08090	2.3
135.11710	14.0
137.09612	4.5
143.10648	8.6
145.10110	8.1
147.11671	6.0
149.09634	3.1
149.13260	16.3
151.11174	4.0
153.12727	6.4
155.08597	2.4
155.10664	17.2
157.10103	2.1
157.12238	3.3
159.11748	13.2
163.11211	17.0
165.12799	1.8
173.09619	3.6
173.11757	62.1
177.12759	7.2
181.12193	4.7
187.13286	25.9
191.10690	7.6
193.12225	8.4
195.13823	44.0
199.13293	4.0
204.15984	3.4
209.11763	15.5
213.14839	6.3
226.17963	3.0
227.12834	10.7
227.16412	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	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01856	2.0
55.05501	3.8
56.90047	1.6
57.03429	1.8
61.02907	1.8
67.05499	7.0
69.03426	7.0
69.07059	5.0
69.32902	7.9
69.33302	4.2
71.04977	3.4
79.05486	9.2
81.02998	1.6
81.03410	8.2
81.07062	18.8
83.04945	2.1
85.02916	19.4
87.00824	7.9
91.05472	10.0
93.07048	24.3
95.04980	3.4
95.08610	19.1
97.02893	8.5
97.06520	4.6
99.04470	4.4
105.01852	7.1
105.07034	18.5
107.08596	27.8
108.08082	1.7
109.02882	8.5
109.06539	2.9
109.10142	14.8
111.08085	2.6
117.01825	2.6
117.07017	7.0
119.08595	23.6
121.10153	15.8
123.11666	1.9
127.03913	13.0
129.07001	2.0
130.07738	2.3
131.08568	16.8
133.10141	8.2
135.08099	1.9
135.11703	8.9
137.09642	2.7
144.09344	2.0
145.04944	5.2
145.10121	32.4
147.11682	9.3
149.13258	2.9
153.96455	1.9
158.11043	1.8
159.02875	3.4
159.11694	29.4
161.13275	6.0
163.11160	3.7
173.13300	19.2
175.14836	6.4
191.17947	4.3
199.14838	1.9
201.16386	100.0
203.17993	5.2
219.17451	57.1
231.05066	4.1
236.20131	4.5
237.18521	3.7
252.70587	1.8
270.64548	1.6
386.74042	1.9
502.26480	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	502.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23440	0.3
55.05514	0.4
56.05033	0.6
58.06613	0.7
58.44837	0.2
59.07375	0.4
60.04784	0.2
60.08167	6.0
66.13898	0.2
67.05499	1.7
69.03426	0.5
69.07065	0.9
70.06593	2.1
71.07381	2.2
71.52525	0.3
72.21418	0.2
79.05488	0.3
81.07062	0.5
84.04515	0.5
84.08160	0.5
84.61749	0.2
85.02904	0.5
86.09709	33.1
91.05482	2.0
93.07030	0.4
95.08613	0.6
97.02935	0.4
97.06551	0.3
98.97594	0.6
98.98457	1.9
104.10744	5.1
105.07037	0.3
107.08585	0.4
109.10163	1.3
110.06017	0.3
115.09452	0.3
120.08087	0.3
121.77801	0.2
125.00011	18.5
127.03939	0.3
145.07568	0.4
152.33092	0.2
154.08658	1.6
170.09625	0.3
172.09702	0.9
172.11191	0.4
173.11726	0.3
183.14948	0.3
184.07347	100.0
184.89900	0.2
199.18114	0.6
209.39250	0.2
212.16406	1.2
215.11807	3.1
221.89658	0.2
227.17673	0.2
229.14357	0.8
229.89226	0.2
243.11365	0.7
258.10791	0.3
287.05252	0.4
322.18469	0.4
323.17477	0.2
328.20163	0.8
328.50140	0.2
334.15018	0.3
340.19467	0.3
389.18115	1.0
394.20117	0.5
412.15381	0.4
412.20963	10.1
484.23087	1.0
502.24188	13.4
503.20773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05031	0.5
57.03432	0.2
58.06621	0.7
59.07384	0.3
60.08166	5.6
65.26254	0.2
67.05503	1.4
69.03444	0.2
69.07083	0.2
70.06612	0.9
71.07377	2.1
71.54078	0.2
72.08143	0.6
81.07052	0.4
83.06110	0.2
83.08630	0.4
84.04504	0.6
84.08154	1.4
85.02891	0.3
86.09709	27.0
91.05482	0.3
93.07080	0.3
95.08611	0.4
98.97546	0.3
98.98479	1.9
102.05534	0.3
104.10752	2.7
109.10182	1.3
116.07091	0.4
119.08581	0.2
125.00011	18.5
129.10228	0.5
145.02892	0.2
145.98811	0.2
173.11737	0.3
184.07347	100.0
185.07764	0.3
185.30206	0.2
197.13029	0.2
201.12347	0.2
229.14378	0.5
243.13490	0.3
261.10004	0.2
261.14651	0.2
394.20059	0.8
412.20981	9.1
484.23047	0.6
502.24246	8.2
502.31503	0.4
503.20944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.8
56.05018	0.5
57.07045	0.3
58.06593	0.6
60.08166	6.4
67.05515	1.7
69.03399	0.5
69.07075	2.3
70.06591	1.9
70.10827	1.0
71.07372	2.4
72.08120	1.2
73.02862	0.2
75.95860	0.2
79.05453	0.3
81.03374	0.9
81.07055	0.6
83.04963	0.5
83.08571	1.1
84.04488	0.6
84.08102	1.0
85.02864	1.0
86.09710	31.1
91.05454	0.5
93.07028	0.5
95.04950	0.7
95.08575	0.3
97.02881	0.5
97.07706	0.2
98.06033	0.4
98.20798	0.3
98.98475	2.2
99.04453	0.5
102.05556	0.4
104.10747	4.1
104.92799	0.2
105.06993	0.4
107.08548	0.6
109.10165	1.4
119.08538	0.4
121.10115	0.3
125.00011	17.8
125.13234	0.3
127.03941	0.4
129.10231	0.7
133.10126	0.3
136.07518	0.4
143.14319	2.2
147.07655	0.3
147.11650	0.3
149.13008	0.3
153.44269	0.3
154.08586	1.0
161.15393	0.6
171.11285	0.3
172.09711	0.6
184.07347	100.0
212.16457	0.5
215.13943	0.3
229.14381	0.4
243.13539	0.5
248.87737	0.4
332.40442	0.3
342.52292	0.3
394.20178	1.0
412.15430	0.5
412.20944	9.8
438.79089	0.3
468.35117	0.3
484.23367	0.8
502.24457	11.5
503.21310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3943
Annotation	(19R,23E)-5beta,19-Epoxy-19,25-dimethoxycucurbita-6,23-dien-3beta-ol
Peak:m/z	Relative Intensity
51.30634	1.2
53.03947	2.1
55.05318	1.2
55.05518	14.5
57.07057	1.8
61.00521	1.1
66.74923	1.3
67.05508	23.3
69.07078	10.9
71.11082	1.4
71.53465	1.8
71.53813	1.7
73.06558	1.6
79.05489	12.4
81.07060	28.0
83.04975	2.1
83.08620	4.3
85.06493	1.7
91.05486	16.4
93.07045	15.0
95.04972	1.8
95.08609	24.0
95.09183	2.2
97.06561	2.7
97.10191	2.6
105.07033	22.2
107.08588	12.6
109.06515	1.5
109.10162	8.8
111.04463	1.5
117.07019	8.7
119.08588	22.9
121.10162	8.7
123.11732	3.0
125.09605	1.8
129.07031	3.6
131.08569	17.3
133.10144	12.8
135.11740	4.7
143.08565	4.2
145.10121	13.4
147.11700	9.7
149.13219	3.0
157.10167	3.4
159.11696	10.0
161.13329	4.4
169.10164	3.3
171.11684	2.9
173.13248	8.2
175.14819	3.6
183.11673	1.5
185.13332	4.0
187.14836	4.3
197.13397	3.2
199.14809	1.7
201.16415	1.9
213.16496	1.5
237.18515	1.7
285.22250	3.6
291.22983	1.7
299.23782	1.9
303.23157	2.8
317.24969	1.6
325.25174	1.5
331.26428	1.8
345.27997	2.2
419.33139	3.7
437.34192	11.6
451.35916	2.6
469.36707	15.7
501.39450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43053	0.2
55.05499	0.2
56.05028	0.4
57.03435	0.3
58.06604	0.4
59.07383	0.3
60.07889	0.4
60.08168	5.3
67.05511	1.3
69.03419	0.3
69.07067	0.3
69.30290	0.6
69.30711	1.0
70.06594	0.6
71.07372	2.7
72.08134	0.2
73.02879	0.2
79.05492	0.3
79.13272	0.2
81.03421	0.5
81.07050	0.5
82.03767	0.2
82.78787	0.2
84.08140	0.2
85.02914	0.2
85.06558	0.2
86.09709	29.8
87.04459	0.2
91.05480	0.5
93.07029	0.3
95.08604	0.3
97.02892	0.3
98.97818	0.3
98.98458	2.2
104.10743	3.4
109.02885	0.2
109.06504	0.2
109.10158	1.3
119.08659	0.2
122.10468	0.2
125.00010	18.9
131.08623	0.2
137.05942	0.2
143.01180	0.2
145.33791	0.2
147.04399	0.2
154.89630	0.2
155.10632	0.3
173.11800	0.2
184.07346	100.0
185.07635	0.3
209.63681	0.2
223.05962	0.4
229.14293	0.5
258.11108	0.3
261.09824	0.5
286.17197	0.3
394.19897	0.9
412.20953	10.1
413.21768	0.2
484.22940	0.9
502.24203	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	501.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
57.03439	45.3
57.07079	0.6
61.02929	10.9
61.61419	0.6
67.05499	1.3
69.07077	3.6
70.19678	1.5
71.08636	0.7
75.04479	2.4
79.05502	1.1
81.07043	1.8
83.08623	2.8
91.05487	0.7
93.07043	1.2
95.04955	0.6
95.08634	1.2
97.06522	0.7
97.10165	1.2
98.98473	24.1
107.08569	1.1
117.05493	100.0
133.10075	0.9
135.11664	0.9
155.01060	12.9
173.02106	4.3
195.00275	8.1
196.00603	1.2
197.02193	3.8
237.22147	0.7
247.05818	3.6
253.04758	6.5
311.25909	4.9
329.26859	41.5
445.23923	0.8
447.24887	1.0
501.27319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10252	1.6
55.05505	3.6
57.03438	50.7
61.02927	14.4
66.58559	1.2
67.05492	4.4
69.07059	5.2
69.90771	6.8
75.04476	1.9
79.05469	3.1
81.03410	1.3
81.07056	4.9
83.08597	3.0
93.07033	3.3
95.08623	3.4
97.06548	1.9
97.10158	2.0
98.97879	2.1
98.98475	29.2
107.08632	2.2
109.10164	1.9
117.05492	100.0
121.10159	2.1
155.01044	16.7
173.02074	6.1
195.00339	9.6
197.02074	3.5
247.05750	4.1
253.04692	8.5
311.25809	4.6
318.95328	1.5
321.05762	1.5
329.26871	42.6
361.09372	1.4
501.27039	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	501.1947
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.05505	1.5
56.96559	0.9
57.03422	1.0
67.05495	1.6
68.73857	0.5
69.03429	2.6
69.07061	1.9
70.06600	1.0
71.04983	1.4
71.53857	0.4
79.05502	2.2
81.03391	1.6
81.07069	2.8
83.04992	0.9
83.08649	0.6
85.02902	3.9
86.09682	1.7
87.00831	1.0
90.31586	0.4
91.05510	2.3
93.06561	0.4
93.07043	2.9
95.04963	1.8
95.08595	1.7
97.02890	1.6
97.06525	1.9
97.10155	0.9
98.97581	1.2
105.01865	0.5
105.07030	3.0
107.08591	2.0
109.02860	0.8
109.10154	1.8
112.99122	0.6
115.05398	0.4
117.07041	0.5
119.01787	0.5
119.08559	1.5
121.06476	0.6
121.10143	1.5
125.09625	1.0
127.03783	2.4
127.11275	0.5
131.00180	0.8
131.08549	1.0
133.06409	0.6
133.10127	1.4
135.11694	0.8
143.08577	0.7
145.10117	1.7
147.11665	0.9
149.09615	0.5
156.03569	0.5
157.10127	1.1
158.99699	0.7
159.11702	0.7
161.09593	0.7
163.03928	1.2
163.54985	0.5
175.11186	0.6
184.07190	0.5
185.04230	1.6
199.14859	0.6
199.18806	0.8
203.05269	2.4
215.06882	0.6
216.86459	0.5
217.15871	0.8
227.05223	2.0
228.05733	0.6
229.03346	0.8
235.16904	1.1
245.06360	14.0
253.14113	8.1
253.17981	0.7
255.06273	0.5
256.36908	0.5
259.09641	0.9
281.13629	1.6
285.83096	0.5
289.05322	12.3
289.08734	1.4
293.05536	0.7
315.09726	0.6
321.24286	0.6
324.11111	1.4
331.10004	0.9
355.04373	1.3
375.09207	0.8
396.12238	0.7
405.13113	2.4
414.13455	0.6
415.19421	7.7
457.20468	19.4
483.28262	0.6
487.27063	0.5
501.19385	100.0
502.19568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1738
Annotation	Sideroxylonal C
Peak:m/z	Relative Intensity
51.46042	0.6
53.03946	0.9
55.05507	1.0
56.96571	1.3
67.05508	1.3
69.03428	1.6
69.07068	0.7
70.06596	1.3
70.50943	0.7
71.53574	1.1
72.08163	1.3
76.83301	0.6
79.05478	1.7
81.03427	1.7
81.07072	2.2
81.99841	0.6
83.05004	1.1
84.08128	0.9
85.02910	3.6
86.09708	2.2
91.05472	1.5
93.07064	1.8
95.04975	0.7
95.08614	1.7
97.02891	1.7
97.06551	1.2
97.07123	0.7
98.97582	1.6
105.07063	2.6
107.08607	2.2
109.02867	0.7
112.99168	1.6
116.98700	0.7
119.08585	2.3
119.93378	0.7
121.10167	1.7
123.11687	0.7
124.22279	0.7
125.12583	0.6
127.03951	1.9
130.05038	0.6
131.00157	1.3
131.08522	0.7
133.10159	1.3
135.11746	0.8
137.05945	0.7
143.08585	1.1
145.04939	0.7
145.10110	1.4
157.10109	1.2
158.99696	0.6
159.11758	1.3
182.66216	0.7
199.14819	2.2
217.12254	0.8
217.15977	1.0
218.56458	0.6
224.08043	0.7
235.16959	2.2
244.10223	0.8
250.01358	0.6
251.08429	0.8
253.17966	1.3
271.08359	0.8
283.08548	1.4
289.08722	1.0
321.11377	1.7
346.04657	0.9
371.97260	0.6
501.17322	100.0
501.22867	5.6
502.17761	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35009	1.1
53.03943	3.1
55.01881	1.7
55.05515	5.1
56.22608	1.0
57.03436	4.3
61.02924	2.7
67.05511	9.5
69.03434	2.7
69.07061	2.4
70.06586	3.9
71.04982	2.3
72.08142	2.2
73.02925	2.1
74.66631	1.1
79.05499	10.2
81.03424	96.2
81.07059	8.1
83.04985	5.4
83.08627	22.3
84.08162	2.2
85.02901	5.0
85.06555	1.4
86.09703	6.8
91.03943	2.0
91.05501	10.1
93.07055	7.2
95.04976	34.4
95.05573	2.6
95.08606	5.3
97.02903	4.8
97.06518	1.9
97.10180	1.3
104.52971	1.2
105.07039	10.2
107.04958	6.3
107.08585	3.5
109.06541	2.9
109.10168	1.5
111.04435	1.7
111.08096	8.7
119.08583	8.8
121.06490	2.5
121.10164	5.7
123.04376	1.9
123.08073	2.0
125.00012	3.6
129.07018	8.6
131.08575	9.4
133.06514	2.3
133.10139	6.0
135.11668	1.5
137.09627	1.7
142.07811	1.6
145.10127	1.4
147.08058	3.9
147.11694	9.7
149.09650	5.8
157.10147	14.3
165.12755	2.5
175.11200	15.2
184.07347	16.3
193.12254	86.1
211.13409	7.0
235.13376	1.9
267.13034	2.3
267.15921	58.4
285.16974	100.0
309.16992	9.2
363.17862	2.8
375.18173	2.2
393.19150	2.2
411.20322	2.7
429.21414	3.5
447.22260	2.2
482.19952	1.4
500.19562	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.3
58.06590	0.4
60.07884	0.4
60.08166	5.7
69.34016	1.7
71.07376	2.2
79.05484	0.3
86.09710	28.8
88.81929	0.2
98.98479	2.6
104.10744	2.4
105.07114	0.3
107.08589	0.2
117.86361	0.2
121.10182	0.2
125.00009	19.1
184.07346	100.0
185.07635	0.4
222.36655	0.2
287.05469	0.2
432.21423	1.2
450.22543	10.6
482.24765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21465	0.4
55.01871	0.7
55.05513	1.5
56.05031	1.8
56.96587	0.4
58.06591	1.2
59.05006	0.6
60.08166	16.0
67.05509	3.1
69.03411	1.1
69.07076	1.4
70.06571	2.3
70.11129	1.7
71.05000	1.2
71.07372	6.0
72.08155	1.2
79.05473	2.1
81.03418	3.4
81.07047	2.6
83.04984	0.7
83.06113	0.4
83.08629	1.8
84.04490	1.7
84.08144	1.4
85.02919	1.4
86.09708	50.6
91.05476	2.9
93.07043	1.9
95.04949	2.6
95.08613	1.7
97.02900	1.0
97.06523	0.5
98.98466	4.1
99.04479	0.5
104.10747	91.9
105.07008	2.3
107.04957	0.8
107.08591	1.5
109.02893	0.5
109.06558	0.5
109.10143	0.6
111.04436	0.7
111.08141	0.5
117.03384	0.9
117.07049	0.9
118.03704	0.7
119.08582	2.1
120.08103	0.9
121.06514	0.7
121.10152	1.7
123.08068	0.5
125.00007	26.1
125.09659	0.5
130.05008	4.6
131.08583	1.1
133.10139	2.0
135.04430	2.2
136.04735	0.8
138.09145	0.7
143.08626	0.7
145.02827	1.6
146.03192	0.6
147.11670	0.7
149.09627	1.2
151.11180	0.8
157.10149	1.4
161.09610	1.0
163.01663	0.6
163.03899	9.7
164.04239	5.4
175.11157	0.9
179.10707	1.1
184.07346	100.0
193.12224	1.5
202.10724	1.5
210.60164	0.5
232.96693	0.4
253.14351	1.1
258.10989	0.9
267.15936	2.4
271.15430	2.1
281.17694	0.6
285.16949	2.1
319.08075	0.9
320.08496	0.9
373.13940	0.5
375.11853	0.6
419.14432	0.5
432.21500	7.3
450.22537	56.2
451.22537	1.0
468.17520	0.8
482.24985	0.8
500.12210	0.6
500.20602	2.3
500.34860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89588	0.8
52.45154	0.7
53.03938	1.3
54.59644	0.6
55.01869	1.5
55.05507	2.5
57.03434	1.2
67.05503	2.3
69.03424	4.1
69.07055	1.0
69.16640	7.8
70.06580	2.1
79.05504	4.0
81.03427	3.8
81.07055	6.0
83.04988	13.3
85.02902	4.6
86.09693	2.0
87.00815	1.7
91.05474	2.6
93.07049	5.0
95.04958	1.3
95.08622	4.0
97.02892	2.0
98.97573	0.9
103.05466	1.0
105.01897	1.0
105.07037	15.4
107.08578	3.2
109.02897	2.2
109.06518	3.6
109.10155	2.8
111.04455	0.7
111.08101	1.2
119.08591	2.6
120.08094	0.9
121.06519	1.1
121.10161	1.3
123.08080	2.7
123.11706	0.7
127.03948	3.5
130.50258	0.7
131.08568	2.6
133.06422	1.8
133.10146	6.0
135.08080	1.0
143.08591	2.1
145.10139	2.7
147.08113	1.0
147.11617	1.0
151.11191	2.0
153.09071	0.8
155.08588	2.5
156.09377	1.2
157.10130	1.9
159.11700	2.1
161.09589	1.0
163.03914	1.0
169.10170	1.8
171.11711	1.4
173.09503	0.8
175.11221	3.3
182.10974	1.9
187.14842	0.9
197.13222	7.7
203.14294	1.9
215.14319	5.7
231.05118	0.8
233.15329	14.8
245.06326	3.7
251.16338	7.7
289.05481	2.9
293.15967	1.2
356.04852	0.8
395.20346	2.0
413.21457	11.2
437.21466	2.6
455.22623	20.8
496.67871	0.8
499.21527	100.0
500.21594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
54.11155	1.8
55.01863	5.6
55.05515	35.5
57.03440	28.3
57.07077	10.2
61.02929	54.7
65.03936	3.1
66.03398	2.0
67.05509	84.7
69.03093	2.7
69.03435	42.3
69.07070	39.2
71.01350	6.8
71.04988	7.1
71.08624	6.1
73.02924	25.9
79.05500	30.3
81.03409	21.0
81.07059	85.9
83.04980	7.6
83.08618	19.6
85.02908	61.0
85.06549	3.4
87.04492	4.1
91.03958	32.0
91.05479	23.8
93.07042	27.3
93.34106	1.9
95.04968	4.6
95.08611	72.0
97.02896	49.6
97.06538	5.0
97.10158	13.7
98.98479	4.6
99.04458	11.4
101.02377	13.3
102.69649	2.0
103.03951	9.3
105.07046	20.7
107.08592	20.5
109.02868	13.6
109.06509	3.0
109.10162	25.9
111.04429	4.6
111.08084	2.5
111.11695	2.1
115.03901	5.3
117.05504	5.0
119.08594	15.4
121.10159	17.4
123.08121	2.6
123.11704	15.0
125.09646	2.6
127.03914	24.6
129.05446	6.9
131.08586	6.2
133.10135	13.7
135.11684	7.7
137.09705	1.9
137.13243	8.7
143.08517	2.6
145.04988	11.6
145.10112	3.2
147.11725	9.5
149.13246	9.1
151.11125	2.8
151.14944	3.4
155.01019	3.5
159.06569	3.5
159.11676	2.7
160.52014	1.9
161.13283	7.3
163.14850	5.9
163.58830	2.2
173.13263	2.3
175.14827	7.6
177.12645	2.7
177.16264	2.3
183.06535	3.7
189.16504	2.0
199.14836	2.0
201.07570	5.6
222.13747	2.3
245.22664	11.7
259.28210	2.0
261.22137	2.5
263.23715	23.0
275.23672	2.2
303.23178	2.4
305.24768	2.5
327.25327	6.9
329.24695	3.1
337.27362	100.0
347.25958	2.9
365.26874	5.9
371.25925	5.8
379.28394	2.6
389.26782	3.7
412.60254	2.1
445.29272	4.0
463.30246	4.5
481.31567	10.0
499.26208	2.6
499.32742	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46304	0.4
54.29752	0.5
55.05502	1.1
61.02908	0.4
61.06252	0.4
67.05511	3.2
68.90642	0.4
69.07047	0.6
70.81007	1.2
79.05483	1.5
81.07062	2.3
81.11203	0.4
90.48648	0.4
93.07035	1.3
95.08595	1.8
98.06034	1.4
105.07069	1.0
107.08549	0.5
109.10146	0.6
115.03703	1.7
119.08545	0.6
120.96609	1.9
124.20699	0.4
133.10146	0.8
145.10010	0.5
150.66425	0.4
156.97478	0.7
174.98587	0.7
176.99182	2.6
182.99071	0.6
194.24084	0.4
195.00308	100.0
286.25018	0.5
304.26355	4.2
326.24493	1.4
332.24240	0.7
335.25778	0.6
344.25494	1.7
380.18277	1.4
405.11606	0.5
424.21140	0.8
437.20609	1.6
442.22046	5.9
455.21741	5.9
498.25888	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	499.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86332	1.1
69.75794	4.6
69.76205	1.9
70.08021	1.1
74.79987	1.0
81.03372	1.3
82.99841	3.8
85.01411	1.7
85.02882	1.1
94.04333	1.4
94.99841	2.2
98.97546	3.9
101.00884	22.1
103.02399	4.3
110.97504	1.2
112.99142	10.4
113.00854	7.6
115.02372	3.4
119.01934	20.3
119.02740	2.5
127.02434	14.7
128.98605	1.4
129.00262	1.6
129.03940	2.0
131.00212	7.8
131.01923	16.3
133.03479	8.2
139.02356	4.8
143.00163	1.4
143.00890	1.4
143.01907	33.6
145.03473	41.3
147.01282	3.1
149.01183	2.6
149.02936	1.3
155.01909	36.3
156.98001	1.3
157.03458	19.1
158.99619	1.9
159.05078	2.6
161.02979	18.6
163.04536	2.7
167.01910	17.1
169.03423	7.6
170.99911	1.4
171.01373	8.2
171.04936	4.0
173.02969	45.4
174.18233	1.1
174.99066	5.0
175.02797	2.2
175.04436	5.5
179.01857	5.2
181.03357	2.4
182.99609	2.2
183.01250	2.1
185.02971	54.5
187.04514	7.3
189.02461	7.4
189.06085	1.2
191.03909	3.4
193.00116	1.9
193.03703	2.7
197.02942	16.6
199.00989	5.4
199.04436	3.4
201.00549	3.1
201.02361	2.7
201.05989	1.8
203.04010	13.7
209.02887	3.4
211.04463	3.7
215.03983	10.1
217.01942	66.5
217.04973	5.6
219.01627	3.6
221.05077	5.2
223.42422	1.3
227.03990	12.2
229.01973	9.8
231.06981	1.2
233.04897	1.6
235.03062	12.8
239.03941	1.7
243.01682	1.7
245.05083	100.0
247.02972	14.6
247.05321	1.8
247.06635	2.6
257.05069	11.1
259.02698	1.3
261.02588	2.6
263.06143	11.6
271.06506	3.3
275.06039	18.0
277.01450	1.5
277.04126	18.3
277.07117	3.1
279.03812	1.4
286.07501	1.3
293.06940	4.8
295.08624	2.1
301.04120	11.3
305.07242	10.2
314.08231	1.3
319.05096	25.2
321.04724	2.7
335.08078	4.2
337.06207	30.9
337.09784	2.0
347.08157	1.5
363.05899	10.6
365.09332	13.3
383.28476	1.2
402.95459	1.2
439.13052	5.4
481.09137	1.4
499.11032	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01869	20.5
55.05510	30.2
55.19951	1.9
56.96571	2.9
57.03439	13.7
59.04992	3.2
61.02916	5.6
65.03897	1.6
67.05508	66.4
67.72057	1.8
69.03423	5.6
69.07069	10.8
70.06590	5.6
71.01360	8.9
71.04993	6.5
73.02924	9.5
77.04092	1.6
79.05072	3.0
79.05499	41.9
81.03423	53.1
81.07064	34.7
83.04984	27.7
83.08625	13.9
84.04485	1.6
85.02915	19.8
85.06552	3.9
86.09703	6.2
91.03959	4.1
91.05491	21.1
93.07049	38.1
94.76574	1.6
95.04990	13.4
95.08616	20.7
97.02893	30.5
97.06519	12.3
97.10193	11.4
98.97615	2.0
99.04480	4.3
105.07036	10.9
107.04961	40.1
107.08600	21.4
109.02881	3.4
109.06514	3.0
109.10159	61.8
111.04436	18.1
111.08067	6.9
113.05940	1.9
117.07021	14.8
119.08595	19.3
120.08082	2.2
120.69872	1.5
121.06491	3.3
121.10139	13.1
122.94159	1.9
123.04459	2.8
123.08073	3.5
125.06029	2.4
125.09660	8.3
127.03859	2.8
129.05481	1.7
129.07010	5.1
130.07805	2.1
131.04913	2.3
131.08562	11.3
133.10146	3.6
135.04356	2.0
135.08089	5.2
135.11703	30.9
137.09630	4.5
145.10123	25.4
147.06551	5.1
147.08032	4.6
148.22890	2.0
149.09637	2.9
153.12743	36.0
155.08635	3.9
155.10663	12.7
163.11192	71.1
173.09660	13.6
173.11745	30.4
181.12234	14.8
184.07344	12.9
191.10674	16.3
209.11697	14.4
227.12723	14.8
229.14345	100.0
283.15430	15.9
301.16586	10.9
313.40552	1.9
324.21805	3.8
348.60315	1.9
442.87524	1.9
445.20599	7.5
498.19043	2.0
498.26727	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	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01880	7.5
55.05311	1.1
55.05520	12.3
56.05021	1.0
57.03441	13.7
61.02926	4.4
65.03934	1.3
65.76435	1.3
67.05511	16.2
69.03436	23.0
69.07076	4.7
70.06598	7.6
70.08163	1.4
70.08494	4.7
71.04993	2.7
72.08162	4.1
73.02917	5.9
79.05505	11.8
81.03419	15.4
81.07071	9.7
82.04203	5.2
83.05001	6.9
83.08624	6.9
84.02122	1.3
84.08171	2.2
85.02914	27.4
85.06603	1.1
85.71318	1.0
86.09713	5.2
87.00843	11.0
87.03995	1.1
87.04475	5.0
91.03989	2.1
91.05489	9.9
93.07060	9.7
95.04981	9.2
95.08630	4.2
97.02906	19.2
97.06001	1.0
97.06551	4.9
97.10178	7.0
98.07329	4.2
98.21427	1.3
98.97610	1.4
99.04457	4.6
99.08131	1.4
105.01879	21.5
105.07050	7.7
107.04975	3.1
107.08596	6.0
108.76268	1.2
109.02912	6.8
109.06535	2.7
109.10152	2.1
111.04440	2.0
111.08102	2.2
115.03947	6.9
116.04709	7.3
117.07027	2.3
119.08598	4.0
121.06522	1.8
121.10165	3.9
123.08084	3.5
125.00008	1.2
125.09648	11.7
127.03920	15.5
128.06354	1.1
129.05495	24.1
129.06963	1.7
131.08580	4.0
133.04987	3.3
133.10149	4.5
134.09698	1.1
137.09644	1.8
143.07062	5.4
145.04980	7.9
145.10146	3.0
147.02986	1.3
147.11681	2.7
149.09669	1.6
150.07632	3.6
153.09132	1.3
157.08615	10.3
157.09940	2.3
159.02953	2.5
163.11227	1.4
171.10187	4.2
173.09552	1.3
174.54359	1.2
175.11179	2.7
181.12517	1.2
184.07397	5.7
189.11211	7.5
189.12714	1.4
193.12256	4.5
199.13402	2.7
200.14131	2.3
209.11752	3.1
210.12541	1.3
213.03931	1.4
227.12802	32.6
229.15501	4.1
231.05046	7.0
249.06128	4.7
251.08746	1.7
267.15997	2.3
283.15469	8.0
285.16891	1.8
286.09354	1.5
294.10678	1.6
296.32870	1.2
301.16489	100.0
322.13004	1.3
327.07062	1.9
345.08249	3.6
368.53888	1.4
463.21945	2.3
480.19434	1.5
498.20081	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	498.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
54.68560	1.5
55.01883	7.7
55.05508	9.0
57.03429	5.1
57.07079	9.3
57.07303	1.7
59.05005	41.1
61.02915	4.1
67.05502	4.4
68.99793	2.7
69.03432	22.3
69.07072	46.6
69.20101	4.0
69.20506	12.2
71.05000	3.6
71.08647	10.4
73.02915	7.1
73.06554	7.4
75.25107	1.3
77.06035	4.0
79.05488	2.5
81.03424	22.5
81.07048	2.8
83.01309	2.0
83.05004	2.0
83.08582	1.6
84.65382	1.4
85.02910	62.6
85.10175	5.8
87.00832	35.5
87.04469	7.0
93.07004	1.8
95.04962	2.4
97.02895	34.3
97.06508	1.7
97.10175	2.9
99.04466	12.3
105.01872	48.7
105.05515	19.9
105.07016	1.8
107.08624	1.6
108.04487	2.3
109.02884	21.4
109.10178	5.8
111.04449	4.1
111.11725	51.6
112.31354	1.6
115.11205	1.5
117.01836	2.1
117.05525	2.1
119.08600	2.4
121.10141	1.6
123.04411	1.8
124.07587	1.8
127.03925	55.9
127.11198	11.7
129.01822	2.4
129.12766	100.0
131.08676	1.7
145.04965	27.3
145.12267	2.4
147.02835	1.5
154.16058	1.5
159.02921	9.5
168.06592	2.3
170.39629	1.5
187.16899	2.1
189.03992	1.6
195.06476	1.6
196.16879	2.6
211.08632	2.7
212.92517	1.8
213.03970	3.2
214.18019	12.4
215.16452	19.1
219.01639	1.4
225.10222	3.5
231.05026	18.8
233.17516	9.6
239.11876	2.4
240.09024	2.0
249.06099	9.8
253.09566	2.1
267.11349	5.5
285.09769	2.0
295.10794	2.8
313.11856	19.9
323.15057	1.9
341.11359	10.5
359.12381	1.8
359.16937	1.8
373.13956	44.2
377.90073	1.5
377.97888	2.2
466.19717	2.8
498.20468	1.8
498.27707	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	498.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53679	1.1
53.03948	8.9
55.01866	5.5
55.05508	8.1
57.03427	5.4
57.07081	9.0
59.05006	30.7
61.02924	5.6
67.05507	10.1
68.99789	2.9
69.03430	32.2
69.07072	30.2
69.39205	7.3
69.39615	2.6
71.04998	6.2
71.08632	4.1
73.02920	7.6
73.06554	11.2
77.06045	2.1
79.05499	3.9
81.03426	25.7
81.07057	14.4
83.04996	1.4
83.08604	2.4
85.02909	87.4
85.06550	2.0
85.10169	2.2
86.06033	1.1
87.00835	45.0
87.04456	8.8
87.08126	1.3
91.03961	2.2
91.05479	4.4
93.07053	6.9
93.52517	1.3
95.04988	2.1
95.08626	3.4
97.02895	51.0
97.06560	5.2
97.10146	1.9
99.04469	14.1
105.01867	65.4
105.02576	3.1
105.05509	18.9
105.07016	1.7
107.08615	2.4
109.02883	31.2
109.06528	1.4
109.10154	2.7
111.11732	40.3
115.03942	2.0
117.01832	2.8
117.05499	1.4
117.07016	2.2
119.08593	2.4
121.06498	1.4
121.10172	2.0
123.11705	5.9
125.02364	1.2
127.03925	71.7
127.11206	8.7
128.11536	2.9
129.01845	2.7
129.12762	100.0
131.08563	2.3
133.10139	4.7
135.11688	1.8
145.04965	35.1
147.02882	2.0
149.13307	1.9
151.11269	1.7
159.02893	12.6
159.11681	5.5
163.03902	2.1
173.02467	1.8
174.05518	1.6
177.12735	8.1
189.03935	1.5
195.06448	1.4
195.13817	2.8
213.03911	6.1
215.16472	3.9
219.01927	1.3
231.05023	29.5
231.15709	1.3
233.17456	3.6
237.14815	1.6
243.15822	6.2
249.06056	11.9
251.16415	2.1
259.09763	3.6
269.17484	29.3
277.10703	2.4
301.20062	4.4
331.12302	1.7
359.16965	3.0
459.84460	1.5
463.20880	1.7
498.20316	8.5
498.27194	5.6
499.20883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22180	1.1
53.03939	1.9
55.01873	7.2
55.05504	3.9
57.03437	14.6
59.05013	7.4
60.36494	1.3
60.83375	1.3
61.02932	13.3
65.51885	1.3
67.05494	6.4
67.55808	1.1
69.03090	2.1
69.03435	28.7
69.07059	4.9
69.74767	5.3
70.06582	5.5
71.01347	4.1
71.04995	10.2
73.02923	79.9
79.05492	6.9
81.03407	4.8
81.07061	30.5
83.04975	3.5
83.08627	1.6
84.08107	1.4
85.02911	57.4
85.06524	1.3
86.09716	2.6
87.04473	8.1
91.03949	2.0
91.05456	2.9
91.47643	1.2
93.07078	7.0
93.07551	1.3
95.04955	4.3
95.08591	3.9
96.04517	1.1
97.02898	39.4
97.03526	2.4
97.06540	9.4
98.21546	1.2
99.04446	2.7
103.03957	2.4
105.07013	2.5
107.04945	1.4
107.08607	15.6
109.02874	4.1
109.06506	3.2
109.10157	19.2
111.04269	1.2
111.08079	2.3
111.11724	1.8
113.06061	1.5
115.03936	22.2
121.06503	1.5
121.10130	2.2
123.08056	1.7
123.11721	19.3
125.09628	1.3
127.03100	1.6
127.03931	15.1
127.11134	1.4
131.08495	2.3
133.04973	27.4
133.10081	3.6
135.11661	1.8
137.06004	1.6
139.11209	7.2
145.04979	22.6
150.07564	1.3
151.11186	32.2
157.12262	7.8
160.84406	1.3
163.03938	3.1
163.06012	6.9
167.07098	1.6
169.12248	77.3
175.07513	3.1
177.05537	1.8
181.26428	1.2
184.07364	2.2
187.13303	100.0
223.06024	2.3
241.07086	4.1
249.09718	1.2
259.08066	4.4
283.15424	4.9
295.10040	1.4
301.16534	1.8
364.11871	1.2
388.51926	1.7
498.19351	2.6
498.25665	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.9
55.01863	8.4
55.05513	27.1
57.03442	34.9
57.07067	9.5
57.73381	2.2
61.02930	73.8
65.03938	5.9
67.05506	88.9
68.24301	2.2
69.03433	41.0
69.07068	19.9
69.26023	20.9
71.01364	5.5
71.04984	11.5
71.08644	3.7
73.02922	37.8
79.05498	61.2
81.03425	31.8
81.07064	100.0
83.04984	9.6
83.08617	12.4
85.02911	74.2
85.06542	5.5
87.04449	5.2
91.03959	37.2
91.05491	50.1
93.07048	85.3
93.07645	4.3
95.04979	15.2
95.08614	67.1
97.02894	54.4
97.06535	8.7
97.10177	4.5
98.21635	2.5
99.04459	8.6
99.08108	2.7
101.02387	10.6
103.03942	10.1
105.07040	46.3
107.04975	6.8
107.08601	49.3
109.02871	7.6
109.06519	7.1
109.10171	28.7
111.04498	4.6
111.08069	4.9
115.03939	6.7
115.05424	2.7
117.07027	20.4
119.08597	30.4
121.06523	5.5
121.10149	34.2
123.08092	4.4
123.11710	11.8
127.03929	21.0
128.06235	3.7
129.05492	6.5
129.06990	13.2
131.04979	2.6
131.08565	37.3
133.06503	6.9
133.10123	27.4
135.08049	4.8
135.11705	23.7
137.13280	4.9
141.07001	6.1
142.07738	2.7
143.08592	14.5
145.04965	6.9
145.06480	4.9
145.10153	25.4
147.08066	7.4
147.11682	14.8
149.09657	7.6
149.13219	11.7
155.08595	3.0
157.06442	3.1
157.10132	11.6
159.07956	3.6
159.11691	15.6
161.09665	2.7
161.13206	12.0
163.11186	4.9
163.14824	9.3
169.06650	2.2
169.10190	6.9
171.07980	3.6
171.11732	10.6
173.09680	3.5
173.13274	19.0
175.11244	3.1
175.14857	6.3
177.12717	7.8
177.16403	4.9
179.08646	3.3
181.10104	2.8
183.11761	3.9
185.13271	8.1
187.11221	4.0
187.14810	8.5
195.11728	3.5
197.13341	4.8
199.11139	3.8
199.14894	7.0
199.98267	2.6
201.16357	3.0
203.14372	3.4
209.13327	3.3
211.14774	5.1
217.15944	2.8
233.15503	2.9
233.22710	3.0
241.15742	2.7
241.19687	3.1
243.21120	14.6
257.22504	2.9
259.20599	5.5
261.22186	28.5
271.20694	2.9
273.22125	5.9
275.23630	4.1
279.23270	5.5
285.22299	5.2
291.23135	3.0
297.22269	3.5
301.21783	3.5
303.23123	20.4
309.22055	4.2
313.21506	3.3
315.23251	9.4
317.24670	7.7
327.23276	7.2
329.24863	3.1
333.24448	5.0
335.25827	52.0
341.24802	6.8
345.24377	4.7
347.25766	4.2
351.23322	11.2
357.24240	4.6
359.25974	3.6
365.26740	3.8
369.20078	3.4
369.24222	17.2
377.26917	11.0
387.25287	11.0
389.27139	5.8
405.26428	4.3
413.26859	4.1
419.28049	14.0
423.21826	2.9
425.26843	6.8
431.27792	15.9
443.27939	54.5
461.29041	27.9
479.30090	27.6
480.27219	3.4
497.31107	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	497.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32736	2.8
53.03955	3.8
55.01869	4.4
55.05509	11.1
56.96557	6.1
57.03441	3.8
66.17626	3.0
67.05506	14.8
69.03442	16.7
69.07062	8.5
69.90156	8.9
69.90547	6.4
70.06581	5.0
71.04992	5.2
79.05497	14.4
81.03425	12.9
81.07068	26.2
83.04977	10.5
83.08620	6.5
84.08150	4.3
85.02909	21.2
85.06520	3.2
86.09707	5.7
87.00817	4.6
91.05464	15.1
93.07053	29.4
95.04955	9.2
95.08610	25.7
97.02879	13.4
97.06548	14.5
98.20826	4.1
98.97591	11.3
99.04433	8.3
100.11259	11.6
101.01437	3.0
105.01881	3.0
105.07040	24.7
105.70818	3.0
107.04960	4.0
107.08585	25.3
109.02863	9.7
109.06522	8.9
109.10155	5.3
111.04442	6.6
111.08105	4.6
116.98619	4.6
117.07021	8.7
119.08564	20.1
121.06506	24.7
121.10130	14.6
123.04399	5.3
123.08114	3.5
125.05974	7.3
127.03938	24.7
127.07490	3.7
129.06990	5.2
131.08595	9.2
133.10144	20.4
135.08052	11.7
135.11647	5.0
137.06012	5.2
139.07561	4.1
143.07022	6.3
143.08514	10.6
145.04964	4.6
145.06479	3.8
145.10107	9.1
147.08040	6.2
147.11717	23.6
149.06020	15.8
149.13226	4.8
151.07581	3.6
153.01813	5.6
153.05492	5.4
156.09290	5.8
157.10153	18.8
158.99800	3.2
159.02924	3.3
159.11609	4.3
161.09605	4.2
161.13289	6.7
163.07597	3.3
165.12825	6.6
171.11700	13.0
173.05988	4.8
173.09605	3.4
175.11156	12.0
177.05499	3.7
185.13251	4.8
187.14775	5.8
189.12747	11.3
191.07104	7.2
191.14407	3.5
193.12234	11.2
199.11166	11.0
207.13666	5.9
209.08173	3.6
210.14975	4.5
213.12836	5.7
213.16399	22.7
215.07117	5.0
217.12282	31.1
219.01784	4.1
231.13766	13.6
231.17438	17.6
235.13326	49.6
249.14853	9.9
249.18542	17.7
253.14395	38.0
259.09750	4.6
259.40213	2.9
273.05969	3.0
301.03317	3.8
302.04102	4.3
303.04959	14.9
435.19846	3.7
453.20862	12.8
496.87671	3.5
497.10614	13.8
497.19791	100.0
497.26779	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	497.1999
Annotation	Trp Glu Tyr
Peak:m/z	Relative Intensity
52.77653	0.3
53.89136	0.3
56.96573	0.5
59.65349	0.3
66.62896	0.3
67.05481	0.4
69.03412	0.5
69.07098	0.5
69.32590	2.3
71.51770	0.3
72.19711	0.4
79.05504	0.5
81.03418	0.4
81.07042	0.7
83.08601	0.4
85.02908	0.8
91.05498	0.6
93.07021	0.5
95.08566	0.6
97.02880	0.5
97.06509	1.0
98.21548	0.5
98.97581	1.1
105.07016	0.6
106.87078	0.3
107.08572	0.7
109.02905	0.5
116.98609	0.4
119.08604	0.5
121.10172	0.3
125.05981	0.4
127.03876	0.7
133.10205	0.5
145.03601	0.3
145.04948	0.5
145.10184	0.4
149.06012	0.5
174.06340	0.3
177.00650	0.4
229.06914	0.6
231.13696	0.5
247.07974	0.8
249.14738	0.3
263.14246	0.3
295.45178	0.3
299.22623	0.4
301.08972	0.8
303.04852	0.3
323.90439	0.3
330.94995	0.3
345.07870	0.6
365.12292	0.7
373.14032	0.3
374.14008	0.5
379.13684	0.3
380.14496	0.9
411.20248	0.5
435.19916	3.3
437.17117	2.4
453.20880	2.7
455.19559	0.5
479.18985	0.7
497.19940	100.0
498.20215	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51852	0.4
63.08792	0.4
63.98638	0.4
69.03439	0.5
70.66061	0.9
70.66402	0.6
80.91163	0.4
81.07050	0.4
98.97560	0.4
118.60666	0.5
119.08618	0.5
178.29309	0.5
195.58014	0.4
231.13567	1.2
245.06265	0.5
249.14720	4.2
253.11993	0.4
277.14069	2.7
289.05298	1.0
307.52692	0.5
330.44208	0.4
367.17154	0.5
393.18863	1.8
409.18341	1.4
411.14728	0.9
411.19949	12.4
435.19888	2.1
437.17651	0.9
453.14343	0.7
453.21017	32.3
497.19977	100.0
498.20432	1.4
512.88171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1995
Annotation	Trp Glu Tyr
Peak:m/z	Relative Intensity
50.21519	0.3
52.03854	0.4
52.66586	0.3
55.05511	0.4
56.96577	0.3
59.74459	0.4
60.21454	0.3
69.03447	0.7
70.06591	2.4
71.05015	1.1
79.05498	0.6
81.07047	1.1
83.04986	0.5
84.08163	0.9
85.02880	0.4
86.09747	0.7
91.05498	0.7
93.07086	1.0
105.07111	0.7
107.08635	1.4
109.10182	0.7
118.06921	1.1
119.62670	0.4
121.10173	0.9
129.10283	1.0
129.43794	0.4
135.08130	0.5
149.13338	0.5
173.13354	0.7
203.05403	0.6
227.05313	1.0
231.13683	0.9
245.06363	2.6
249.14809	1.8
271.04507	1.6
277.14224	0.5
287.03790	0.7
289.05347	8.2
289.08310	0.7
393.19016	0.6
411.19879	5.4
423.12863	0.8
435.20468	1.1
453.20972	11.3
454.21475	0.5
479.19147	1.6
497.20230	100.0
498.20490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06007	0.8
55.01865	1.1
55.05504	1.5
56.96568	1.3
67.05518	3.2
69.03430	3.1
69.07062	1.6
70.06604	1.9
70.79110	2.2
78.97423	0.8
79.05491	2.5
81.03422	9.4
81.07069	4.0
82.03751	1.5
83.04988	1.4
83.08632	1.6
85.02905	6.5
85.06555	1.6
86.09730	1.4
87.00850	1.9
91.05496	3.2
91.11809	0.8
93.07063	3.3
94.07396	0.9
95.04994	2.3
95.08624	3.2
97.02933	2.9
97.06554	1.5
98.97578	7.7
99.04470	1.1
105.01864	1.0
105.07063	3.5
107.08608	3.4
109.02890	2.4
109.10194	2.8
110.97588	1.0
111.04451	1.5
112.22943	0.9
112.99146	2.0
115.02590	0.9
116.98665	3.2
119.08603	5.6
120.08152	1.1
121.06494	0.9
121.10175	2.1
125.00032	1.0
126.29285	0.8
127.03954	4.0
131.00215	2.9
131.08604	2.1
133.06561	1.3
133.10156	6.0
135.08003	1.0
135.11760	1.8
137.09677	1.0
140.23906	0.9
145.05034	1.7
145.10155	2.0
147.11731	3.2
149.13286	1.2
157.10155	1.6
158.99722	3.8
165.84225	1.0
171.11740	1.3
173.01253	2.6
175.14851	5.0
177.00752	2.6
180.16754	1.0
182.15540	1.1
184.07439	3.2
191.02315	1.9
193.12349	3.8
194.12593	4.7
198.14957	1.0
201.00716	1.7
202.98615	1.2
203.05386	1.5
210.14841	1.3
213.16423	2.3
214.98361	0.9
219.01770	1.7
222.70709	0.9
231.13774	3.4
231.17505	2.2
244.99858	3.0
245.06458	1.1
249.14795	8.3
268.16458	2.6
285.17117	3.7
286.17355	7.1
289.05219	2.1
291.12778	2.9
305.02545	1.3
309.13669	1.2
333.13788	1.4
411.20206	9.0
453.21109	23.2
479.18866	1.3
485.17532	1.1
497.19983	100.0
497.27151	10.2
498.19897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1782
Annotation	Steganangin
Peak:m/z	Relative Intensity
55.01886	1.1
56.96562	3.1
67.05517	1.5
68.89336	1.0
69.03446	1.2
69.07063	2.3
69.98304	4.7
71.31914	1.1
81.03432	1.8
81.07051	1.6
84.96056	2.0
85.02893	2.6
87.00831	1.9
91.05457	1.6
93.07053	2.1
95.08607	3.9
98.21504	1.8
98.97587	24.3
103.13543	1.1
105.01865	1.2
105.07039	3.3
107.08577	2.9
109.02906	1.4
109.10170	2.6
112.99136	5.7
116.98647	5.7
119.08604	8.3
119.82063	1.0
121.10136	2.2
127.03946	2.2
131.00198	2.4
133.10143	8.2
135.11693	1.8
145.10172	2.0
147.11682	1.8
157.10170	1.8
158.99667	9.0
171.11717	2.7
173.01239	9.5
175.14856	13.2
177.00729	4.9
184.97621	2.1
191.02315	4.3
201.00723	3.1
202.98679	2.5
213.16367	4.1
219.01846	3.5
231.13771	1.7
231.17484	3.4
240.25200	1.1
244.99695	12.9
249.14635	3.5
258.18604	1.1
259.59299	1.2
263.00708	2.8
286.17276	1.7
291.12616	5.4
305.02621	6.8
309.13882	1.3
323.02496	1.7
325.12314	1.2
333.13803	2.1
411.20560	8.4
435.19553	1.1
453.21112	17.3
497.18790	100.0
498.19138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27073	0.4
53.02927	0.4
55.05521	0.7
57.03430	0.6
67.05474	0.5
69.03423	0.8
70.06590	0.9
70.30951	0.4
71.04975	0.5
71.53547	0.8
81.03411	0.9
81.07056	1.3
85.02899	1.6
86.09699	0.5
93.07054	1.0
95.08619	0.7
95.41007	0.4
97.02888	0.6
98.97600	0.7
100.92467	0.4
105.07003	0.5
107.08566	0.6
109.02898	0.5
109.10161	0.6
109.11748	0.4
112.00417	0.3
119.08545	1.0
121.06618	0.4
123.43893	0.4
127.03928	0.7
133.10092	0.6
158.05949	0.5
206.72571	0.4
227.05249	0.6
231.13690	1.0
231.17422	0.5
249.14685	4.4
252.56339	0.4
277.14145	0.6
289.05365	0.9
321.88297	0.4
393.18756	0.6
411.20026	12.3
430.65414	0.4
435.20035	0.8
453.20987	29.6
454.21039	0.4
479.19745	0.5
497.19943	100.0
498.20593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49343	0.5
53.82074	0.6
58.85991	0.5
67.05505	0.5
69.07057	0.8
70.06582	0.6
70.33400	1.7
74.94099	0.6
79.05497	1.0
81.03388	0.5
81.07053	1.1
83.95215	0.5
85.02903	1.7
86.09711	1.3
86.41205	0.5
91.05502	0.8
93.07026	0.9
95.08604	0.8
97.02922	0.8
98.95610	0.5
105.07037	1.5
107.08612	2.7
109.02888	0.8
119.08604	1.2
121.10130	0.9
127.03884	0.6
135.08063	0.9
135.11688	1.0
147.11725	0.9
173.13251	1.3
184.07349	0.7
192.91583	0.6
203.05325	0.5
231.13681	0.7
244.57115	0.5
245.06352	2.7
249.14557	0.7
271.04276	0.9
287.03809	1.1
289.05328	18.1
300.15161	0.6
386.25491	0.5
393.18811	0.6
411.19925	1.7
423.12653	2.3
453.21207	5.4
479.19049	3.4
497.16440	100.0
498.16403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05510	15.2
57.03423	3.7
58.53626	2.1
59.96597	2.3
67.05503	25.3
69.07066	36.2
70.05477	10.2
71.04995	4.6
73.37267	2.3
75.60055	2.2
79.05496	40.1
81.07063	28.0
82.96768	2.5
83.04971	5.9
85.06561	2.8
89.06016	4.4
91.05474	23.7
93.07047	54.7
95.04981	15.8
95.08608	23.7
96.72695	2.1
97.06530	9.6
97.10181	8.9
104.93422	2.0
105.07037	22.4
107.04957	24.0
107.08587	23.9
109.10156	6.4
111.11703	2.6
115.05466	2.6
117.07001	6.1
119.08592	19.6
121.10152	38.0
123.08100	2.9
129.06973	2.8
131.08562	15.7
133.08621	3.8
133.10133	16.6
135.08061	27.5
135.11653	3.2
139.11188	26.9
145.10156	9.4
147.11674	11.2
149.09644	12.4
151.11230	3.1
157.10133	3.5
159.11707	7.7
161.13269	2.3
171.13806	2.4
173.13298	2.9
177.49425	2.1
181.12183	2.3
187.14839	2.7
201.14801	2.5
207.13695	3.5
217.14346	52.9
219.13771	2.7
247.20651	3.2
251.16455	6.8
257.19110	6.9
275.20087	100.0
283.17599	3.9
307.22681	83.5
463.74295	2.4
497.35852	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	496.3403
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.26777	0.2
55.05501	0.9
56.05023	1.2
57.03425	0.5
57.07078	2.8
58.06581	1.3
59.07385	0.3
60.08166	17.3
62.59820	0.2
67.05489	0.9
67.57431	0.3
69.07072	0.8
70.06588	0.3
70.82835	0.5
71.07379	6.4
71.08639	1.9
73.26999	0.2
79.05518	0.4
81.07053	1.0
83.08636	0.6
85.10179	1.0
86.09710	50.8
88.26958	0.3
91.05451	0.4
95.08630	1.3
97.10180	0.2
98.98471	3.7
103.97133	0.3
104.10749	100.0
109.10190	0.4
113.65663	0.2
121.10083	0.3
122.17075	0.3
125.00010	26.1
131.08577	0.4
163.01620	0.8
166.06310	0.3
184.07347	96.2
240.09979	0.3
258.11008	1.0
313.27325	1.9
351.23331	0.9
401.26791	0.9
415.28680	0.3
419.25323	0.3
433.29449	0.6
478.32959	10.4
496.34006	39.9
497.34384	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	496.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
56.05040	1.5
57.03435	0.6
57.07077	3.1
58.06583	1.3
59.07391	0.3
60.08167	16.9
67.05508	1.4
69.07076	1.1
70.06586	0.4
71.07376	6.4
71.08630	1.9
71.55114	0.3
79.05480	0.9
81.07059	1.7
83.04988	0.2
83.08628	1.1
85.06544	0.3
85.10177	1.0
86.09709	49.0
86.71144	0.2
87.10072	0.2
89.06003	0.2
91.05482	0.7
93.07034	0.9
95.04939	0.2
95.08611	1.7
97.06495	0.2
97.10175	0.6
98.98467	3.6
104.10748	100.0
105.07024	0.5
105.11115	0.2
107.08569	0.5
108.45415	0.2
109.06508	0.2
109.10150	0.7
111.08065	0.2
117.07028	0.5
119.08595	0.7
121.10144	0.4
123.11712	0.3
125.00009	26.9
128.06236	0.2
129.07014	1.1
131.08582	1.1
133.10117	0.5
139.11133	0.2
141.06966	0.2
142.31725	0.2
143.01021	0.2
143.08556	0.6
145.10141	0.3
147.08072	0.2
155.08560	0.6
157.10129	0.3
158.49887	0.1
159.11650	0.3
163.01532	0.7
167.08488	0.3
169.10109	0.3
171.11815	0.3
176.82362	0.1
177.12715	0.2
181.02545	0.3
181.10164	0.3
183.11783	0.4
184.07346	97.4
185.13248	0.2
189.11229	0.2
195.11694	0.2
197.13319	0.2
209.13242	0.3
211.14821	0.2
213.12740	0.2
215.14388	0.2
221.13231	0.4
223.14883	0.5
239.14212	0.1
241.15877	0.2
247.16933	0.4
258.11023	0.9
271.17007	0.2
285.18411	0.3
307.13516	0.2
313.27332	1.7
323.23810	0.2
333.22086	0.6
341.24826	0.2
351.23206	1.8
365.24301	0.3
369.24207	1.0
383.25861	0.6
401.26953	1.6
405.30017	0.2
415.28528	0.6
419.25647	0.2
433.29437	1.7
478.32971	8.6
496.33990	36.3
497.34201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98424	0.1
51.83527	0.1
55.05500	0.1
56.05036	0.4
57.03437	0.2
57.07077	0.8
58.06636	0.5
59.07386	0.2
60.08165	6.1
67.05501	0.2
69.07067	0.2
70.20116	0.4
71.07377	2.4
71.08643	0.5
72.79874	0.1
81.07050	0.3
83.08607	0.2
85.10184	0.3
86.09708	29.2
95.08627	0.3
97.10156	0.1
98.21429	0.1
98.98465	2.5
104.10743	2.9
109.10188	0.2
125.00008	20.3
143.01064	0.2
163.01518	0.1
166.02739	0.2
184.07344	100.0
185.07693	0.2
258.11194	0.1
272.58087	0.1
313.27448	0.2
478.32956	1.1
496.34021	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	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01873	3.6
55.05527	5.7
56.96562	1.4
57.03444	5.5
61.02930	2.5
67.05508	10.8
69.03425	4.1
69.07079	2.6
70.06585	2.3
71.04990	2.6
71.53474	1.4
73.02901	1.2
74.85806	0.9
79.05494	11.0
81.03425	100.0
81.07066	9.7
83.04984	5.2
83.08151	1.7
83.08627	24.1
84.08144	3.3
85.02917	4.7
85.06557	1.6
86.09713	2.5
91.05483	15.7
93.07053	8.9
95.04977	27.9
95.08614	4.2
97.02917	4.4
97.06561	2.4
97.10184	2.2
98.97590	1.8
99.00837	1.6
99.04512	1.6
105.07043	12.3
107.04953	8.7
107.08607	3.2
109.02889	1.9
109.06523	1.7
109.10176	2.3
110.97527	1.2
111.04452	1.8
111.08080	11.7
115.05479	1.9
117.07049	2.5
119.04942	1.7
119.08598	12.2
120.08111	1.0
121.06493	2.5
121.10162	6.1
123.04449	1.8
123.08052	2.2
123.11730	1.3
125.06034	1.1
129.07022	9.5
131.08569	9.1
133.06502	4.2
133.10143	11.5
135.11729	0.9
137.09619	2.5
139.07457	0.9
142.07675	1.3
143.00133	1.1
145.10156	1.0
147.04437	1.7
147.08098	4.3
147.11697	9.5
149.09663	6.1
151.11163	2.0
157.10135	13.1
159.11826	0.9
161.09636	3.3
163.03937	0.9
163.11145	1.8
165.12741	1.5
175.11209	14.1
177.12685	1.0
189.09184	2.5
191.14349	1.2
193.12260	76.9
211.13266	7.3
223.53738	1.2
225.11313	1.3
235.13261	2.4
242.18718	0.9
249.14859	1.2
253.14395	2.9
259.13385	1.2
267.13010	1.9
267.15939	56.1
285.16992	85.3
287.05371	1.0
299.14926	12.0
301.14380	1.5
309.17007	8.8
363.18112	2.7
375.18073	1.3
393.19269	1.2
406.46439	1.1
425.86526	1.2
429.21338	4.4
496.18591	2.0
496.28561	2.4
497.19031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82673	0.5
53.03947	1.2
55.01865	2.0
55.05519	4.4
56.97349	0.5
57.03427	1.3
57.07070	2.3
59.04994	1.9
59.44608	0.5
61.02908	1.1
61.82064	0.6
65.03956	0.5
67.05492	2.0
67.94305	0.5
68.99783	0.6
69.03434	6.0
69.07061	1.7
70.89573	0.4
71.04993	5.3
71.53849	0.7
73.02911	1.6
73.06567	3.2
77.80009	0.5
79.05491	1.4
81.03435	6.3
81.07066	2.8
82.07362	0.9
83.04997	0.8
83.08606	1.5
85.02911	14.3
87.00842	5.9
91.05487	1.3
93.07040	1.7
95.08603	1.9
96.08920	0.9
97.02906	7.7
97.06552	1.4
97.10150	0.7
98.97539	0.7
99.04462	2.6
105.01883	5.4
105.07040	1.5
107.08598	0.7
109.02892	5.2
109.06536	1.2
109.10176	5.1
110.10464	0.5
117.01821	0.6
117.07076	0.6
119.08600	1.3
121.10147	0.6
127.03938	9.3
127.11203	100.0
129.01875	0.8
131.08609	0.5
133.10121	0.7
135.08034	0.5
145.04980	4.3
145.12239	7.6
147.02852	0.6
153.01865	0.7
159.02943	2.6
161.13202	0.6
163.03922	0.9
212.20903	0.7
213.14851	1.5
231.05067	1.8
231.15929	14.4
256.63922	0.5
259.09744	1.4
306.17963	0.7
323.18518	0.5
324.18887	1.9
340.05475	0.7
342.19653	0.8
434.12424	0.5
478.16159	1.5
496.18787	0.7
496.26974	1.1
497.20377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.5
53.03934	2.3
55.01878	6.6
55.05507	10.9
57.03430	7.2
59.04990	2.4
60.09781	2.0
61.02918	3.6
67.05509	21.3
69.03438	12.2
69.07075	6.2
70.06597	12.9
71.05000	18.8
71.53104	2.7
71.72076	2.1
73.02927	3.1
79.05502	14.9
81.03415	10.6
81.07066	32.8
83.04972	5.4
83.08612	9.4
84.08152	3.2
85.02930	21.1
85.06554	3.3
86.09709	10.3
87.00822	3.9
87.04473	3.3
91.05489	23.2
93.07054	38.9
95.04975	5.2
95.08614	18.4
97.02906	12.2
97.06539	9.7
99.00826	12.1
99.04501	3.1
105.01877	4.6
105.07040	18.3
107.04960	6.6
107.08595	15.9
109.02891	13.3
109.06515	4.0
109.10122	5.7
111.08059	6.2
117.07031	10.0
119.08596	9.8
121.06508	9.7
121.10131	4.2
123.11730	3.8
125.09654	3.3
127.03912	12.0
131.08580	13.8
133.10144	39.4
135.08054	6.0
135.11702	34.4
136.06165	5.2
137.05972	2.9
139.07570	4.4
143.08580	4.1
145.05049	5.3
145.06075	2.4
147.11728	4.6
149.13263	7.6
151.11211	11.2
153.09163	4.0
159.11705	28.1
161.09663	16.6
165.12733	3.4
171.08148	2.7
176.79729	2.2
177.12759	53.6
179.10698	8.8
189.09015	5.7
195.13823	79.6
197.11691	3.5
207.10202	3.3
213.14859	82.3
214.34633	2.3
225.11301	11.3
231.15961	18.8
236.22487	3.0
243.12338	2.5
262.22101	2.6
281.13699	4.9
285.16885	3.3
299.14917	100.0
317.15796	2.8
425.26163	2.5
473.01526	2.4
495.88007	2.5
496.18466	8.9
496.25894	7.7
497.19733	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.7
55.01867	3.5
55.05517	19.6
57.03446	11.5
59.04992	1.2
60.70853	0.8
61.50435	0.9
61.90008	0.8
61.90327	1.0
62.72740	0.9
65.03943	2.6
67.05510	33.7
69.03436	5.9
69.07072	8.7
69.16781	4.3
69.17200	4.1
71.05004	7.5
79.05499	29.7
81.03424	74.0
81.07063	37.4
83.04988	15.7
83.08221	0.6
83.08622	27.4
85.02913	34.9
85.06548	2.8
91.05489	42.1
93.07051	22.3
95.04971	29.2
95.08611	15.6
97.02898	4.9
97.06533	7.0
97.10187	5.7
98.20716	1.9
98.97591	1.2
99.08148	1.3
105.07039	28.6
107.04976	6.4
107.08611	11.9
109.06528	5.7
109.10159	5.1
111.04453	3.4
111.08091	11.7
113.06052	2.9
115.05486	2.2
116.06242	0.9
117.07034	2.8
119.08584	25.2
119.09369	1.6
121.06529	3.7
121.10139	11.4
123.08083	3.1
123.11713	4.0
125.05952	0.9
125.09637	2.6
127.03964	1.4
128.06212	1.6
129.07002	12.6
131.08583	12.8
133.06517	2.1
133.10152	13.5
135.08049	1.0
135.11725	1.4
137.09634	2.8
141.06960	1.1
142.07788	3.6
144.79076	0.9
145.10159	2.1
147.08083	3.9
147.11691	19.3
149.09634	5.8
153.01901	2.4
157.10143	16.1
163.11223	1.7
165.09122	1.3
165.12820	3.4
175.11195	17.1
184.07458	2.8
189.11275	1.2
193.12256	63.3
211.13301	88.0
219.13943	1.1
233.15433	1.7
245.43004	1.0
267.15942	14.8
285.17017	5.9
349.21512	1.3
359.22198	1.8
367.22742	1.7
385.23743	1.2
387.17130	1.0
452.80472	1.0
459.27487	5.5
477.28558	10.4
495.17184	2.7
495.29575	100.0
496.30078	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	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
53.89799	1.1
54.57470	1.1
55.01873	3.5
55.05516	5.0
57.03431	3.4
61.02921	4.8
65.03944	1.2
67.05511	7.3
69.03074	1.8
69.03429	16.8
69.07071	6.1
70.49454	3.0
71.04998	2.7
73.02917	2.4
79.05496	11.0
80.10471	0.8
81.03422	8.2
81.07059	18.5
83.04987	5.8
83.08612	1.9
85.02910	40.3
87.00829	1.2
87.04462	1.9
91.03950	2.2
91.05485	9.9
93.07053	19.6
95.04982	2.9
95.08607	21.3
97.02895	12.9
97.06534	58.2
97.10172	2.0
99.04462	4.1
105.07029	17.2
107.04973	3.0
107.08598	15.2
109.02901	5.2
109.06506	11.9
109.10158	10.7
111.08067	2.3
115.03974	1.5
117.07040	3.6
119.08589	33.1
121.06516	10.4
121.10142	28.4
123.08073	10.8
123.11687	5.5
125.05986	5.5
125.09655	1.6
125.34119	0.9
127.03925	8.8
128.06329	1.1
129.07004	3.0
129.07965	0.9
130.07811	1.0
131.08574	10.5
133.06528	1.7
133.10143	12.6
135.08086	2.7
135.11696	9.8
137.09613	3.2
137.13254	1.4
141.06941	1.3
143.08549	6.8
144.09348	1.7
145.04968	9.2
145.06123	1.9
145.10135	15.9
147.08054	5.4
147.11705	7.9
149.09639	7.2
149.13277	5.1
155.08600	2.8
157.10124	7.4
159.02838	0.9
159.08067	1.7
159.11705	10.7
161.06216	1.0
161.09607	6.9
161.13243	10.1
163.11169	5.0
163.14853	2.3
165.09258	1.5
165.12761	1.1
169.10139	3.9
171.11690	6.0
172.12546	1.1
173.09633	7.4
173.11800	1.3
173.13266	21.7
175.11154	7.0
175.14804	5.3
177.12749	6.5
177.16396	1.3
181.10193	2.2
183.11659	5.4
185.13260	7.5
187.11203	3.7
187.14847	3.6
189.12775	3.6
189.16382	2.1
191.14320	3.6
191.17947	3.3
195.11720	2.3
197.13249	4.6
199.11238	1.2
199.14861	3.8
201.12794	6.3
201.16368	7.0
203.14319	2.4
209.13152	4.6
211.14819	2.8
211.20668	1.5
213.12769	2.4
213.16403	4.4
215.14308	4.6
215.17889	2.7
217.15880	1.9
219.13864	1.8
223.14827	3.1
225.16434	1.4
227.14430	5.2
227.18021	3.5
229.15840	2.6
237.16368	2.8
239.17908	8.4
241.15900	4.7
247.17073	2.4
251.18042	1.1
253.19460	5.6
255.21143	1.6
257.18915	2.5
259.15512	1.5
268.18280	1.1
269.19107	2.2
269.22498	1.1
271.20624	9.5
279.21030	14.9
297.22137	100.0
298.17480	1.9
298.22366	1.2
315.23181	58.4
316.23737	1.5
333.24274	23.5
333.28183	2.2
385.35068	0.9
392.09448	1.0
399.96378	1.0
477.28506	3.5
495.29608	45.4
496.29871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	13.0
55.01881	11.9
55.05518	29.2
57.03441	44.6
57.07077	5.2
61.02614	2.7
61.02930	55.8
65.03942	5.5
67.05509	66.2
69.03434	39.4
69.07075	26.9
71.01360	7.1
71.04992	8.4
73.02928	31.6
74.20267	2.6
76.58330	2.5
77.03907	2.8
79.05496	79.2
81.03433	33.2
81.07063	80.8
83.04993	16.0
83.08628	12.9
85.02911	51.4
85.06553	4.5
87.04470	5.2
91.03986	28.2
91.04916	2.7
91.05489	84.2
93.07050	86.0
93.07644	4.2
95.04979	19.4
95.08614	50.6
97.02897	49.2
97.06550	11.4
97.10181	5.5
99.04478	10.2
99.08129	4.3
101.02399	7.5
103.03963	11.5
103.05489	2.9
105.04456	2.6
105.07043	77.6
107.04964	13.2
107.08608	51.8
109.02892	9.2
109.06545	8.6
109.10191	15.5
111.04449	6.1
111.08102	5.2
115.03947	4.2
115.05487	4.1
116.06252	3.0
116.53918	2.6
117.07018	44.8
119.04958	3.0
119.08587	61.7
119.09368	4.5
121.06541	9.7
121.10148	36.3
123.08107	6.2
123.11765	4.8
125.09675	6.3
127.03906	18.2
128.06245	5.7
129.05490	9.5
129.07018	31.1
130.07861	3.6
131.04941	3.2
131.08585	63.3
133.06511	9.9
133.10150	47.0
135.08092	9.4
135.11697	27.4
137.05984	2.8
137.09645	3.4
139.11186	3.7
139.15881	2.4
141.07014	9.5
142.07800	6.1
143.08580	32.9
144.09367	4.9
145.05014	4.9
145.06490	11.8
145.10133	52.1
147.08073	7.8
147.11696	36.7
147.77509	2.3
149.05981	3.9
149.09637	8.3
149.13278	17.9
151.11160	2.9
153.01881	4.6
153.07033	2.7
154.07780	3.1
155.08592	17.8
157.06500	4.9
157.10147	27.0
159.08052	9.7
159.11699	39.3
161.09680	5.3
161.13258	19.7
163.11198	6.8
163.14859	4.2
167.08569	4.8
169.10136	20.7
171.08124	7.9
171.11713	28.4
173.09662	8.7
173.13255	30.6
175.11172	4.6
175.14867	8.3
177.12837	5.1
177.44563	2.6
179.08632	4.3
181.10201	7.6
183.06595	3.9
183.08076	5.6
183.11691	16.5
185.09630	8.5
185.13277	17.6
187.11185	5.5
187.14864	8.2
189.09113	2.7
189.12816	4.6
193.91063	3.0
195.11699	6.7
195.13721	2.7
197.09666	4.3
197.13287	10.1
199.11244	8.2
199.14865	8.5
201.12808	5.4
209.09537	4.5
209.13341	4.3
211.11336	4.6
211.14914	4.4
213.09218	3.2
213.12816	5.8
213.16417	3.7
215.14282	4.5
215.18076	3.4
220.60725	2.4
221.13373	2.6
223.14861	3.9
225.12837	6.5
229.16068	3.8
231.21146	3.9
241.19586	11.7
243.20950	2.8
253.19656	3.1
257.19165	5.1
259.20563	19.8
267.09119	3.7
269.18912	4.0
271.20676	7.2
273.22275	6.6
277.21750	6.4
281.19162	2.9
283.20773	7.1
285.22241	4.7
289.21634	6.0
293.18634	2.6
295.20773	5.0
297.22064	4.4
299.20236	4.4
301.21664	14.8
303.23602	4.0
307.20358	4.2
311.20111	3.7
313.21655	7.3
315.23132	4.3
321.22134	5.9
325.21722	8.1
331.22736	6.0
333.24289	42.8
339.23422	8.4
343.22729	9.0
345.24243	5.1
349.21747	9.7
357.24448	7.2
361.23746	9.8
363.25467	5.8
367.22711	19.2
375.25372	16.8
385.23685	15.0
387.25446	8.4
399.25507	5.0
403.24951	11.7
417.26166	12.5
421.26157	4.0
423.25821	3.1
429.26395	11.1
441.26346	43.1
459.27429	37.7
477.28531	40.7
488.01483	3.3
495.22351	5.0
495.29654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.0
55.01866	9.7
55.05521	27.4
56.96580	2.9
57.03444	43.5
57.07081	5.8
61.02932	61.1
65.03951	4.1
66.61915	2.4
67.05141	2.7
67.05507	66.1
69.03436	43.0
69.07076	31.4
69.59531	9.4
69.59945	4.6
71.01351	10.6
71.04991	9.0
73.02919	38.7
79.05497	71.7
81.03419	37.1
81.07063	76.5
83.04987	10.7
83.08620	11.8
85.02912	78.3
85.06551	5.5
87.04475	6.1
91.03957	39.1
91.04898	4.5
91.05483	85.2
93.07050	82.9
95.04990	15.7
95.08614	53.9
97.02897	60.7
97.06536	7.1
97.10191	5.2
99.04469	11.2
101.02376	10.3
103.03957	10.3
103.05466	4.2
105.07037	82.9
107.04968	8.8
107.08611	52.5
109.02885	11.5
109.06525	8.3
109.10188	21.3
111.04473	6.3
111.08096	3.8
113.05977	3.6
114.66089	2.9
115.03926	8.1
115.05460	7.4
117.07020	39.5
119.08595	63.1
121.06505	8.1
121.10156	39.2
123.04444	2.5
123.08054	5.8
123.11699	3.6
127.03924	17.3
128.06216	9.0
129.05489	8.9
129.07028	25.5
130.07796	2.9
131.04866	3.3
131.08563	55.1
131.09523	3.6
133.06493	8.8
133.10138	48.6
135.08090	7.2
135.11699	27.4
137.06018	2.8
139.07549	2.8
141.07001	10.3
142.07755	5.7
143.08565	34.1
145.04962	4.9
145.06560	7.2
145.10132	48.8
147.08081	10.1
147.11700	36.2
149.09636	6.2
149.13235	16.9
151.11337	2.9
153.07047	3.4
155.08551	17.4
156.09494	3.7
157.06538	4.5
157.10141	27.8
158.07362	2.8
159.08070	11.2
159.11702	35.6
161.09666	3.4
161.13268	20.3
163.11230	7.2
163.14903	4.1
165.07076	3.7
167.08580	7.3
168.24013	2.7
169.10103	12.0
171.08127	7.7
171.11696	27.4
173.09647	5.6
173.13249	23.7
175.11241	8.6
175.14896	9.5
177.09160	3.5
177.12706	5.8
179.10643	2.8
181.10120	8.5
183.06526	4.3
183.08095	4.9
183.11740	13.2
185.09702	6.0
185.13251	17.8
187.11179	7.5
187.14784	5.4
189.12819	3.9
193.10162	3.5
195.11794	9.3
197.09589	6.2
197.13217	11.9
199.11249	4.9
199.14857	7.1
201.12773	6.8
203.14311	4.1
207.11769	3.1
209.13322	6.2
211.14923	6.0
213.09320	2.6
213.12891	5.3
213.16415	4.7
215.14407	3.0
221.13484	3.3
225.12764	5.6
227.14304	5.7
231.21068	2.9
232.93282	2.4
241.15932	3.7
241.19626	14.4
253.19456	3.2
257.19113	6.1
259.20596	28.5
267.21118	2.9
271.17517	2.6
271.20654	8.3
273.22174	5.0
277.21704	6.6
283.20544	6.9
285.10098	3.9
285.22125	2.8
287.20078	4.1
289.21606	4.3
295.20493	5.2
299.20142	3.2
301.18695	2.7
301.21533	13.7
307.20724	3.8
309.21997	3.0
313.07333	2.9
313.21664	9.6
315.23343	3.8
321.22232	2.8
325.21698	9.4
327.23276	3.8
331.22882	6.7
333.24255	66.3
337.21768	4.9
339.23367	5.2
343.22806	8.7
345.24664	5.4
349.21796	10.7
351.25488	3.1
357.24161	4.3
361.23901	8.3
363.25198	5.9
367.18234	4.0
367.22537	20.4
375.25406	14.1
385.23752	14.5
387.25296	8.9
403.24722	11.9
405.26208	4.7
417.26355	10.2
429.26321	12.0
441.26361	43.2
459.27463	37.7
477.28516	45.0
495.29550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
53.63955	2.2
55.01859	6.8
55.05321	1.9
55.05519	19.0
56.96565	3.1
57.03418	6.7
61.02930	2.6
67.05513	37.4
69.03437	30.0
69.07085	19.5
69.07399	4.4
71.05001	18.2
71.53139	4.0
79.05503	29.0
81.03425	35.5
81.07063	72.0
83.04998	20.5
83.08619	10.3
85.02914	22.2
85.06530	11.3
86.09707	3.1
86.69836	2.3
87.00807	4.4
91.05485	30.0
93.07069	30.3
95.01327	4.6
95.04954	11.2
95.08617	59.7
97.02911	15.5
97.06542	22.5
97.10173	6.0
98.97606	5.3
99.04425	5.0
99.08083	6.3
101.06015	13.2
105.07045	29.1
107.04963	7.0
107.08611	15.2
109.02856	17.2
109.06538	14.1
109.10166	14.2
111.04424	5.2
111.08097	3.7
115.03992	2.4
117.07007	6.7
119.08591	29.0
121.06491	11.7
121.10125	8.4
123.04461	2.9
123.08062	10.2
123.11704	4.2
125.09639	6.5
127.03929	31.4
128.06322	3.0
129.05438	2.4
129.07036	3.1
131.08600	9.5
133.06505	10.6
133.10144	17.2
135.08055	6.8
135.11684	13.4
137.05995	3.5
137.13264	5.8
139.07628	2.9
141.06975	2.5
143.08568	4.1
145.04977	5.4
145.06564	3.4
145.10170	3.6
147.11685	8.1
149.09575	3.9
151.07590	13.7
153.01842	10.7
155.08611	2.8
157.10085	4.7
159.03004	2.6
159.08136	3.9
159.11711	6.5
161.09612	5.1
161.13258	35.3
169.10127	3.0
171.11758	3.5
173.11711	4.9
173.13237	5.4
175.07576	2.4
177.12727	2.6
179.14351	24.6
183.11548	3.0
185.09717	2.6
191.14304	4.8
195.13818	3.0
197.15346	9.9
207.13756	4.4
209.13358	3.2
209.15366	6.7
211.20485	5.9
219.13768	5.9
225.14743	4.1
226.88118	3.1
229.12167	4.7
237.14818	9.5
239.16563	3.2
251.16531	3.8
253.32451	2.8
263.16550	3.7
277.17877	3.1
287.16452	14.1
293.17426	6.8
305.17480	27.7
323.18546	100.0
330.08734	2.5
339.04700	2.7
341.19644	45.5
446.82172	2.6
473.64417	2.9
477.15472	7.1
477.28381	4.8
485.59283	2.6
495.16663	14.7
495.24417	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	495.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95588	2.4
53.03937	7.0
54.27660	2.2
55.01874	7.3
55.05516	27.5
56.92280	2.5
56.96552	2.7
57.03431	6.8
57.07078	4.8
61.02911	2.7
61.63093	2.4
61.85849	2.1
65.03941	2.8
67.05510	44.9
68.99815	2.5
69.03432	28.6
69.07075	24.0
70.24129	5.1
70.24532	4.2
71.05005	15.6
73.02909	3.1
79.05505	30.6
81.03424	40.1
81.07060	87.6
83.04982	20.8
83.08644	16.6
83.67272	2.6
85.02922	23.4
85.06561	11.3
86.09706	5.1
87.00836	3.3
91.05479	33.4
93.07049	36.5
95.04948	13.0
95.08611	78.3
97.02899	20.6
97.06528	25.3
97.10175	10.5
98.21428	3.6
99.04453	8.9
99.08085	4.1
101.06020	11.8
105.01865	3.0
105.07037	32.6
107.04945	9.1
107.08616	20.3
109.02895	22.8
109.06522	14.1
109.10152	24.7
111.04445	6.8
111.08090	4.7
111.11723	3.2
117.07010	9.1
119.08589	36.1
121.06519	13.6
121.10199	12.2
123.04455	3.1
123.08069	7.3
123.11708	5.8
125.05996	4.1
125.09615	4.2
127.03930	33.9
127.11171	13.4
129.05504	2.8
129.07007	5.7
131.08594	12.0
133.06462	5.8
133.10144	20.1
135.08076	8.9
135.11693	15.9
137.13280	7.6
143.08562	4.3
145.04892	3.6
145.06590	3.7
145.10152	5.9
147.08054	7.1
147.11696	10.9
149.09631	6.0
149.13255	5.2
151.07532	14.6
151.14799	2.8
153.01839	11.6
157.10190	4.0
159.02802	2.7
159.11760	6.0
161.09694	3.4
161.13271	39.0
169.10123	3.2
171.11659	3.6
173.11732	7.2
173.13222	5.8
179.14336	25.9
184.07321	3.2
185.13268	4.0
187.07492	2.4
189.12759	2.5
191.14316	7.0
193.19576	3.4
195.13666	2.9
197.13496	2.4
197.15382	9.0
201.12611	4.3
203.14247	2.6
207.13725	3.8
211.20543	12.9
214.95718	2.4
215.07071	3.7
219.13818	7.4
221.15361	4.2
225.14839	7.3
237.14815	9.8
249.14755	3.5
259.09619	3.1
259.15274	3.6
263.16498	6.8
275.16513	3.8
277.18134	3.2
287.16333	11.9
293.17490	5.0
303.23285	4.3
305.17484	41.0
323.18533	100.0
333.28366	2.5
339.04916	4.3
341.19626	43.2
351.64014	2.6
367.22610	3.0
477.15445	16.0
477.28494	4.6
495.16687	12.9
495.24356	3.1
495.30383	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2441
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
53.03946	4.5
55.05514	9.9
56.96571	2.1
57.03428	2.6
57.31222	1.9
59.04997	5.0
60.04516	3.4
61.02925	5.5
66.73225	2.0
67.05524	14.1
69.03420	12.2
69.07085	10.7
70.06591	2.8
71.04984	9.0
71.54172	4.1
79.05484	11.7
81.03420	13.9
81.07063	34.3
83.04977	14.9
83.08612	4.9
84.04491	2.7
84.08117	2.4
84.59682	1.8
85.02900	11.7
85.06532	6.0
86.09715	15.6
87.04465	4.5
91.05466	11.1
93.07053	33.0
95.04977	12.6
95.08621	26.9
97.02890	9.5
97.06534	21.5
98.97614	2.5
99.04452	18.0
99.08063	2.1
101.06043	2.8
105.07038	23.7
107.04961	3.2
107.08611	25.8
109.02886	21.0
109.06528	17.7
109.10150	8.2
111.08085	18.2
113.06007	4.1
119.08569	15.6
120.08087	6.2
121.05677	3.5
121.06512	44.1
121.10139	6.0
123.04446	4.4
123.08057	3.5
123.11705	7.5
125.06002	15.5
125.09651	2.9
127.03919	21.7
127.07539	8.8
131.08577	3.3
133.06505	2.6
133.10175	15.8
135.04414	2.8
135.08081	11.0
136.07553	2.4
137.05978	6.0
139.07518	13.8
141.05479	2.7
142.07814	4.5
143.07010	13.6
143.08594	4.9
145.04880	4.1
145.10127	5.1
147.08031	3.6
147.11684	30.5
149.09665	2.9
149.13306	3.7
151.11215	6.8
153.09108	3.1
157.08580	6.5
157.10123	8.1
159.06555	7.7
161.13275	9.6
163.03888	3.4
163.11205	4.3
165.12747	11.4
167.94949	2.4
169.12270	15.1
171.11746	11.8
173.09659	4.3
173.11888	2.5
175.11191	25.4
181.10010	2.4
187.06000	4.3
189.12732	16.6
193.12250	24.3
199.11191	15.3
205.07031	2.3
207.13846	11.7
211.13281	21.7
217.12260	55.5
225.14757	3.4
229.14374	20.7
235.13297	78.1
247.13179	3.2
253.14369	91.3
271.15482	15.8
287.05536	16.2
288.05948	9.1
289.16626	5.0
343.15631	3.2
361.02438	4.9
361.16467	4.6
379.17694	10.4
397.18723	12.4
409.18375	8.4
415.19641	5.6
451.19473	18.0
495.18372	100.0
495.24210	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1841
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
56.11159	0.5
58.02960	0.5
67.05505	0.6
69.03410	0.6
70.24722	1.6
75.10886	0.4
76.37851	0.5
79.05485	0.9
81.03423	0.9
81.07065	0.9
85.02922	0.6
86.09707	1.5
91.05478	0.8
93.07053	1.1
95.04993	0.6
95.08605	0.8
97.06533	0.6
97.38557	0.4
98.97639	0.6
99.04472	0.9
105.07036	0.9
107.65471	0.5
109.02847	0.4
109.06511	1.0
109.10155	2.4
114.02983	0.4
119.08576	0.8
120.08118	0.7
131.08559	0.6
133.10158	0.6
151.07565	1.5
155.08521	0.5
161.09576	0.7
162.06532	0.9
173.05750	2.6
203.05333	1.0
223.06024	0.7
229.12073	8.1
229.14288	0.9
231.13651	0.8
245.06374	1.6
247.13086	8.3
271.04214	0.5
275.12537	1.7
289.05389	4.4
391.17572	0.7
409.18378	7.2
451.12875	0.6
451.19421	24.6
495.18405	100.0
496.18805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05510	4.7
55.65449	0.9
56.96328	0.9
56.96567	9.4
57.03423	3.5
59.05008	5.4
61.02919	2.4
67.05511	10.4
69.03407	3.5
69.07044	3.8
69.27173	1.9
69.27578	6.3
70.06599	1.5
71.04971	1.5
72.08147	0.9
73.02915	1.2
79.05476	3.6
81.03401	4.0
81.07056	5.1
83.04964	2.5
83.08608	2.2
84.96037	5.3
85.02910	5.3
85.06500	1.5
86.09712	1.2
87.04437	3.2
89.19740	0.9
91.03955	2.1
91.05479	2.7
93.07056	4.5
95.04970	1.5
95.08577	2.7
97.02875	3.1
97.06509	2.0
97.10152	4.0
97.96796	1.6
98.21532	2.1
98.97591	28.8
99.04478	2.2
105.07015	3.5
107.04953	1.8
107.08574	3.2
109.02889	1.9
109.06495	3.0
109.10178	6.1
109.83615	0.9
110.97572	4.3
111.04420	1.1
111.08073	1.4
112.99101	2.0
116.98624	7.9
119.08605	2.3
121.06477	1.4
121.10121	2.8
123.04423	1.0
125.09652	5.4
126.97091	1.1
127.03909	2.3
128.98598	4.1
131.08502	2.2
133.10089	3.1
134.99658	1.3
135.08015	1.1
135.11653	1.5
137.09567	1.4
143.00101	1.4
145.04893	1.6
145.10107	1.6
146.99623	1.1
149.09592	0.9
153.01753	1.0
155.10571	1.7
158.99634	3.5
161.09630	1.2
163.11206	1.8
170.99667	1.1
172.25252	0.9
173.11720	2.7
177.00763	1.8
197.04808	1.1
219.01779	5.4
229.12241	1.3
229.14302	3.5
237.02879	7.0
247.09840	1.3
247.13176	2.4
247.16963	1.6
263.09418	1.2
265.11057	4.3
281.10565	1.0
283.12183	3.5
289.05334	1.2
289.11069	5.8
307.08792	1.4
307.12164	18.5
315.12985	1.2
325.13065	3.4
333.19077	1.8
349.13129	2.4
409.15176	42.7
410.15585	1.2
427.16406	7.6
451.16150	19.4
495.16528	100.0
495.25208	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	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28183	0.3
55.05500	1.0
60.07891	0.4
60.08169	6.4
65.10413	0.3
67.05490	0.5
69.07050	0.9
71.07381	2.9
71.40681	0.3
71.40997	0.4
77.09812	0.3
79.05479	0.3
81.07044	0.7
83.08601	0.5
85.10890	0.3
86.09711	29.2
93.07044	0.6
98.98473	2.8
101.00257	0.3
104.10748	3.7
121.10122	0.4
125.00010	20.8
149.02367	0.4
178.47249	0.3
184.07350	100.0
185.07677	0.7
193.04964	0.3
298.82657	0.3
344.97711	0.3
347.17078	0.7
347.67276	0.8
476.31488	1.6
494.32605	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	494.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44741	0.1
52.08844	0.1
52.34724	0.1
55.05510	0.4
56.05040	0.6
57.03430	0.3
57.07081	0.2
58.06638	0.5
60.08163	6.1
64.32967	0.1
67.05508	0.3
69.07073	0.6
69.82446	0.5
71.07373	2.9
79.05489	0.1
81.07061	0.3
83.08636	0.3
86.09707	28.5
89.18884	0.1
93.07081	0.2
95.08611	0.3
97.10189	0.2
98.20831	0.2
98.98462	2.4
104.10744	2.5
107.08578	0.1
121.10142	0.2
125.00006	20.6
149.02327	0.1
156.71722	0.1
162.90903	0.1
166.02689	0.1
171.44002	0.1
184.07341	100.0
185.07648	0.2
185.50133	0.1
193.04880	0.1
235.43077	0.1
258.10962	0.2
274.14490	0.1
311.25763	0.3
415.54221	0.1
476.31366	1.3
494.32422	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	494.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.8
56.96564	7.0
57.03437	5.9
57.07081	2.5
61.02930	3.9
67.05508	23.1
69.03413	5.9
69.07065	8.1
71.05017	3.0
71.53519	3.6
79.05506	12.6
81.03422	5.7
81.07080	22.9
82.18597	2.3
83.08607	3.1
84.03806	2.3
85.02903	6.8
91.03973	3.5
91.05483	10.4
93.07052	15.0
95.04971	2.6
95.08610	11.3
97.02892	4.8
97.06557	3.5
105.07046	5.2
107.04959	2.9
107.08585	8.4
109.10140	6.5
118.92105	6.8
119.08571	5.1
121.10138	2.9
129.06915	2.8
131.08551	5.5
135.08012	2.3
136.93129	23.8
143.08510	3.2
145.10118	3.0
154.94176	43.5
172.95261	45.3
172.96672	1.5
177.95793	3.3
183.44321	2.5
190.96342	10.9
195.96846	4.2
210.96761	13.8
211.13301	3.9
228.97809	27.8
246.98885	14.6
251.99521	3.1
267.09012	4.6
285.10104	4.5
315.16357	2.6
317.17941	7.5
335.18973	10.5
335.25732	38.2
349.17072	3.9
453.17166	13.4
471.18268	100.0
490.60669	2.9
494.19586	10.8
494.27194	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	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92826	1.8
53.03941	3.8
55.01884	2.2
55.05500	7.0
55.87997	1.8
59.16063	2.4
67.05489	6.7
69.03418	8.2
69.07058	14.4
69.15792	19.7
71.04981	6.8
79.05482	5.7
81.03408	6.0
81.07048	12.3
83.08618	9.3
85.02909	19.4
85.06552	3.7
87.00837	9.0
91.05482	4.1
93.07060	10.9
95.08612	19.9
97.02901	8.7
97.06541	13.7
98.52366	1.8
99.04453	6.9
105.01864	8.1
105.07009	8.7
107.08608	19.1
108.84799	2.0
109.02882	6.1
109.06516	7.2
109.10143	24.2
111.08084	2.9
111.11688	3.6
115.07578	11.3
119.08587	19.5
121.10144	7.2
123.08072	5.3
123.11723	11.5
127.03136	2.0
127.03924	13.7
127.11160	3.1
133.10149	37.7
135.11707	38.3
137.05997	3.7
137.09639	8.7
145.04938	5.4
147.11676	4.2
149.13286	10.2
153.12798	2.0
163.40121	1.7
175.13304	3.5
175.14833	54.8
177.16379	7.4
177.53242	1.7
179.14441	2.3
191.14218	2.0
192.41150	1.8
193.15892	79.5
209.15321	2.7
211.16945	100.0
231.04956	3.8
246.11380	2.1
337.20081	2.5
406.91797	1.7
420.17419	2.1
423.20102	3.8
441.20758	4.2
459.22293	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	493.28
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03938	9.2
55.01875	14.3
55.05514	25.9
56.96553	2.8
57.03424	8.2
57.07062	2.9
59.04993	2.4
60.60758	1.9
65.03946	2.7
67.05506	52.3
69.03419	6.2
69.07074	14.0
71.04999	11.8
73.02921	1.9
79.05497	53.4
81.03420	97.9
81.07059	48.6
83.04986	33.5
83.08628	22.8
85.02917	12.8
85.06547	4.9
86.09725	2.6
91.05485	46.6
93.07050	45.2
95.04971	43.3
95.08054	2.4
95.08611	16.9
97.02878	7.6
97.06541	14.3
97.10201	8.8
98.97578	3.4
99.04460	3.8
105.03437	1.9
105.04494	3.1
105.07040	33.5
107.04948	19.5
107.08602	26.6
109.02882	2.3
109.06530	8.9
109.10177	14.2
111.04450	38.8
111.08096	16.7
115.05441	2.7
115.10278	1.7
116.98669	2.3
117.07017	14.4
119.08582	28.5
120.32999	1.9
121.02824	2.3
121.06522	12.7
121.10148	27.3
123.04438	5.0
123.08065	5.8
125.05972	4.4
125.09632	5.3
127.03901	2.7
128.06221	3.5
129.05473	2.1
129.07008	18.4
130.07793	2.4
131.08592	21.7
133.06516	6.5
133.10146	10.5
135.04437	4.9
135.08049	4.2
135.11703	22.3
137.05998	3.8
137.09621	5.8
139.11183	2.2
142.07837	3.8
143.08569	3.7
145.06503	4.0
145.10129	24.1
147.08069	7.0
147.11725	11.5
149.09641	10.1
151.11153	2.4
153.12733	17.1
155.08539	5.3
157.10175	10.7
159.11688	3.1
161.05907	2.0
161.09351	2.7
163.04022	2.4
163.11186	34.5
165.09090	4.1
165.12770	2.9
169.10184	2.2
171.08086	1.8
173.09622	10.2
173.13220	1.8
175.11201	7.6
177.05507	3.4
181.12231	28.0
183.11821	2.0
187.11304	3.3
189.11250	3.0
189.12735	2.4
191.10640	20.5
193.12263	32.5
203.14314	3.1
205.12247	2.9
209.11716	12.1
211.13324	7.5
219.01752	3.7
219.13789	3.1
221.15263	1.9
227.12810	30.7
229.14352	3.2
231.13802	3.0
247.07457	1.8
247.13263	4.3
249.14847	7.9
265.14401	7.6
267.15933	13.4
279.03937	2.0
283.15399	31.5
355.22604	5.5
365.21185	6.4
382.59161	1.8
383.22211	13.4
395.54782	1.8
401.23315	11.9
419.24075	4.5
425.03806	1.7
429.26346	2.4
447.27457	5.5
457.25726	7.1
461.28708	2.7
475.26993	31.5
493.21365	5.0
493.27936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2799
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03939	5.3
55.01871	10.4
55.05514	30.4
56.84255	1.6
56.96567	1.9
57.03452	10.3
57.07073	2.0
57.89180	1.4
65.03930	3.7
67.05511	53.4
69.03430	7.7
69.07071	9.8
71.04985	7.5
79.05499	41.8
81.03423	63.6
81.07062	41.0
83.04988	21.1
83.08167	1.9
83.08630	27.6
85.02908	13.2
85.06533	4.2
91.05484	39.0
93.03381	2.2
93.06487	3.1
93.07048	43.8
93.07637	2.9
94.67219	1.3
95.04976	35.4
95.08610	25.6
97.02889	7.7
97.06533	8.2
97.10166	14.6
99.04453	3.7
99.08097	2.1
104.05224	1.8
105.07036	24.8
107.04959	20.7
107.08590	26.5
109.06545	8.5
109.10163	21.3
111.04456	14.8
111.08094	9.8
113.06010	2.4
115.05453	2.0
117.07020	12.9
119.08601	20.7
121.02855	11.2
121.06476	8.1
121.10137	19.5
123.04402	2.4
123.08060	5.5
123.11657	1.8
125.06040	4.3
125.09664	12.1
129.07031	12.0
130.07823	1.5
131.05028	2.3
131.08582	15.1
133.06491	4.9
133.10129	10.9
135.04439	7.4
135.08067	5.5
135.11700	24.8
137.06004	3.4
137.09631	5.7
139.07468	2.2
141.06989	2.8
142.07758	1.9
143.08556	2.4
145.06511	3.2
145.10135	19.7
147.08128	4.1
147.11685	8.2
149.05989	1.7
149.09650	4.3
151.07518	2.3
151.98676	1.7
153.09111	2.5
153.12753	8.6
155.08540	3.6
155.73503	1.5
157.06488	1.8
157.10156	8.9
157.24611	1.6
159.11697	2.9
163.11188	35.4
171.08032	2.0
173.09496	2.2
173.11842	4.1
175.11208	8.0
177.70580	1.7
181.12282	11.2
183.11772	3.5
185.13416	2.1
189.11267	5.1
191.10707	5.9
193.12260	30.7
201.12755	2.6
203.14262	2.9
209.11754	9.7
211.13283	32.2
219.13776	3.4
227.12791	57.8
229.12228	2.4
229.14351	6.3
247.13293	23.8
249.14919	7.4
253.48773	1.8
267.15939	26.4
283.15353	20.0
321.16946	5.4
352.25729	2.4
355.22635	3.5
365.21191	2.6
373.23633	2.1
383.22040	8.7
401.23044	9.3
406.64053	1.8
416.41769	2.1
419.24500	2.7
457.25763	3.2
475.26981	53.6
493.27963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.2
51.05598	1.1
51.41106	1.0
53.03934	4.7
55.01874	8.9
55.05516	20.8
56.44030	1.1
57.03436	8.9
57.89765	1.0
59.04986	2.7
65.03919	2.5
65.06182	1.2
65.95385	1.2
67.05185	2.1
67.05508	28.4
69.03418	3.3
69.07072	10.2
70.15099	4.8
70.46637	1.1
71.01337	1.5
71.04988	7.9
71.08641	2.1
73.84873	1.4
79.05495	33.5
81.03421	57.8
81.06589	2.3
81.07055	31.9
83.01323	6.1
83.04979	16.7
83.08616	19.9
85.02911	22.2
85.06538	2.1
91.05482	36.7
91.58656	1.3
93.07048	30.0
95.04964	20.3
95.08089	1.4
95.08615	14.1
97.02888	4.1
97.06531	7.4
97.10162	5.7
97.76014	1.2
98.21416	1.8
99.04460	2.5
99.08126	1.2
105.07034	24.3
107.04959	12.1
107.08599	16.1
109.02892	1.8
109.06509	6.4
109.10155	5.9
111.04450	5.9
111.08083	9.4
113.06024	1.7
115.05460	2.1
117.07024	7.6
119.04902	1.4
119.08581	17.2
119.09388	2.0
121.06487	4.8
121.10143	12.6
121.25341	1.3
123.08077	6.6
123.11665	2.5
125.05955	1.7
125.09629	3.4
128.06268	1.8
129.07021	10.6
130.07745	2.0
131.08559	11.2
132.69594	1.3
133.06490	1.6
133.10115	6.5
135.04370	1.5
135.08054	3.5
135.11693	10.8
137.09647	2.5
145.06502	1.9
145.10121	12.9
147.08061	3.3
147.11664	9.0
149.09618	5.6
153.12720	3.9
157.10126	6.4
159.11775	1.4
163.11183	20.9
173.09636	3.7
175.11185	9.3
181.12218	6.6
191.10634	6.1
193.12245	34.1
209.09988	1.2
209.11642	6.9
211.13286	34.8
227.12755	6.2
231.13940	1.4
249.14973	1.2
267.15887	5.9
283.15353	7.8
328.09570	1.2
352.25671	4.4
365.21005	1.4
383.22293	5.5
401.23190	4.1
457.26160	2.8
457.33075	1.1
458.58603	1.2
475.26947	8.7
493.27914	100.0
494.28012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93254	9.0
55.05506	28.5
57.07079	17.6
67.05492	27.3
68.79063	10.6
69.07057	37.2
70.17284	24.8
79.05481	29.3
80.40016	9.1
81.07059	100.0
83.04991	22.9
83.08611	21.6
91.05476	19.3
93.07062	62.9
95.08607	80.4
105.07029	32.2
107.08602	53.8
109.10157	39.4
111.04431	10.7
119.08600	26.3
121.10138	26.0
123.11688	12.6
131.08586	18.8
133.10135	28.5
135.11647	11.3
145.10164	14.5
146.19238	9.7
147.11601	15.4
157.10115	10.1
159.10234	17.2
159.11562	12.6
201.16475	10.9
274.13098	9.8
368.01871	9.0
492.30893	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	492.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.05014	0.5
58.06588	0.4
59.07357	0.3
60.08165	5.6
60.41141	0.2
60.70927	0.2
67.05489	0.7
69.07050	0.4
69.82186	1.2
71.07372	2.8
79.05478	0.4
81.07063	0.8
83.08609	0.3
86.09706	29.1
91.05473	0.4
95.08595	0.6
98.20820	0.3
98.98460	2.9
104.10746	2.7
105.06997	0.3
105.35605	0.2
109.10155	0.3
119.08562	0.3
125.00007	19.2
125.09557	0.3
184.07343	100.0
185.07651	0.3
333.10464	0.2
474.29584	1.2
474.75558	0.3
492.30911	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	492.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01859	0.5
55.05515	9.8
57.03447	5.7
57.07064	1.2
58.06599	5.3
60.30269	0.5
60.76945	0.4
65.03910	0.6
67.05509	20.9
69.06692	0.7
69.07070	13.5
71.05000	0.6
71.08637	0.5
71.55212	0.9
76.07634	1.2
77.20176	0.4
79.05496	6.1
81.07060	22.6
83.04959	0.6
83.08617	7.5
85.06505	0.5
86.09715	0.7
91.05473	3.8
93.07036	5.3
95.08611	17.7
97.06531	1.7
97.10168	3.8
99.08097	0.5
105.07037	3.0
107.08598	3.6
109.10152	6.4
109.62748	0.5
111.08058	0.7
111.11731	0.5
112.95293	0.4
119.08587	2.8
121.10142	2.0
123.11724	2.7
133.10133	3.0
133.10950	0.5
135.11687	1.9
137.13316	0.7
147.11685	1.4
149.13304	0.6
153.92480	0.5
156.04207	1.5
161.13225	1.3
168.01553	0.5
175.03951	0.6
175.14772	0.5
183.28036	0.7
184.07379	1.7
189.16357	0.6
216.56792	0.4
219.06590	1.0
230.07961	0.5
263.23859	0.7
320.29532	0.8
337.27371	100.0
338.27823	1.3
474.29764	0.6
480.81982	0.5
492.32410	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05517	9.7
56.05024	0.6
57.03443	5.6
57.07064	1.5
58.06321	1.0
58.06603	17.6
65.03922	0.8
67.05510	19.2
69.07073	13.3
70.82478	0.4
70.82801	0.7
71.04990	0.4
71.08629	0.5
75.34929	0.5
79.05079	0.4
79.05503	5.7
81.07059	21.6
83.04986	1.0
83.08627	5.8
85.06531	0.5
91.05481	3.9
93.07059	5.0
95.04989	0.5
95.08614	14.7
97.06548	1.8
97.10188	3.2
99.08107	0.5
105.07030	3.2
107.08585	3.8
109.09473	0.6
109.10162	6.1
111.08038	0.4
111.11719	0.6
119.08581	2.2
121.10130	2.3
123.11703	2.6
133.10176	2.3
135.11664	1.6
135.29472	0.5
137.13283	0.7
147.11679	1.3
149.13240	0.9
156.04214	3.6
161.13283	0.7
163.14755	0.4
175.14781	0.6
263.23730	0.5
320.29514	0.4
337.27377	100.0
338.27722	1.8
415.84164	0.4
468.31152	0.4
492.32074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01861	1.3
55.05515	6.0
57.03193	0.4
57.03444	3.9
57.07061	1.1
62.06086	0.8
64.35365	0.3
65.03934	0.5
67.05509	18.1
69.03442	0.5
69.07071	6.5
70.58908	0.5
70.59224	0.8
71.04987	1.1
71.08637	19.0
77.03915	0.4
79.05499	16.7
81.03419	2.2
81.07063	18.3
81.81498	0.4
83.04990	3.9
83.08627	3.7
85.06535	1.0
91.05482	11.4
92.05789	0.4
93.07050	20.5
95.04962	3.8
95.08612	13.1
97.06532	2.8
97.10163	1.6
98.06023	0.5
98.98444	1.2
99.08101	11.4
105.07036	7.5
107.04960	3.2
107.08605	11.5
109.06512	1.7
109.10162	5.0
111.08064	1.7
113.09638	1.6
117.07038	1.5
119.08588	7.6
121.06525	0.7
121.09368	0.4
121.10148	8.8
123.08074	0.9
123.11718	0.7
124.01595	0.6
125.09658	0.7
127.11184	0.7
129.06999	0.9
131.08585	2.2
133.10130	5.6
135.11696	11.1
137.09608	1.3
139.11171	0.6
141.09074	1.4
143.08559	0.7
145.10133	2.0
147.11693	2.9
149.13263	3.2
151.11197	8.2
153.08936	0.4
153.12846	0.5
157.10065	1.0
159.11668	1.6
161.13266	5.7
163.11177	2.1
163.14777	0.6
165.12830	0.8
167.10701	1.0
171.11716	1.0
173.13286	1.0
175.14847	1.0
177.12762	1.4
179.14323	33.3
185.13277	0.9
189.12703	1.0
193.12090	0.5
195.13811	0.5
198.05292	0.8
199.14883	0.7
201.80925	0.4
203.14357	0.5
216.06343	0.8
221.15428	0.8
222.18460	0.7
235.16942	1.3
241.19537	0.9
259.20636	1.8
277.21640	24.1
295.22729	0.6
320.25769	4.0
333.24277	2.5
351.25314	100.0
352.25626	0.8
431.22177	2.4
474.26016	0.4
492.27332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53094	2.1
53.03967	4.7
55.01864	3.5
55.05511	10.4
55.71099	2.2
55.81224	2.1
57.03439	6.5
59.13666	2.0
59.66486	2.2
67.05511	22.4
69.03422	2.5
69.07059	9.4
69.19016	2.3
69.31550	12.4
69.31955	4.4
70.35887	2.1
79.05494	23.4
81.03416	5.8
81.07061	18.6
83.04997	3.0
83.08610	3.8
91.05486	22.7
93.07044	27.4
95.04987	4.4
95.08615	12.1
97.06523	3.5
98.20765	2.9
105.07047	15.6
107.04941	2.6
107.08586	11.8
109.10162	5.6
112.99630	2.0
117.07023	5.7
119.08597	14.1
121.10130	5.8
129.07014	4.4
131.08578	5.8
133.10136	10.0
133.45148	2.1
135.11702	3.2
136.93127	8.4
145.10091	3.9
147.11699	5.8
154.94154	13.5
157.10190	2.7
159.11774	2.6
161.13391	2.3
163.11197	2.1
172.95236	11.4
173.09583	1.9
175.14824	2.2
190.96289	2.6
209.13312	8.0
210.96710	3.3
228.97920	7.5
259.20459	2.4
315.23572	2.4
331.04022	2.2
333.17755	4.5
333.24249	100.0
351.24670	3.0
451.15692	6.3
469.16669	31.2
492.17776	3.0
492.26974	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	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
53.41296	2.5
54.01400	2.1
55.01870	6.6
55.05518	4.3
57.03436	2.6
58.26360	2.2
67.05495	12.6
69.03429	20.0
69.07073	30.3
69.38565	15.9
71.04989	11.8
73.02928	5.2
79.05503	22.3
81.03420	21.0
81.07055	38.7
83.04985	55.8
85.02909	26.0
85.06530	10.3
87.00825	6.7
91.05473	19.2
93.07047	32.6
95.04964	25.1
95.08601	9.4
97.02909	18.4
97.06535	50.1
99.04439	23.8
101.06049	3.5
103.05461	3.0
105.01866	4.9
105.07037	55.2
107.04955	6.6
107.08590	23.7
109.02883	11.8
109.06526	29.0
109.10186	2.7
111.04420	4.9
111.08070	3.4
113.06033	4.1
115.03981	2.3
117.07030	12.9
119.04975	5.8
119.08588	15.9
121.06512	56.5
121.10139	16.4
123.04468	5.3
123.08077	4.5
123.11691	9.8
125.05061	4.7
125.05997	99.2
127.03886	15.9
127.07555	7.9
128.06230	3.7
130.07790	4.6
131.08565	23.7
133.06491	9.7
133.10120	16.6
135.04454	3.9
135.08063	8.9
135.11688	11.0
137.05981	57.0
138.09117	4.4
139.07605	3.8
140.54968	2.6
141.06966	4.7
143.07042	79.8
143.08556	10.4
144.02690	2.4
145.04984	7.4
145.06508	8.1
145.10126	100.0
147.08060	7.2
147.11682	6.9
149.05975	4.5
149.09671	5.2
151.07527	12.8
153.05495	5.2
155.08525	3.8
157.08554	3.8
157.10207	3.5
158.07289	5.2
159.02866	5.6
159.08046	9.7
159.11714	38.1
160.05209	2.9
161.09619	9.3
161.13179	2.9
163.04056	2.5
163.07491	2.7
163.11172	40.9
169.10210	11.3
171.11682	3.6
172.08791	3.3
173.09625	59.6
173.11050	4.6
175.07553	13.8
177.05432	3.1
177.12738	9.7
183.49808	2.4
185.09747	2.9
187.07471	7.3
187.11185	76.6
189.09123	3.2
189.12749	6.8
191.10661	39.2
191.14250	16.6
197.09630	9.7
201.05373	18.8
203.10687	2.7
205.12248	68.7
209.11734	24.7
209.15266	7.8
215.10680	65.9
221.11836	3.1
223.13245	6.9
227.16469	3.6
233.11740	88.6
247.13373	3.3
249.11064	3.2
251.12802	71.6
259.09644	3.5
261.10410	3.1
263.11871	2.8
267.12289	7.7
269.13797	21.1
275.12927	3.3
291.11478	3.7
293.13971	4.9
296.10376	3.3
299.12988	3.0
337.10599	4.1
338.13791	12.8
355.11755	6.5
359.14960	8.4
367.12753	5.9
377.15921	30.2
395.17065	22.9
413.18115	60.4
474.19116	10.7
492.14066	2.7
492.20633	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09795	1.9
53.03931	1.8
55.01873	4.2
55.05505	7.2
57.03436	4.8
57.07059	2.1
58.83668	2.0
61.02242	1.9
67.05503	4.8
69.03437	17.1
69.07060	5.7
70.06586	7.9
71.04983	7.1
71.53989	2.7
72.08156	2.6
73.02896	2.3
79.05504	2.6
81.03424	12.0
81.07063	12.6
83.04981	3.4
83.08615	5.4
84.08137	3.5
85.02911	38.5
85.06556	5.5
86.09713	4.0
87.00838	17.4
88.07650	10.1
91.05476	8.1
93.07066	10.1
95.04979	17.6
95.08613	9.8
97.02879	13.4
97.06546	19.9
99.04458	6.4
99.08103	4.1
104.07114	2.1
105.01875	16.1
105.07039	16.7
107.08595	14.6
109.02916	12.2
109.06525	30.5
109.10184	12.3
111.08062	4.7
114.05546	3.1
115.07578	8.0
117.07008	2.4
119.08601	11.8
120.08070	3.8
121.06522	2.3
121.10149	16.2
123.08076	9.2
123.11650	3.9
125.06001	2.2
125.09718	3.1
125.67346	2.1
127.03922	22.8
127.07584	2.3
129.07002	2.1
131.08563	13.8
133.10138	43.3
135.08069	4.2
135.11708	4.6
137.05962	3.4
139.11180	2.9
145.04988	9.9
145.10110	6.2
147.11684	30.2
149.09674	2.7
149.13269	6.0
151.11195	5.8
153.09120	17.1
159.02916	5.4
163.14851	4.7
165.12767	8.1
167.14384	2.5
173.13263	28.8
175.14862	2.7
177.05492	3.7
191.14307	42.5
209.15382	92.1
209.17383	4.7
225.14836	2.7
227.16425	100.0
231.05083	3.0
294.24326	12.4
301.77423	2.1
312.25299	9.4
313.17245	2.1
330.26474	8.4
439.19705	2.9
457.20471	3.4
475.21503	2.8
492.15445	3.3
492.30469	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	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33055	1.0
50.66429	0.9
52.57929	1.0
53.03954	2.7
55.01869	2.9
55.05519	5.2
57.03436	2.1
65.03944	1.3
67.05495	3.4
69.03442	9.4
69.07074	5.6
69.82793	1.7
69.83209	4.8
70.06578	1.5
71.04987	7.2
73.02906	1.1
74.06094	1.3
79.05492	4.8
81.03421	5.0
81.07082	6.9
83.04990	10.0
83.08625	2.7
85.02915	8.9
85.06554	1.4
87.00833	2.8
88.72034	1.0
91.05480	6.9
93.07054	7.2
95.04973	100.0
95.08629	3.9
97.02908	4.4
97.06526	8.3
99.04462	17.4
105.01852	2.7
105.07036	12.7
107.04963	1.9
107.08595	9.8
109.02866	4.5
109.06520	5.6
109.10208	2.8
111.04438	1.2
111.08101	3.1
113.09676	1.1
113.44066	1.0
115.07578	1.5
117.07036	2.1
118.76411	1.1
119.04972	2.6
119.08593	4.7
121.06514	10.8
121.10160	3.7
123.08083	2.0
125.06005	9.1
125.09607	2.9
127.03941	5.0
131.08598	3.4
133.06444	1.9
133.10146	10.3
135.04381	2.7
135.08092	3.0
135.11700	2.6
137.05997	6.1
137.09622	1.6
139.07524	2.9
139.11214	2.1
143.07066	4.2
143.08522	2.1
145.04930	1.8
145.06528	2.9
145.10141	13.2
147.11673	6.5
149.05988	1.5
149.09607	2.1
149.13257	2.9
151.07562	1.6
151.11206	5.2
153.09099	24.9
157.08655	2.7
158.07153	1.5
159.02812	1.3
159.11719	4.4
161.09630	1.3
161.13300	2.5
162.31946	1.3
163.11171	9.3
163.14841	2.2
167.14281	3.9
169.10164	2.3
173.09628	9.5
173.13245	5.8
175.07657	1.4
177.05522	1.3
179.08592	1.2
179.14375	1.8
181.12213	4.1
187.07578	1.6
187.11221	7.4
189.03995	2.4
191.10683	2.5
191.14287	12.1
197.09630	1.3
205.12250	5.0
209.15379	48.8
215.10681	10.2
216.15184	1.2
227.16495	4.1
233.11755	19.0
251.12796	15.2
269.13864	5.6
311.12845	1.7
377.15930	2.0
413.11292	1.3
413.17938	1.8
421.18729	1.7
457.20517	6.3
492.15680	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2643
Annotation	Cytoblastin
Peak:m/z	Relative Intensity
50.07421	2.0
52.09668	2.0
53.03936	4.2
53.33318	1.7
55.01849	8.3
55.05516	44.8
57.03416	6.6
60.84010	1.9
63.24821	2.9
65.03928	4.6
67.05195	2.9
67.05508	38.9
69.03396	9.2
69.07075	12.6
71.04977	4.9
71.54475	3.1
79.05503	38.0
81.03425	25.0
81.07062	35.2
83.05011	9.8
83.08630	26.1
85.02868	6.2
85.06524	5.9
91.05492	23.8
93.07050	29.4
95.04981	15.0
95.08604	15.0
97.02846	3.4
97.06503	7.2
97.09167	2.0
97.10179	49.1
98.97568	2.5
99.04403	2.7
103.05439	3.8
105.07047	18.8
107.04964	28.0
107.08006	2.4
107.08612	28.7
109.02854	6.5
109.06565	12.2
109.10139	13.1
111.04443	3.2
111.08049	6.1
115.05466	2.9
117.07036	11.3
119.04926	2.2
119.08574	12.8
121.02862	12.7
121.06522	19.1
121.10166	10.4
123.04421	4.1
123.08039	4.8
123.11681	3.1
125.09640	40.6
128.06171	2.9
129.06976	8.2
131.04898	3.9
131.08559	14.2
133.06447	6.4
133.10101	13.5
135.04388	4.3
135.08009	7.5
135.11665	6.3
137.05980	5.9
137.09618	4.8
141.06909	4.2
143.08517	6.5
145.06439	7.1
145.10103	8.3
147.08043	3.6
147.11664	4.9
149.02470	2.3
149.05922	3.4
149.09552	4.6
151.07501	2.6
151.11133	4.4
153.09096	7.3
157.06425	2.8
157.10091	4.1
159.08063	4.9
159.11684	4.2
161.09599	11.2
163.11143	7.8
165.09175	9.9
167.08469	2.2
171.10123	4.9
171.11600	2.6
173.09584	2.9
173.13184	4.9
175.11223	4.3
177.12823	2.4
179.10669	2.8
181.12161	2.7
185.09592	3.7
187.11171	2.0
189.09265	4.1
189.11168	24.5
191.10585	2.9
191.14247	7.2
193.12292	13.2
195.11728	2.6
199.13206	2.5
201.12682	6.0
203.10672	4.2
205.12170	2.7
219.11888	2.3
219.13834	35.9
221.11700	3.2
225.11102	2.7
227.12759	26.7
229.12187	3.8
245.11638	2.4
247.13289	21.4
259.09540	2.4
263.12665	6.5
268.16772	2.1
275.16379	2.1
277.08475	2.7
325.10675	3.6
337.10526	3.3
349.21463	2.1
353.21066	3.0
367.22549	5.1
371.22046	5.5
373.23645	3.7
381.20483	7.5
385.23947	3.0
389.22922	8.3
399.21588	10.1
417.22482	7.3
445.25861	14.5
455.24261	3.1
459.27203	14.2
463.26746	8.6
473.25479	28.5
491.26120	100.0
491.36780	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	491.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.2
54.89638	1.2
55.01880	10.0
55.05513	57.3
55.05760	2.0
57.03399	5.9
65.03908	1.9
67.05508	38.3
67.05846	1.4
69.03436	9.4
69.07063	15.8
71.04956	5.6
71.54365	1.7
79.05495	42.1
81.03426	12.5
81.07056	38.4
83.04996	8.6
83.08620	32.5
84.99831	1.2
85.02868	2.5
85.06513	4.1
86.06037	1.2
91.05484	20.5
93.07047	30.8
95.04982	13.6
95.08607	14.5
97.02867	1.7
97.06496	4.9
97.10175	65.4
103.05415	1.5
105.07033	16.5
107.04960	27.9
107.08603	26.9
109.02875	6.9
109.06516	16.2
109.10165	14.8
111.04388	2.6
111.08018	5.1
116.10689	1.4
117.07019	11.1
119.04898	1.6
119.08593	13.4
121.02824	3.0
121.06512	20.7
121.10170	10.3
122.07285	1.4
123.04415	1.5
123.07987	4.9
123.11707	8.9
125.09636	53.5
129.07021	6.1
131.04871	3.5
131.08578	16.3
133.06403	4.9
133.10159	9.1
135.04372	2.2
135.08049	10.8
135.11600	5.8
137.05923	2.1
137.09618	13.0
141.06958	1.4
143.08487	4.4
143.10600	2.1
145.06454	6.8
145.10152	8.8
147.04257	2.2
147.07965	4.2
147.11581	4.0
149.02313	2.0
149.09517	3.1
149.13245	2.4
151.03842	2.3
151.07504	2.9
153.09093	6.8
155.08424	4.5
157.10019	4.1
159.07968	2.5
159.11618	3.0
161.05849	2.1
161.09521	4.9
163.07410	1.8
163.11070	5.4
165.09119	100.0
167.08487	1.4
167.10616	1.7
171.08070	2.8
171.10086	4.0
171.11487	1.6
173.09529	3.2
173.13280	7.6
175.11113	3.2
177.12735	1.2
179.10645	1.7
181.10031	1.2
183.11531	1.7
184.07288	2.9
185.13219	1.9
187.10985	1.3
189.09308	2.4
189.11220	35.6
189.12730	2.2
191.10770	1.9
191.14296	10.1
193.04817	2.2
193.12115	5.1
195.11510	1.9
201.10968	2.1
201.12704	1.9
205.12239	1.9
209.11655	1.3
219.13800	55.4
225.11032	5.2
227.12741	19.6
237.14732	2.4
245.11635	2.1
247.13164	2.1
249.14760	3.6
263.12747	9.7
271.16931	1.2
273.14700	4.7
275.16187	3.7
281.13617	3.9
283.64746	1.5
342.78546	1.4
349.21259	2.0
350.23755	2.5
353.20804	2.9
367.22830	8.1
371.22354	7.2
381.20270	5.4
385.23734	7.9
389.23242	11.3
399.21533	8.7
403.24445	1.6
407.23868	5.0
408.89294	1.3
417.22256	3.9
441.26184	2.3
445.25922	21.3
447.27017	2.7
459.27411	29.7
463.27026	12.2
473.25037	18.8
491.25809	93.9
515.68732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	12.0
55.01880	18.4
55.05514	51.2
56.64647	2.6
57.03446	14.6
57.07074	2.7
59.04977	4.9
60.38644	2.3
65.03924	3.4
67.05508	49.5
68.67545	2.8
69.03394	5.8
69.07066	17.1
70.28891	2.5
70.95433	8.4
71.01299	5.1
71.04957	11.9
77.13602	2.7
78.41521	2.9
79.05501	67.5
79.05937	3.0
81.03423	32.1
81.07061	53.6
83.01342	14.8
83.04989	28.1
83.08628	25.9
85.02883	6.8
85.06487	4.5
91.05485	49.8
93.07053	64.7
95.04971	24.4
95.08612	29.3
97.02840	7.0
97.06537	14.6
97.10117	12.1
99.04424	3.0
105.07031	24.1
107.04958	38.5
107.08596	37.1
109.06551	17.9
109.10078	11.4
111.04414	5.4
111.08028	3.0
117.07019	25.1
119.08601	27.6
121.06535	15.0
121.10138	23.4
123.08067	20.1
123.11685	3.2
123.52591	2.7
124.67990	2.6
125.05948	4.3
125.09554	10.5
129.06903	8.9
130.07661	4.0
131.04823	3.6
131.08617	14.4
133.06360	3.0
133.10045	10.1
135.07956	7.0
135.11697	28.4
137.09531	3.6
140.65225	2.6
141.06914	4.2
143.08514	3.9
145.06424	5.6
145.10136	30.1
147.07977	6.2
147.11594	5.5
149.09555	5.5
153.09097	3.2
153.12622	10.5
155.08476	6.2
159.07994	4.4
159.11650	3.3
163.03773	6.0
163.11195	66.2
165.09021	4.2
171.11580	3.0
173.09518	11.0
177.12683	3.0
180.78941	2.7
181.12204	14.9
189.11090	5.0
191.10535	9.8
197.17850	2.8
209.11682	23.5
219.13637	4.4
227.12816	17.7
269.10153	2.6
270.17624	3.7
299.12723	3.1
349.21338	4.5
350.23953	6.9
363.19119	3.6
367.22385	6.2
385.23953	12.7
459.27371	34.1
489.09177	2.7
491.11215	3.5
491.25836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75967	0.5
53.03931	1.7
55.05518	7.5
57.03201	0.5
57.03443	5.7
57.07066	0.8
57.79867	0.5
58.06361	0.5
58.06606	6.9
65.03914	0.9
67.05508	26.8
69.07078	6.4
76.07640	0.8
79.05074	0.9
79.05498	12.6
81.07059	23.7
82.59948	0.4
83.04947	1.0
83.08621	3.3
91.05475	6.4
93.07053	14.2
95.04958	1.4
95.08612	18.8
97.06509	0.9
97.10174	0.8
105.07040	3.7
107.08598	7.0
109.10165	4.9
117.06978	1.1
119.08590	3.4
121.10156	4.7
123.08062	0.6
123.11726	1.2
131.08549	2.2
133.10129	2.0
135.11659	2.6
145.10129	1.9
147.11710	1.0
149.13199	1.2
156.04214	1.9
159.11754	0.9
173.13290	0.9
175.14664	0.6
180.33588	0.5
185.22211	0.6
200.04182	0.5
229.41266	0.6
230.07910	0.8
261.21982	0.6
275.43338	0.5
285.05359	0.5
295.38519	0.5
318.28049	1.1
335.25815	100.0
336.26187	1.4
385.94012	0.6
410.66467	0.5
443.55783	0.6
487.14041	0.5
490.29391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13599	0.3
53.03959	0.8
55.01868	0.4
55.05520	5.1
56.05045	0.5
57.03444	5.9
57.07074	0.8
58.06605	21.3
61.70147	0.3
62.47097	0.3
65.03928	0.9
67.05509	24.9
69.06730	0.5
69.07072	6.0
71.04995	0.8
79.05500	12.9
81.07063	22.3
83.04981	1.2
83.08624	2.7
85.06543	0.6
85.13960	0.3
91.05486	6.3
93.07049	14.4
95.04956	1.1
95.08616	18.4
97.06514	0.9
97.10143	0.4
98.21143	1.9
105.07056	3.2
107.08602	6.9
109.10163	5.9
111.08038	0.3
117.07025	1.3
119.08591	2.2
121.10138	4.7
123.11730	1.7
131.08533	1.6
133.10112	1.4
135.11697	2.9
141.59171	0.4
145.10129	1.4
147.11710	1.0
149.13248	1.5
156.04205	4.2
159.11722	1.0
161.13232	0.7
175.14787	0.4
183.60178	0.3
187.14809	0.4
230.07977	0.4
257.19016	0.3
261.21954	0.5
265.94809	0.4
335.25821	100.0
336.26303	0.8
436.12869	0.3
468.31964	0.4
490.22516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01877	6.5
55.05513	6.8
56.96567	1.1
57.03450	2.8
57.03695	0.6
57.07064	0.6
57.57537	0.7
67.05506	14.7
69.03410	0.6
69.07069	14.4
70.93269	0.9
70.93616	1.0
71.04998	0.9
71.69997	0.5
79.05499	12.5
81.03423	6.7
81.07059	21.5
83.01248	0.5
83.04991	4.0
83.08606	3.1
85.02900	1.0
85.06521	1.1
90.27505	0.6
91.05481	16.3
93.06482	1.0
93.07050	15.4
95.01335	5.2
95.04976	4.7
95.08609	13.1
97.06536	11.6
97.10184	1.2
103.05482	0.7
105.07036	22.5
107.04961	9.8
107.08602	7.2
109.06522	2.1
109.10168	3.9
111.08044	1.3
117.07027	5.3
119.08587	10.9
121.06501	2.3
121.10150	4.3
123.04417	1.3
123.08075	2.7
123.11688	0.8
125.09656	1.3
129.07018	1.2
131.08585	8.1
133.06502	1.1
133.10139	14.1
135.08093	1.7
135.11710	2.8
137.09622	1.1
139.07559	0.9
141.06998	1.1
143.08536	1.3
145.06488	1.8
145.10124	6.0
147.11662	4.7
149.09641	3.1
149.13277	1.9
155.08620	0.6
157.10153	1.2
159.11678	5.5
161.13266	2.0
163.11172	2.1
165.09131	1.3
169.10138	1.4
171.11720	0.7
173.13264	1.1
177.12767	2.1
179.14345	6.1
183.11761	0.7
187.11180	1.8
195.13712	0.9
197.13205	0.6
198.05273	0.8
201.12961	0.8
205.12234	0.9
216.06375	1.4
223.13377	0.7
241.14311	1.0
257.18979	2.7
275.20062	26.6
293.21030	1.7
318.24295	3.1
349.23749	100.0
350.24048	1.6
399.73828	0.7
429.20358	2.0
447.21277	1.0
472.24802	1.0
490.25491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01880	5.6
55.05516	6.3
56.96561	0.7
57.03447	3.0
57.89218	0.5
61.44807	0.4
62.06081	0.6
65.03960	0.8
65.24287	0.5
67.05508	16.0
68.22570	0.5
69.03426	1.4
69.07072	15.5
69.22897	4.6
71.04993	0.9
79.05502	14.2
81.03425	6.6
81.07061	20.0
83.05000	3.9
83.08624	2.8
84.25627	0.5
85.06549	0.8
91.05489	16.6
93.07050	15.6
95.01344	4.3
95.04971	4.6
95.08615	13.3
97.06536	10.8
97.10164	1.4
99.08097	0.7
103.05432	0.7
105.07040	21.3
107.04967	9.1
107.08597	6.9
109.06512	1.9
109.10165	3.6
111.04499	0.7
111.08111	1.3
113.09661	1.1
117.07016	5.3
119.08587	11.5
121.06516	1.7
121.10155	4.4
123.04435	1.5
123.08074	2.5
123.11744	0.9
125.09637	0.9
129.06995	1.5
130.34740	0.5
130.84665	0.5
131.08571	8.1
133.06483	0.8
133.10141	15.6
135.08038	1.8
135.11650	4.0
137.09616	1.4
139.15216	0.5
141.07005	0.8
143.08498	1.1
145.06485	1.4
145.10127	7.0
147.07916	0.7
147.11694	5.0
149.09619	2.4
149.13251	2.1
151.11177	0.6
157.10127	2.1
159.11703	6.7
161.13286	2.1
163.11195	1.9
165.09149	1.3
169.10170	1.2
171.11734	0.8
173.13268	1.7
177.12770	2.2
179.14291	6.2
183.11728	0.9
187.11168	2.3
197.13261	1.0
198.84502	0.5
205.12177	0.8
216.06367	1.2
229.19514	0.7
233.15373	0.7
238.67064	0.5
239.17836	0.7
241.14407	0.9
257.18887	2.7
275.20084	26.9
293.21088	1.8
318.24194	3.2
343.77045	0.6
349.23749	100.0
350.24283	1.0
429.20364	2.4
472.24823	1.2
490.12009	1.2
490.25745	1.6
491.26581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01868	3.9
55.05507	2.5
56.96562	2.0
57.03429	3.4
61.02905	2.2
65.03939	1.4
67.05508	43.3
67.11521	1.1
68.99770	1.6
69.03147	1.4
69.03441	12.6
69.07076	2.7
71.04986	2.6
71.53230	1.3
71.53677	1.6
73.02898	1.8
73.86196	1.3
75.04472	3.2
76.43038	1.2
79.05500	18.0
81.03440	9.0
81.07059	22.6
82.09987	1.1
82.19180	1.1
83.04990	3.1
83.08633	1.2
85.02911	36.5
87.00829	11.2
91.05488	33.8
93.03418	1.5
93.07047	7.0
95.04962	4.5
95.08596	5.7
97.02905	9.7
97.06537	7.2
98.97581	1.8
99.04468	9.1
100.12663	1.1
102.45023	1.3
104.99057	1.2
105.01875	17.6
105.07043	20.1
107.04961	2.4
107.08596	7.1
108.04456	2.0
109.02878	13.3
109.06498	6.1
109.10152	3.5
111.04456	1.5
117.01849	1.9
119.08581	9.6
121.10143	3.6
123.04417	2.1
123.08073	12.2
123.11742	1.5
125.06006	1.5
125.09612	4.3
127.03933	19.2
129.01993	1.2
129.07013	4.4
131.08583	26.1
133.10141	100.0
135.08047	1.5
139.03983	1.7
139.07530	4.9
141.09105	21.5
145.04941	11.0
145.10086	3.4
147.02789	1.7
147.08046	1.4
147.11687	26.5
149.09599	6.2
151.11157	3.1
157.10083	3.8
159.02916	5.2
159.11702	1.5
161.13271	2.4
163.03951	1.7
165.09163	1.7
171.11685	2.8
173.09560	1.6
175.09787	2.2
175.11206	28.9
189.03983	1.6
189.12695	1.9
193.12247	1.5
195.10057	1.6
205.12291	2.0
207.13837	35.7
225.14844	9.5
231.05032	4.8
235.95908	1.2
241.12109	1.7
249.05991	2.9
249.14954	4.2
259.09634	1.6
259.13187	1.4
283.13300	2.5
349.23950	1.6
382.10135	1.3
423.16519	3.1
490.11884	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	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01868	2.6
55.05493	3.9
56.96552	2.4
57.03427	2.7
67.05513	7.6
67.05791	1.3
69.03424	8.6
69.07050	3.9
70.06578	2.0
71.04978	2.7
71.53573	1.6
72.08142	3.3
73.02900	2.4
76.14397	1.4
79.05479	2.8
81.03444	7.4
81.07075	10.2
83.04980	7.3
83.08627	2.0
84.08203	1.2
85.02910	30.7
85.06548	3.1
87.00833	8.7
91.05470	4.0
93.07055	4.8
95.04956	5.8
95.08594	6.0
97.02897	10.8
97.06533	6.6
99.04449	8.3
105.01894	7.5
105.07056	7.4
107.08604	11.9
109.02888	8.8
109.06499	14.3
109.10159	53.0
111.08073	4.0
119.08597	8.7
121.10156	13.2
123.08064	7.5
123.11716	17.7
125.09606	1.5
127.03940	11.7
131.08580	3.0
133.10101	3.9
135.11682	4.7
137.06001	2.1
137.09633	22.2
137.13274	1.5
140.28906	1.2
145.04979	2.9
145.10072	2.5
147.08064	3.2
147.11697	15.0
149.09613	7.7
151.07550	12.6
161.13245	7.9
163.11176	4.0
165.12761	100.0
167.10687	2.3
171.11685	4.1
174.10384	4.2
179.14316	10.5
180.06717	1.3
189.12729	17.4
207.13809	82.2
209.31145	1.5
213.03752	1.3
225.14828	4.4
231.04926	6.0
237.03122	1.3
249.14900	2.0
259.09772	2.1
349.23700	3.5
375.85046	1.6
490.17365	3.4
490.34299	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
52.92476	1.3
53.03946	2.2
55.05517	14.4
57.03442	3.8
57.07070	2.0
59.04989	2.3
59.41636	1.5
62.67664	1.2
65.03952	2.0
67.05510	68.2
69.07072	10.0
71.04996	3.0
79.05499	23.0
81.07068	31.3
83.04990	2.6
83.08617	7.3
85.06546	2.9
91.05489	19.5
93.07049	29.7
95.04944	1.5
95.08624	23.6
97.06540	3.4
97.10201	1.7
105.04461	1.5
105.07049	14.8
105.98689	1.7
107.08615	15.4
109.10165	39.1
111.08083	2.0
117.07044	7.5
119.08597	17.3
121.10136	15.0
123.11687	1.9
129.07060	2.6
131.08568	11.0
133.10133	11.4
135.11708	5.0
137.09637	2.4
139.11218	1.6
143.08607	5.2
145.10126	11.7
147.11684	8.1
149.13292	4.5
155.10759	1.9
157.10172	3.1
159.11726	8.6
161.13304	6.1
164.47421	1.4
169.10219	2.2
171.11742	3.0
173.11778	10.1
173.13289	7.2
183.11739	2.7
185.13365	4.9
187.14903	2.5
197.13287	2.3
199.14937	1.8
213.14911	1.5
229.48886	1.5
261.22363	2.2
271.20718	1.4
273.22110	2.0
299.23886	1.8
317.24789	2.7
379.30197	6.1
383.08862	1.5
397.31116	8.7
415.32101	1.9
471.34827	10.3
489.35962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52038	5.8
50.71797	5.9
53.03957	11.7
54.48536	6.1
55.01883	12.2
55.05509	26.9
56.96569	25.6
63.54034	6.8
67.05508	57.3
69.03445	32.8
69.07076	45.5
69.52547	6.7
70.06609	18.3
71.04994	27.9
79.05490	53.1
80.77523	5.8
81.03412	27.0
81.07058	99.4
83.04984	55.7
83.08645	7.9
84.08128	6.3
85.02918	43.2
85.06557	32.6
86.09714	20.4
91.05492	42.5
93.07043	49.9
95.04976	73.0
95.08617	43.6
97.02904	27.5
97.06552	69.0
98.97614	10.4
99.04470	27.0
99.08111	10.3
100.11287	10.9
105.07040	86.6
107.04987	11.9
107.08590	51.2
109.02889	15.9
109.06534	52.4
109.10172	23.3
111.04452	12.0
111.08115	16.0
112.99083	7.0
117.07002	10.4
117.21885	7.8
119.04965	7.2
119.08572	37.3
119.10996	7.1
120.08121	10.5
121.06514	36.4
121.10168	27.4
123.04429	16.7
123.08133	10.0
123.11767	11.1
125.06001	69.5
125.09677	10.1
127.03943	23.8
127.07554	23.3
129.07025	10.5
131.08562	44.6
133.06485	10.8
133.10152	26.9
135.04475	12.2
135.08073	16.1
135.11705	18.1
137.05991	76.0
137.13269	8.0
139.96683	6.6
143.07063	43.7
143.08568	18.7
144.93712	7.8
145.02885	7.1
145.06483	15.7
145.10158	100.0
147.08046	14.0
147.11699	12.7
149.09589	10.2
149.13255	9.3
151.07561	18.7
153.05431	8.9
155.08629	8.0
157.06531	7.3
158.07266	10.0
159.08067	13.2
159.11743	30.9
161.09602	13.9
161.13206	9.5
163.03934	19.2
163.11195	33.8
164.29781	7.3
169.10109	12.5
171.11697	12.6
173.02394	8.0
173.05917	7.4
173.09595	50.5
175.07544	7.7
177.05440	12.6
177.12904	8.0
187.07613	8.6
187.11205	76.2
189.12773	13.5
191.03511	9.0
191.10635	38.6
193.08667	8.9
205.12315	43.7
209.11731	67.3
215.07054	24.9
215.10637	50.5
219.01822	10.0
223.13335	9.5
223.17009	8.3
233.11769	47.3
238.41185	6.7
241.13937	6.4
241.17970	12.5
247.13313	8.5
251.12823	79.7
257.11700	16.6
259.09634	34.8
269.13956	30.4
275.12814	11.9
284.50592	6.6
291.19464	17.1
292.19763	34.3
309.20651	9.7
310.21042	21.3
333.06485	7.0
359.14926	11.6
377.16132	25.6
395.16959	33.8
413.18265	32.2
466.74503	8.1
467.15875	9.3
489.11679	11.9
489.23425	75.0
489.33981	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	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01855	5.5
55.05498	10.3
56.96543	7.4
57.03423	3.3
67.05503	24.7
69.03433	18.3
69.07067	30.7
71.05012	12.2
71.54909	5.0
79.05499	27.9
79.63251	3.0
81.03411	14.4
81.07061	28.7
83.04985	63.0
83.08595	3.5
85.02907	15.4
85.06536	5.6
86.09711	4.1
91.05472	28.0
93.07044	33.2
95.04971	34.4
95.08601	8.5
97.02885	7.4
97.06537	62.3
97.11234	2.5
98.97553	6.4
99.04453	18.5
101.06069	3.4
105.04459	2.5
105.07037	65.0
106.07371	2.9
107.04943	8.6
107.08590	24.2
109.02885	7.3
109.05898	3.2
109.06532	27.6
109.10130	3.8
111.04468	5.2
111.08070	3.7
113.06019	3.5
115.05466	3.9
117.07005	13.2
119.04926	11.6
119.08591	17.2
120.68739	2.4
121.06514	36.4
121.10153	8.0
123.04451	3.9
123.08081	4.2
125.06000	84.0
127.03915	8.5
127.07545	6.0
128.06258	2.8
129.06990	10.9
130.07773	4.8
131.04898	2.7
131.08588	26.1
133.06491	11.0
133.10147	15.8
135.04416	5.3
135.08080	12.2
135.11699	5.5
137.05994	20.4
137.49405	2.7
139.07524	6.3
141.07062	3.1
143.07037	53.4
143.08553	10.7
144.09305	4.9
145.06477	10.7
145.10126	100.0
146.10463	3.4
147.04381	2.6
147.08015	6.7
147.11691	7.5
149.09616	3.8
149.13290	3.0
151.07523	14.4
153.05498	3.1
154.07782	4.3
155.08557	4.9
157.08615	7.4
158.07236	10.1
159.08037	10.3
159.11708	42.8
161.02423	4.0
161.09593	8.7
161.13220	5.2
163.03908	7.6
163.07521	4.1
163.11211	36.0
165.09097	10.5
169.10117	10.9
171.11656	5.6
172.08807	5.8
173.02403	3.7
173.09630	61.6
175.07550	4.5
177.12743	15.0
179.10680	5.6
187.11179	78.2
187.30702	3.3
189.09084	3.0
189.12706	4.6
191.10670	39.7
197.09698	12.8
203.10576	2.9
205.12244	74.7
209.11739	24.5
215.07054	7.4
215.10675	89.8
223.13216	7.6
233.11722	76.5
237.00633	3.3
237.02750	5.8
251.12802	42.5
257.11780	4.5
259.09695	23.4
269.13855	15.3
289.07571	3.3
333.06073	3.7
358.86716	2.6
377.15894	10.8
395.16949	7.5
413.18320	17.1
467.15765	9.4
489.11859	15.6
489.18149	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	488.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.4
53.03925	0.8
54.94938	0.5
55.01850	1.2
55.05481	2.1
56.96545	0.7
57.03427	0.5
60.04485	0.7
62.06094	3.3
65.03905	1.3
67.05511	4.1
69.03442	3.0
69.07037	1.4
70.02933	1.1
70.06581	0.6
71.04961	1.0
71.08637	6.6
71.54684	0.9
72.08144	1.1
73.02885	0.9
79.05499	2.3
81.03399	0.6
81.07052	5.2
83.04984	6.5
83.08604	0.6
84.04486	0.7
85.02890	3.0
86.06066	34.4
86.09696	2.6
87.00786	0.6
88.03970	1.1
91.05451	1.9
93.03366	2.1
93.07027	2.5
95.04974	6.2
95.08568	2.2
96.08109	1.2
97.02873	1.1
97.06506	1.9
98.09686	3.5
98.97586	1.0
99.04425	0.8
99.08080	5.4
100.07595	0.8
101.02380	2.9
105.07014	1.4
107.04930	0.5
107.08553	1.8
108.08155	2.5
108.08758	0.7
109.06520	6.3
111.03745	0.5
111.04450	7.4
111.08094	6.2
116.10742	7.9
117.07009	0.6
117.09098	0.9
119.08537	0.8
120.08063	0.7
121.02866	1.2
121.06462	0.9
121.08872	0.9
121.10087	0.9
123.07996	0.7
123.11652	0.5
124.11218	0.9
125.09566	0.6
129.05507	3.0
134.09653	2.6
135.08049	0.6
136.07552	0.7
137.05991	5.1
138.09055	1.2
139.03888	4.2
142.08649	1.1
142.12283	6.3
143.10681	8.4
144.08055	0.7
145.10138	0.8
147.11597	0.7
149.13232	0.6
151.07536	0.5
152.10689	2.2
155.06996	1.1
157.04958	1.5
163.03926	1.1
170.11748	9.1
172.11087	0.5
177.05519	0.9
180.10173	2.8
198.11255	100.0
205.15912	0.6
207.94910	0.5
211.13318	1.0
214.18008	1.4
215.07016	0.7
216.12286	3.7
233.15335	0.7
237.00699	0.5
244.08067	0.6
259.09717	1.0
262.09299	3.1
272.19913	0.9
273.13354	3.0
273.18475	0.7
278.17361	0.6
293.10327	0.8
296.18600	6.4
310.32666	0.7
311.11230	1.7
316.22821	2.0
327.03302	0.6
334.23819	6.6
344.17099	0.6
360.16562	1.6
367.62381	0.5
372.16632	2.5
390.17581	40.2
391.17880	0.6
409.18887	1.4
470.23737	6.1
488.24921	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	487.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.05513	7.6
56.96562	5.5
57.03429	7.9
61.02918	4.3
66.33374	2.9
67.05502	23.6
69.03429	5.5
69.07053	12.5
69.52943	12.0
69.53345	6.0
71.04984	3.2
78.16564	2.7
79.05489	27.7
81.03396	8.9
81.07057	24.0
83.04999	7.0
83.08627	3.6
85.02895	10.2
85.06562	5.3
86.09674	3.3
91.05486	32.8
93.07022	24.0
95.04974	8.7
95.08621	14.1
97.02892	5.2
97.06551	14.5
97.10207	3.1
98.20815	2.9
98.97589	3.8
103.05467	3.4
105.07023	27.0
107.04941	12.8
107.08583	12.6
109.02808	4.8
109.06509	4.5
109.10159	7.8
117.07014	12.8
119.08626	18.0
121.06561	3.6
121.10165	7.9
123.11699	3.2
127.03938	4.3
129.07005	4.1
131.08612	20.1
133.06465	3.9
133.10089	5.7
135.08067	3.8
141.06952	3.0
145.10103	11.1
149.09634	4.0
155.08557	3.1
159.11708	5.5
167.67023	2.8
169.10168	4.9
171.11688	5.4
173.13287	4.2
187.14867	5.1
215.14394	3.3
233.15370	18.0
249.91473	3.3
263.29160	2.9
307.19012	100.0
370.17181	3.1
389.23129	3.5
469.64719	3.0
487.17453	4.7
487.25354	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	487.2155
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.23869	0.3
54.09079	0.2
59.85595	0.2
61.85844	0.3
63.16458	0.2
67.05508	0.4
68.63424	0.3
69.03433	0.4
69.07066	0.3
69.33274	1.6
70.06600	1.9
81.07049	0.3
84.08186	0.3
85.02903	0.7
86.09711	4.0
91.05492	0.4
93.07035	0.4
95.08614	0.3
97.06528	0.5
98.97604	0.4
105.07043	0.6
110.13769	0.3
119.08576	0.3
123.44685	0.2
133.10269	0.3
152.51118	0.2
163.03934	0.4
166.95515	0.3
184.07437	0.4
185.04247	0.3
199.18127	0.6
232.53642	0.3
259.07632	0.3
260.09964	0.3
269.12366	0.9
325.16315	2.0
335.09460	1.6
355.17297	0.8
487.21533	100.0
488.21664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34874	0.4
53.03942	1.0
55.01857	2.1
56.96553	0.6
57.03445	2.6
61.02925	1.1
69.03436	14.0
69.85812	1.0
69.86193	1.2
70.06599	2.5
71.01337	0.6
71.05001	5.2
72.08148	2.4
72.68653	0.5
73.02911	0.9
79.05483	0.5
81.03424	19.1
83.04977	0.9
84.04498	1.2
84.08136	1.4
85.02906	4.6
86.09699	3.0
87.04459	0.6
91.05461	1.6
93.07066	0.8
95.04979	0.5
97.02888	2.2
98.97589	1.7
99.04458	6.8
105.03364	0.8
107.04958	1.1
109.10108	0.5
116.07116	0.9
116.98637	0.7
117.05476	1.2
118.06545	2.6
119.04919	0.6
127.03894	1.1
127.07523	0.8
135.04424	0.6
140.01768	0.8
145.04970	0.8
145.07617	3.8
147.09181	5.6
161.09569	0.6
162.07898	1.0
163.02562	1.1
163.03917	21.3
163.08685	1.2
173.07118	8.7
175.08662	6.0
177.09109	0.6
184.07401	0.9
191.08165	100.0
203.08141	1.0
203.17249	0.5
213.10280	0.6
214.14610	0.5
215.11896	0.8
219.01720	0.6
222.02293	0.5
225.59207	0.5
231.36325	0.5
233.09235	1.4
237.02831	0.5
245.15280	1.4
247.16859	1.1
263.16568	3.0
271.10785	0.7
289.11823	1.5
307.12906	27.0
307.18604	0.8
325.13956	77.9
326.14404	0.7
332.78909	0.5
381.10168	0.6
461.24957	0.5
487.14197	1.7
487.20804	1.7
487.31958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
59.25704	1.2
67.29811	1.2
69.03422	2.7
70.44616	4.1
79.39518	1.4
85.01451	1.6
85.02914	5.9
97.01417	2.3
97.02907	2.8
101.00896	5.6
112.99161	3.9
115.02437	21.6
116.02525	1.3
119.01947	5.2
127.02416	3.6
127.03929	3.7
129.03972	4.9
131.00139	2.5
133.03479	46.2
135.03172	1.9
141.03938	8.1
143.01889	3.5
145.03482	17.5
145.04617	1.9
145.04994	1.5
147.05035	3.7
150.97940	1.4
151.04532	3.4
155.01926	2.1
157.03473	1.6
159.05037	36.9
161.02948	3.4
163.04585	2.0
169.03436	9.9
171.01367	1.6
171.05049	4.1
173.06648	4.0
177.06070	12.0
179.05521	2.3
181.66553	1.4
183.05051	2.2
185.03014	3.0
185.06560	2.4
187.04543	9.4
195.07130	6.5
197.06593	15.2
199.04613	1.7
201.06076	4.0
203.07710	1.6
213.02463	3.6
215.07739	3.3
217.09253	3.1
219.07146	17.7
223.04530	2.3
231.07164	2.4
241.05576	2.2
243.07222	3.2
245.04997	4.8
245.08731	88.9
246.08897	2.1
247.06664	13.1
263.06027	1.4
266.00330	1.4
271.06601	23.6
273.08151	2.3
289.07703	13.5
293.07199	2.0
295.12375	19.2
307.08856	4.5
315.05637	9.1
320.66531	1.3
321.10309	2.1
333.06729	31.1
333.10321	3.1
351.07745	100.0
446.98392	1.3
487.18854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01862	0.8
55.05502	0.7
57.03419	0.3
61.02929	0.3
67.05493	0.6
68.99793	0.4
69.03434	3.1
69.07056	1.0
69.42574	0.6
69.42976	1.5
71.04980	0.7
73.02908	0.6
79.05500	0.6
81.03422	3.4
81.07044	1.6
83.04967	0.8
83.08581	0.2
85.02433	0.4
85.02906	5.4
85.06596	0.2
86.09703	0.4
87.00825	2.0
90.92792	0.2
91.05491	0.8
93.07028	0.4
94.04183	0.5
95.04975	0.6
95.08586	0.9
97.02896	2.1
97.06517	1.1
98.97613	0.3
99.04461	1.2
103.44717	0.3
105.01849	1.5
105.03384	2.2
105.07022	0.7
106.03709	0.9
107.08581	1.0
109.02876	2.9
109.10179	0.5
111.04437	0.4
111.08135	0.3
119.08604	0.6
122.03629	1.6
123.11729	0.3
127.03917	4.4
131.08592	0.4
133.02806	0.3
135.11636	0.4
143.08530	0.5
145.04956	1.1
147.02853	0.3
147.11688	0.3
150.03136	1.2
159.02957	1.6
178.02618	4.8
179.03401	1.4
181.01340	0.9
193.12120	0.3
197.13171	0.3
203.10588	0.3
203.17862	0.3
204.10896	0.5
206.02112	30.9
207.02802	0.4
209.00813	9.8
211.13225	0.4
214.17935	0.4
215.18369	0.3
224.03159	18.1
227.01834	0.3
231.05029	0.4
237.03984	0.4
239.05504	100.0
240.05792	0.9
291.19614	0.3
307.12173	0.3
389.20428	0.3
487.17090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
57.08354	0.4
67.05506	1.1
69.03412	0.8
69.07061	0.9
69.70724	2.6
70.06589	2.6
79.05482	1.0
81.03431	0.6
83.94991	0.4
85.02908	1.8
85.06551	0.9
86.09712	2.6
86.24699	0.4
91.05505	0.7
95.04987	0.7
97.02937	0.5
97.06530	1.3
98.97579	0.6
107.04971	3.9
108.24152	0.4
111.04453	0.6
118.86362	0.4
127.03875	0.5
135.04410	1.7
145.04918	0.6
159.11778	0.5
162.03128	3.1
163.03931	5.9
179.03427	0.8
184.32367	0.4
190.02606	7.1
195.06631	0.9
207.02869	2.0
208.03697	6.2
214.51692	0.5
215.06992	0.6
221.04456	1.3
223.06023	100.0
224.06291	0.6
251.58784	0.5
257.08051	0.5
259.09650	4.0
289.10638	1.9
327.13879	0.5
341.64764	0.5
451.15588	0.6
486.20453	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	486.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.3
56.05035	0.7
57.03441	0.3
58.06384	0.2
58.06615	0.5
60.08166	5.7
66.43391	0.2
67.05501	0.4
69.03440	0.4
69.07073	0.4
69.52751	1.3
70.06596	2.1
71.04965	0.2
71.07375	3.1
72.08154	0.5
79.05488	0.6
81.03430	0.5
81.07058	0.6
84.08147	0.7
85.02914	0.6
86.09710	29.0
91.05499	0.6
93.07050	0.7
95.08609	0.4
97.02901	0.2
98.20701	0.2
98.97822	0.2
98.98461	1.8
104.10748	3.9
105.07046	0.2
121.10119	0.4
125.00013	19.7
129.07033	0.2
129.10284	0.4
136.07629	0.2
139.11052	0.2
156.14693	0.2
161.05951	0.3
184.07350	100.0
185.07684	0.7
186.07758	0.5
191.08199	0.5
215.07039	0.3
235.09711	0.3
236.82469	0.2
258.10980	0.3
259.09689	0.5
277.10715	0.4
307.12289	0.2
325.14017	0.5
432.21405	0.7
450.22543	9.7
454.70984	0.2
468.23334	0.5
486.15973	0.2
486.24170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21576	0.8
57.44783	0.7
67.19359	0.7
69.27560	1.4
69.27960	6.4
88.18769	0.7
91.05475	1.3
98.97600	0.7
115.05460	1.2
118.06548	17.0
119.08553	0.8
130.06500	1.7
132.08110	5.0
142.06549	2.1
143.07341	1.5
144.08090	12.4
146.06015	61.4
147.06371	1.2
159.09195	6.5
160.07524	1.2
170.05981	3.6
188.07072	100.0
189.07446	2.1
205.09732	51.1
207.10419	0.8
285.56012	0.8
322.50357	0.8
349.04138	1.0
441.13785	1.0
485.13123	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95393	0.6
55.05509	4.0
56.58722	0.6
57.03437	8.6
57.07080	25.3
65.40205	0.7
67.05511	5.8
69.07069	4.5
69.46137	1.3
69.46542	3.8
71.08639	14.5
76.32283	0.7
77.68443	0.7
81.07055	8.4
83.08632	4.1
85.10185	8.7
87.04478	9.7
89.06053	1.4
93.07047	0.8
95.08609	10.0
97.10178	2.7
98.98461	4.8
103.07593	1.2
109.10173	4.0
123.11703	1.7
148.48288	0.7
155.01060	2.0
228.79500	0.7
239.23529	0.9
257.24835	1.6
313.27383	100.0
314.27719	1.5
340.91797	0.7
359.78351	0.8
449.26749	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	484.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05036	0.4
58.06611	0.4
60.08165	7.2
67.05489	0.3
69.07054	0.2
70.06581	0.3
70.66546	0.3
70.66882	0.4
71.04993	0.3
71.07382	3.0
74.19661	0.2
79.05494	0.6
81.03413	0.5
81.07056	0.6
83.04966	0.4
83.08627	0.2
84.04515	0.3
84.08137	0.3
85.02916	0.4
86.09708	30.6
87.10040	0.2
91.05487	0.4
93.07039	0.4
95.04954	0.2
95.08588	0.4
97.02888	0.3
97.06551	0.4
98.98473	2.8
104.10738	3.3
105.01881	0.2
105.07036	0.4
105.49998	0.2
107.08619	0.5
109.06499	0.2
109.10215	0.3
114.09180	0.2
119.08608	0.3
121.10181	0.4
123.08093	0.2
125.00006	20.5
127.03938	0.2
127.95459	0.2
130.05026	0.8
131.08517	0.2
145.10147	0.5
147.08040	0.2
148.12151	0.2
157.10170	0.2
159.11780	0.2
163.03957	0.4
163.11234	0.3
184.07344	100.0
185.07733	0.4
258.11264	0.2
271.24622	0.2
386.21838	0.4
423.22421	0.2
442.11520	0.2
466.22095	1.3
484.23117	8.4
484.30334	1.4
490.25290	0.2
498.42960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05036	0.6
56.96558	0.3
57.03420	0.2
58.06624	0.5
59.07384	0.2
60.08169	6.4
61.04518	0.2
67.05506	0.5
69.03418	0.3
69.07067	0.4
70.06596	0.4
70.13789	0.5
71.07378	2.9
79.05489	0.7
81.03422	0.5
81.07056	0.5
83.04990	0.3
85.02893	0.5
86.09711	30.1
91.05500	0.5
93.07039	1.0
95.04990	0.4
95.08601	0.4
97.02901	0.3
97.06533	0.6
97.36637	0.2
98.20700	0.2
98.98474	2.4
98.99083	0.4
104.10747	3.0
105.07033	0.6
107.08607	0.5
109.10184	0.3
114.09157	0.2
117.07092	0.3
119.08557	0.6
121.10121	0.5
123.11739	0.2
125.00013	22.2
130.05025	0.5
131.08551	0.3
133.10086	0.4
135.11740	0.3
140.10765	0.2
145.10123	0.5
147.11700	0.3
160.09727	0.2
163.03879	0.4
163.11217	0.3
166.02629	0.2
167.29793	0.2
173.09650	0.2
173.13280	0.3
184.07350	100.0
185.07732	0.3
186.11266	0.3
187.14836	0.3
191.17932	0.2
257.38849	0.2
259.09857	0.3
350.83701	0.2
386.21982	0.3
388.14972	0.2
392.24350	0.4
466.21930	1.3
476.07559	0.2
484.23193	9.0
484.30255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
56.05039	0.5
57.03442	0.3
58.06591	1.8
59.07380	1.2
60.08166	5.4
66.78321	0.1
67.05508	0.3
70.06593	0.5
70.57440	0.2
70.57770	0.3
71.07386	2.1
72.20524	0.2
79.05498	0.3
81.03434	0.3
81.07066	0.2
83.04974	0.2
84.08158	0.2
85.02914	0.3
86.09709	26.1
91.05495	0.2
95.04999	0.3
98.98457	2.0
98.98948	0.2
104.10740	2.7
105.07060	0.3
116.04688	0.2
119.08588	0.2
120.08132	0.2
124.03963	0.2
125.00009	17.8
126.81525	0.2
129.05499	0.6
129.24792	0.2
133.10147	0.3
144.89954	0.2
157.08612	0.3
166.06282	0.2
184.07347	100.0
185.07556	0.2
199.67215	0.2
210.08865	0.8
239.09235	0.5
253.91248	0.2
258.11133	0.2
261.71014	0.2
269.35852	0.2
287.17633	0.3
288.34891	0.2
299.11230	0.2
342.34280	0.2
379.30930	0.2
403.40063	0.2
448.40207	0.2
466.22043	0.7
484.23059	5.5
485.19794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
56.05039	0.5
57.03442	0.3
58.06591	1.8
59.07380	1.2
60.08166	5.4
66.78321	0.1
67.05508	0.3
70.06593	0.5
70.57440	0.2
70.57770	0.3
71.07386	2.1
72.20524	0.2
79.05498	0.3
81.03434	0.3
81.07066	0.2
83.04974	0.2
84.08158	0.2
85.02914	0.3
86.09709	26.1
91.05495	0.2
95.04999	0.3
98.98457	2.0
98.98948	0.2
104.10740	2.7
105.07060	0.3
116.04688	0.2
119.08588	0.2
120.08132	0.2
124.03963	0.2
125.00009	17.8
126.81525	0.2
129.05499	0.6
129.24792	0.2
133.10147	0.3
144.89954	0.2
157.08612	0.3
166.06282	0.2
184.07347	100.0
185.07556	0.2
199.67215	0.2
210.08865	0.8
239.09235	0.5
253.91248	0.2
258.11133	0.2
261.71014	0.2
269.35852	0.2
287.17633	0.3
288.34891	0.2
299.11230	0.2
342.34280	0.2
379.30930	0.2
403.40063	0.2
448.40207	0.2
466.22043	0.7
484.23059	5.5
485.19794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
56.05034	2.9
56.96542	2.5
57.03407	2.8
61.01123	2.0
61.02929	24.6
67.05488	1.6
68.99779	0.8
69.03436	7.5
69.07043	0.9
70.06598	3.9
71.04956	1.7
71.53099	0.9
72.08140	2.2
73.02924	11.2
74.06084	0.6
81.03439	3.2
81.07035	2.0
83.04967	0.8
84.08152	6.3
85.02913	19.1
86.09721	3.7
87.04440	0.7
88.03983	0.8
91.03436	1.1
91.03961	17.8
91.05452	0.8
93.07039	1.0
95.04958	1.2
95.08613	0.8
97.02900	14.1
97.06518	1.1
97.89504	0.6
98.06023	0.7
98.97608	3.7
99.04441	1.5
101.02357	1.3
104.05331	2.9
104.10731	0.8
105.07035	0.9
107.08543	1.4
109.02858	1.3
115.03921	1.2
116.98611	0.9
119.08573	1.4
120.08079	3.1
121.02813	0.9
121.06445	0.9
121.10069	0.7
124.99966	2.4
127.03924	5.0
129.10223	4.9
133.10165	0.8
136.07567	0.7
137.02341	3.2
143.00128	0.8
145.04942	2.0
146.06349	1.8
149.02347	0.6
152.05966	0.7
153.01837	3.8
160.05185	0.8
161.05989	1.0
162.06386	1.0
163.03949	0.8
163.11328	0.8
165.01848	1.9
170.99551	1.1
174.05914	1.4
183.02863	0.9
184.07352	8.6
187.07558	2.0
189.00638	1.0
189.09096	0.8
195.03099	0.7
201.05478	2.2
206.64755	0.7
210.11412	1.3
214.09474	0.7
215.07051	3.7
216.07419	3.5
224.07939	1.1
229.05040	3.8
235.10846	1.1
241.08562	0.9
242.08945	1.9
247.09528	1.0
248.09961	0.8
252.03168	1.0
257.04480	2.2
259.09763	0.9
260.09979	1.2
261.03421	3.4
267.09030	0.8
274.04800	1.3
285.03989	1.5
303.04999	86.6
303.19516	1.1
304.05313	7.7
322.20868	0.9
324.11432	0.9
333.05609	3.5
340.99539	7.4
359.00705	17.7
360.01312	1.0
377.01819	100.0
378.02209	5.6
382.02548	1.4
395.02859	21.5
396.03409	1.2
397.72290	0.8
400.03357	3.3
401.01794	4.6
403.05002	34.9
403.55225	4.6
419.02985	6.9
420.02942	0.8
423.56213	2.1
442.04398	0.7
458.79709	0.8
484.07568	0.8
484.24286	2.4
503.05103	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	483.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29012	0.7
56.96532	0.6
70.34528	2.5
70.34879	0.9
84.04475	0.7
117.07043	1.0
118.06557	15.8
120.08112	1.0
130.06529	1.7
132.08095	4.2
137.15329	0.7
142.06520	1.8
143.07315	2.4
144.08101	12.1
146.06018	58.4
159.09198	7.4
160.07527	0.8
170.06000	4.7
188.07072	100.0
205.09743	51.9
205.11719	1.8
221.12840	0.9
498.10812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01858	4.4
55.05509	7.3
57.03426	6.0
59.06085	1.6
59.44986	2.0
61.59243	1.9
67.05496	7.6
69.03432	8.6
69.07069	21.8
69.31438	12.6
69.31859	3.5
71.04990	6.4
72.31716	1.7
77.03976	1.7
79.05502	26.3
81.03418	5.6
81.07056	11.7
83.04975	7.4
83.08606	3.4
84.08141	2.0
85.02895	7.5
85.06551	2.4
87.00851	3.0
89.03913	2.7
89.62426	1.6
91.05472	9.4
93.07040	5.8
95.04958	2.6
95.08598	3.8
97.02889	2.3
97.05923	3.7
97.06530	60.9
99.04452	2.2
100.11269	6.4
105.01875	2.0
105.07037	17.9
107.04962	6.8
107.08581	8.6
109.02876	2.6
109.06566	1.9
109.10165	3.6
111.04440	2.4
111.08069	7.9
117.06966	2.9
119.08573	8.5
121.10128	6.7
125.09644	4.0
127.03913	5.2
128.06253	3.1
129.06966	2.2
129.09096	5.8
130.04971	2.0
131.08568	6.5
133.02835	5.6
133.10126	49.8
135.04422	4.4
135.11688	2.0
137.09630	6.4
142.07796	2.7
143.08582	4.2
145.02847	7.0
145.04916	2.1
145.10120	2.8
147.04465	2.4
147.11652	2.9
149.09630	4.3
149.13329	1.8
151.11250	2.5
157.06435	2.4
157.10109	5.6
159.04449	4.3
159.11714	3.0
161.02303	9.8
161.09615	6.1
163.03920	36.1
171.11761	5.1
173.02348	80.4
173.13263	4.2
175.11201	2.2
175.14848	3.0
177.05510	6.1
184.16928	2.1
185.05995	5.3
185.09575	2.2
187.03873	2.9
187.07555	2.1
191.03406	11.5
191.14340	3.6
194.15329	2.1
195.08080	2.5
197.05917	1.8
199.03987	2.6
199.14822	4.2
210.14850	3.2
213.09091	4.8
215.07027	82.8
216.07338	2.6
217.15883	26.4
223.07527	4.4
233.08110	3.7
235.16913	42.2
241.08606	43.1
259.09656	73.1
273.11221	100.0
284.93054	1.7
291.12311	7.6
384.29111	1.8
465.21136	2.6
483.22028	5.8
483.38940	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	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19312	0.6
53.03944	1.2
55.01870	1.5
55.05508	2.4
57.03436	3.9
59.04997	1.0
60.68828	0.5
61.02923	1.7
65.03944	0.5
66.62769	0.6
67.05509	2.5
69.03425	3.0
69.07072	21.0
69.57933	2.7
79.05496	10.2
81.03410	1.3
81.07047	3.6
83.04965	1.3
85.02909	4.5
85.06576	1.3
86.09700	0.6
87.00838	1.7
87.08102	0.8
89.03935	2.4
91.05479	1.1
93.07031	1.3
95.04953	1.3
95.08585	0.8
97.02898	0.9
97.06534	75.8
98.20832	1.1
99.04476	0.7
103.05491	0.8
105.01864	1.5
105.04530	0.5
105.07021	3.4
106.68587	0.6
107.04971	2.0
107.08588	2.3
109.02892	1.0
109.06545	0.8
111.04446	0.9
111.08095	2.1
112.17267	0.5
117.03393	4.9
119.08622	1.0
121.10156	1.2
127.03907	2.2
128.06198	0.6
129.09120	3.0
131.08575	1.6
133.02858	3.0
133.10152	1.3
135.04408	5.7
141.06996	0.7
143.08548	2.0
145.02844	6.7
145.10117	1.0
147.04399	1.6
151.03828	0.6
157.06509	0.7
157.10136	1.9
159.03200	1.0
159.04433	8.9
159.08118	1.0
159.11702	1.6
161.02351	25.1
161.13234	1.2
163.03911	54.2
167.08588	0.8
169.06506	0.7
171.11659	0.9
173.02351	55.6
175.14812	0.5
177.05496	1.0
184.07355	0.8
185.06006	4.8
187.03917	1.0
187.07509	1.3
191.03423	7.0
195.07980	1.0
197.13327	1.0
199.03906	0.5
199.14816	3.2
201.16348	1.0
213.09082	1.1
215.07033	84.3
216.07359	0.9
217.15895	4.1
227.14009	0.5
233.08095	3.3
235.16942	3.2
241.08600	13.6
259.09668	23.4
273.11221	15.4
291.12274	100.0
292.12418	0.9
332.42111	0.5
334.46606	0.6
366.53610	0.5
378.40961	0.5
465.17703	0.7
483.17831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.8
57.03436	5.2
59.57287	2.0
60.08160	5.8
61.02925	3.8
67.05490	7.9
67.99819	2.1
69.03436	8.1
69.07064	6.1
70.06590	6.8
71.05003	2.1
71.06422	4.8
71.07359	2.9
72.08156	2.7
79.05505	4.3
81.03421	6.4
81.07079	4.2
83.04967	5.6
84.08148	2.0
85.02919	15.3
85.06557	3.9
86.09712	35.0
87.00798	3.0
87.10032	10.2
91.05486	8.8
93.07061	5.2
95.04968	5.0
97.02883	6.5
97.06541	5.2
104.10719	3.7
105.01868	2.7
105.07030	5.7
105.11058	3.8
107.04971	3.1
107.08583	5.7
109.02856	4.6
109.10173	5.0
111.04434	3.4
115.05470	5.4
117.07001	3.5
119.08588	6.2
120.08117	2.2
121.10168	2.6
123.04467	2.2
124.42426	2.0
125.00015	24.7
127.03913	6.3
128.06227	2.1
129.07033	6.0
131.04956	2.9
131.08563	5.8
133.10080	4.6
136.61520	2.5
137.05922	2.3
141.07022	16.2
142.07756	3.0
143.04919	2.3
143.08574	4.8
145.10104	3.5
147.04401	4.9
147.08115	2.3
157.10100	3.2
159.07997	3.4
159.11684	2.8
160.05215	6.3
161.05984	24.5
161.09570	3.0
163.03926	10.3
167.08583	12.0
169.06482	13.0
170.07199	2.4
171.08051	3.6
173.06009	13.4
173.13354	2.9
175.03891	9.5
175.07579	4.2
181.06392	2.3
184.05304	4.6
184.07353	100.0
185.06136	4.5
185.07686	31.4
185.09612	7.2
187.07553	50.4
189.05508	5.6
189.09126	21.4
194.12717	2.4
195.08084	14.2
197.06023	15.5
198.06752	4.5
199.07518	4.2
199.14818	2.0
200.04814	4.8
201.05510	11.2
203.10725	2.3
205.05098	3.0
213.05534	5.3
213.09088	19.5
215.07037	90.5
217.08691	4.5
217.15912	8.6
223.07478	18.7
223.09195	2.0
231.10205	7.2
241.08624	44.1
243.10197	14.6
246.14833	10.9
247.09715	24.3
259.09656	21.8
273.11191	3.5
286.17374	4.1
303.04999	8.1
312.91028	2.5
315.29596	2.2
359.00552	2.5
377.01920	8.9
403.04999	3.2
450.22806	2.2
451.22726	7.3
483.10754	2.7
483.22675	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	483.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97491	0.9
52.21284	0.8
56.96563	0.9
57.08994	0.8
69.03440	1.7
69.26775	1.5
69.27185	5.7
75.04413	1.0
79.55743	0.8
81.03434	1.8
82.99894	2.9
85.02910	2.7
94.99872	1.8
97.02909	2.2
98.97594	3.6
101.00884	17.1
104.10767	1.0
106.24193	0.8
107.03017	0.8
109.02885	1.6
110.97545	1.0
112.99167	1.0
113.00851	4.5
114.20160	0.9
115.02475	1.9
119.01933	21.4
122.01322	1.0
127.02457	4.8
127.03866	1.4
131.01909	16.0
133.03479	3.5
137.00912	1.1
137.01915	1.2
137.02927	1.5
139.02414	2.6
140.06834	1.0
143.01904	28.4
143.03036	1.4
145.03476	11.2
145.04630	1.4
145.04994	1.4
147.01508	1.0
147.05103	1.0
149.02959	1.7
153.03938	1.0
155.01898	29.3
157.03468	9.5
158.99634	1.4
159.01440	2.1
159.05003	1.3
161.02966	20.2
163.04532	1.1
167.01894	12.7
169.03500	4.6
171.05086	3.2
173.02969	39.8
175.04572	3.2
177.01117	1.0
177.02388	4.1
177.06097	0.9
179.01909	5.9
181.03535	1.4
183.01389	3.8
183.05080	2.1
185.02965	47.3
187.04536	4.2
191.03958	1.7
197.02982	18.3
199.04507	1.1
201.02454	67.9
202.02635	1.4
203.04008	15.4
209.03006	3.5
211.04559	1.3
213.02461	14.4
215.04016	8.0
219.03516	84.9
220.03644	1.2
221.05119	2.5
221.56961	1.0
224.04260	1.5
225.02495	2.2
227.04028	13.2
229.05527	1.2
230.57593	1.3
231.03528	12.5
231.07253	0.9
233.05029	1.9
233.98093	1.1
237.02554	3.9
237.04367	1.5
239.04019	2.0
242.05197	1.8
243.03571	3.8
245.05084	100.0
246.05139	1.7
249.04553	9.2
255.03539	4.9
257.05090	7.9
261.04678	17.5
263.06168	11.7
273.04532	2.1
275.06100	13.7
275.09006	1.5
277.07675	3.3
279.05701	5.6
285.04578	2.3
287.06299	0.9
291.05450	1.3
293.07123	2.8
295.08844	1.2
303.05618	31.3
304.05490	1.0
305.07153	11.0
310.48224	1.1
312.02338	1.1
321.06686	45.7
335.08228	5.5
339.07727	1.8
347.08109	1.3
365.09360	14.5
396.39911	1.0
483.11957	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.9
55.05507	1.4
57.03443	3.0
60.08164	5.8
60.91071	0.7
61.02922	1.5
67.05495	2.3
69.03433	5.1
69.07048	1.5
69.47069	2.3
69.47492	1.9
70.06580	2.3
71.01344	0.8
71.04988	2.0
71.07392	2.9
72.08144	0.7
73.02921	6.5
79.05479	2.6
81.03407	2.3
81.07063	7.2
83.04985	1.7
83.08643	0.9
84.08147	1.0
85.02908	10.6
85.06548	1.4
86.09709	32.0
87.04484	1.0
91.05473	4.1
93.07052	11.5
95.04986	1.7
95.08624	3.8
97.02902	8.3
97.06528	1.2
98.97555	0.8
98.98457	2.4
99.04435	0.9
103.03934	1.0
104.10735	2.9
105.07019	2.5
107.08601	10.2
109.02856	1.7
109.10143	1.7
115.03937	4.5
119.08563	2.0
120.08076	0.9
121.10130	0.8
124.07637	0.7
125.00005	22.3
127.03919	3.0
129.07022	0.8
131.08553	1.6
132.47885	0.7
133.04994	5.7
133.10139	1.9
135.07985	0.6
135.11697	9.5
137.06026	0.9
137.13243	2.3
145.04944	4.3
145.43756	0.6
147.11714	1.0
149.09593	0.8
152.07039	1.1
153.12749	2.7
157.10126	0.8
163.06033	1.9
171.13792	2.8
175.11209	0.8
179.05542	1.6
184.07352	100.0
193.12263	1.3
217.78308	0.7
223.05896	0.8
259.08127	1.2
260.16693	0.6
262.41632	0.7
267.16003	1.8
285.16937	3.5
295.10147	1.8
464.19904	0.7
482.15341	0.8
482.21512	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	483.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49654	1.2
57.03430	2.0
60.08154	1.2
69.03438	5.3
71.51929	1.5
74.09719	2.9
81.03425	2.3
82.99857	2.5
83.53345	1.1
85.02909	10.0
86.09695	2.2
94.99872	2.2
97.02897	5.4
99.04469	1.4
101.00894	15.8
103.02496	1.3
104.10747	15.4
109.02898	1.7
113.00910	5.1
115.02423	8.3
118.08665	2.2
119.01931	18.6
127.02429	3.6
127.03947	5.5
129.03989	2.7
131.01918	12.6
133.03481	18.4
137.02962	1.8
139.02428	1.9
140.06796	7.7
140.54333	2.0
141.03859	1.4
141.07211	2.9
142.54086	5.6
143.01909	27.2
145.03476	13.4
145.04921	3.2
147.05011	5.0
147.40666	1.4
149.54886	10.6
150.04982	1.6
151.54622	4.1
155.01906	25.1
157.03488	9.2
158.55420	4.5
159.01428	2.4
159.05031	13.0
161.02951	19.3
162.02940	1.4
167.01895	12.7
168.74997	1.3
169.03549	6.3
170.55450	2.4
171.05093	2.9
173.02969	42.4
175.04599	3.2
177.02426	3.3
177.06093	5.3
179.01936	4.2
181.03415	1.6
183.01379	3.0
183.05130	1.9
184.04826	1.9
184.07381	3.2
184.55188	1.8
185.02969	44.8
186.03183	1.6
187.04550	5.2
191.07767	2.2
191.55836	1.4
195.07213	3.7
197.02980	15.3
199.04494	1.9
200.07660	7.0
200.56456	3.1
201.02472	63.0
201.06250	2.0
201.07803	13.3
203.04056	12.6
209.03006	2.8
209.08691	2.2
211.04439	2.3
213.02426	12.5
215.04010	7.7
219.03523	79.2
220.06735	1.4
220.57043	1.6
221.05061	3.4
221.57013	12.6
222.07147	4.8
223.04526	1.8
225.02460	1.7
227.04030	13.3
229.05515	1.4
230.57515	26.6
231.03534	12.5
231.07381	7.3
237.02509	2.9
239.03940	2.2
241.05678	2.8
243.03586	2.8
243.06941	2.7
245.05090	100.0
246.05286	3.1
249.04504	7.1
255.03494	4.1
257.05072	5.3
258.11151	3.7
259.06628	2.3
261.04562	17.6
263.06140	9.7
271.06656	3.6
273.04572	2.8
274.08435	1.6
274.58362	2.3
275.06091	11.8
277.07779	3.1
279.05545	3.7
285.04343	2.6
286.07480	1.5
293.07135	3.4
295.12357	2.0
298.08896	2.0
303.05634	31.7
303.08853	1.4
305.07153	11.0
311.59995	2.5
312.10376	2.4
315.05716	4.2
321.06714	41.9
333.06808	2.3
335.08185	5.9
347.08252	25.8
365.09344	12.8
367.24432	1.4
397.13397	2.3
457.02496	1.3
483.11807	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01867	1.8
55.05515	7.3
57.03442	5.6
61.02914	3.0
67.05509	8.6
69.03437	4.7
69.07053	2.1
70.83910	1.8
71.04995	7.5
73.02918	3.9
73.06553	1.4
78.15172	0.8
79.05499	9.2
81.03420	37.3
81.07058	16.3
83.04988	7.1
83.08154	1.1
83.08620	14.9
85.02913	18.8
85.06533	0.8
91.03971	1.8
91.05489	11.5
93.07045	12.1
95.04975	14.0
95.08627	4.7
97.02894	7.9
97.06543	1.8
99.04447	0.9
105.07042	7.8
107.04964	3.3
107.08588	6.5
109.06513	2.3
109.10141	2.4
111.04432	1.6
111.08077	6.4
113.06017	0.8
115.03938	2.5
117.06985	1.2
119.08594	7.9
121.10151	3.0
123.08070	1.8
127.03911	3.3
129.07025	4.5
131.08539	4.4
131.95961	1.1
133.04987	3.5
133.06445	1.3
133.10127	4.5
135.11703	9.5
137.09627	1.1
142.07767	1.4
145.04945	3.2
145.10187	0.9
147.08061	1.8
147.11681	7.0
149.09708	1.5
153.12753	48.8
157.10147	7.0
163.06065	1.9
165.12729	2.2
165.26270	0.9
175.11197	10.8
193.12247	40.6
197.66580	0.8
211.13304	33.7
215.06976	0.9
229.14413	1.7
241.07121	1.4
259.08066	1.6
267.15878	13.1
274.02988	0.9
285.16974	100.0
286.17316	1.2
295.10193	0.8
324.95703	0.9
346.12506	0.8
429.20773	1.3
482.26038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61258	0.9
53.03934	1.8
55.01878	8.8
55.05513	4.6
57.03439	14.0
57.07063	1.7
59.04998	2.8
60.08150	2.5
61.01289	0.9
61.02928	10.2
67.05512	6.1
69.03437	25.5
69.07068	12.0
70.06586	1.7
71.01340	2.6
71.04996	14.7
72.92809	0.9
73.02924	33.5
73.06554	2.4
73.10625	0.9
79.05493	6.2
79.29237	0.9
81.03423	8.8
81.06601	1.1
81.07059	19.0
83.04996	1.9
83.08611	3.7
85.02911	66.7
86.09714	12.0
87.04475	4.8
91.03986	2.0
91.05494	8.1
93.07046	19.3
95.04982	2.7
95.08617	7.2
97.02897	46.8
97.06536	2.3
99.04451	3.4
99.08112	1.0
103.03947	3.6
105.07033	6.5
107.04949	1.4
107.08598	20.6
109.02887	7.3
109.06512	3.8
109.10166	6.3
110.20439	1.1
111.04411	1.3
111.08058	1.8
115.03931	18.5
117.06998	1.9
119.08593	10.9
121.06496	2.2
121.10145	3.0
121.68123	1.0
121.75552	1.0
123.08112	1.5
125.00006	7.5
125.13268	3.7
127.03931	17.4
131.08553	3.1
133.04974	24.0
133.06494	1.2
133.10089	3.7
135.11699	27.0
136.06242	1.1
137.13235	1.6
143.08641	1.6
145.04971	21.3
145.10144	2.8
147.08044	2.3
147.11684	2.7
149.09641	1.1
153.12756	100.0
155.14372	1.2
159.08058	1.8
159.11725	1.1
161.09627	1.8
163.06053	11.5
163.11186	1.2
165.12794	7.3
167.72772	0.8
171.07965	1.1
171.13760	1.2
173.09573	3.1
173.13264	1.1
175.11171	1.4
177.12779	2.1
182.78081	0.9
184.07350	32.3
189.12733	1.5
191.10728	1.5
193.12265	1.2
195.13840	2.4
199.06149	1.9
207.13852	3.5
209.56012	1.1
211.13252	1.6
217.07005	1.9
219.13840	1.3
223.06105	2.8
229.24924	1.6
237.14940	1.1
241.07042	5.1
243.13847	1.4
249.14954	1.1
259.08087	10.9
261.14914	2.6
267.15872	4.0
277.09216	2.9
279.15942	2.3
285.17007	12.8
295.10199	7.3
297.17084	4.5
315.18045	18.3
333.19141	8.1
482.14948	2.2
482.20822	2.2
482.26611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01870	1.1
55.05316	0.6
55.05516	6.4
56.96588	0.7
57.03412	1.2
57.07062	2.6
61.02911	1.3
67.05498	2.0
69.03426	6.3
69.07071	62.9
71.05006	4.7
71.08634	2.2
71.54475	0.9
73.02903	2.1
76.22656	0.7
79.05468	0.7
81.03427	5.6
81.07043	0.9
83.04965	0.7
83.08621	2.6
85.02444	1.0
85.02910	12.9
85.10156	1.7
87.00842	6.4
89.06042	1.6
93.07048	1.3
97.02902	7.0
97.06540	1.1
98.42563	0.7
99.04460	2.6
101.19758	0.7
105.01859	4.6
106.25035	0.6
109.02889	4.9
111.11725	100.0
117.01871	0.7
119.08519	0.7
124.11393	0.7
124.12386	0.7
127.03929	9.1
129.01843	1.0
129.12729	4.6
130.99031	0.7
136.57701	0.7
145.04950	4.1
147.11713	0.7
159.02969	3.3
199.16946	43.5
217.17996	26.3
217.20100	1.4
231.05037	1.8
254.84833	0.8
319.10342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92044	1.5
53.03943	5.7
55.01865	5.4
55.05518	10.7
56.96540	1.8
57.03437	5.0
57.07075	16.9
59.04998	3.3
60.09060	1.6
61.02927	2.4
67.05500	5.1
69.03433	21.0
69.07071	60.7
70.07504	6.2
71.04996	6.2
71.08644	9.3
72.08152	1.4
73.02919	4.6
73.06557	11.3
79.05490	3.4
81.03422	16.1
81.07054	2.3
83.08616	2.7
85.02910	50.2
85.10178	6.1
85.84488	1.4
87.00835	27.2
89.06026	25.6
97.02899	29.4
98.97544	1.9
99.04459	6.7
105.01874	36.0
105.03313	1.7
105.07021	3.5
109.02881	12.8
109.10152	1.8
111.11723	90.3
119.08582	1.7
127.03930	36.9
129.12759	100.0
133.10086	2.6
145.04959	18.9
145.16164	1.4
159.02916	7.0
161.06783	1.5
166.29729	1.5
170.15356	1.6
199.16931	22.0
213.03957	3.8
217.17969	19.1
231.05019	13.1
249.06026	4.0
256.15671	1.9
276.81207	1.5
359.16833	4.3
413.92871	1.6
461.62549	1.7
482.27335	1.6
482.34448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
53.58249	1.5
55.01876	4.3
55.05502	6.8
56.72590	1.5
57.03425	3.0
57.06882	1.3
57.07079	14.0
59.04990	2.5
61.02920	3.9
64.67495	1.5
67.05499	2.6
68.20596	1.8
68.99751	1.5
69.03432	17.9
69.07075	46.7
69.35326	2.7
69.35733	10.6
71.04993	7.3
71.08636	10.3
73.02900	5.1
73.06580	8.7
79.05479	2.2
81.03421	18.0
81.07044	3.1
82.07352	1.8
83.01361	1.7
83.04410	1.4
83.04964	1.6
83.08617	3.1
83.21250	1.5
85.02910	49.2
85.10178	4.7
87.00838	24.6
89.06038	27.6
91.03983	1.4
91.05494	3.1
92.85455	1.4
93.07027	2.2
95.08579	2.0
97.02901	29.7
97.06533	2.5
98.20824	3.2
99.04456	6.7
105.01875	35.0
105.07043	2.4
109.02880	17.8
109.10122	1.7
109.57598	1.4
111.11732	75.6
117.01858	2.6
121.10223	1.7
123.11765	1.8
127.03928	36.0
129.12764	100.0
145.04977	20.4
147.11659	1.5
159.02913	8.4
192.82503	1.6
199.16943	20.6
213.03970	2.1
217.17996	20.9
230.64369	1.6
231.05017	14.8
249.06035	4.4
359.16779	2.1
482.27939	4.4
501.72757	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05502	0.6
56.05035	0.5
57.03439	0.7
58.06619	0.4
60.08166	6.0
61.02916	0.2
67.05495	0.7
69.03431	0.5
69.07048	0.4
69.91883	0.5
69.92284	0.7
70.06596	0.8
70.79063	0.2
71.04987	0.3
71.07374	2.8
79.05499	0.6
81.03416	0.7
81.07050	1.0
83.04984	0.5
83.08625	0.4
85.02892	1.3
85.15137	0.2
86.09706	30.0
87.10088	0.3
91.05488	0.9
93.07021	1.1
95.04970	0.7
95.08614	0.6
97.02894	0.5
97.06596	0.5
98.20812	0.3
98.98463	3.0
99.00788	0.4
104.10742	2.5
105.07027	1.0
107.04919	0.3
107.08608	0.7
109.02887	0.3
109.06506	0.3
109.10168	0.3
111.08081	0.3
113.25325	0.2
119.08592	0.7
121.06503	0.3
121.10225	0.4
123.08131	0.3
125.00006	20.9
127.03936	0.3
133.10143	1.0
135.11707	0.2
137.05937	0.3
146.49321	0.2
147.11668	0.5
152.07059	0.2
157.10144	0.3
167.10773	0.2
175.11176	0.4
179.14046	0.2
184.07343	100.0
185.07690	0.3
193.12302	0.9
195.22818	0.2
211.13347	0.4
227.47908	0.2
235.59592	0.2
242.67767	0.2
267.15939	1.1
285.16949	2.4
361.04504	0.3
464.20462	0.9
482.21600	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	482.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
55.05496	0.6
56.05040	0.5
57.03440	0.4
58.06625	0.6
58.09570	0.2
60.08164	5.9
67.05499	0.8
69.03436	0.3
70.06584	0.8
71.07375	2.5
79.05503	0.5
81.03414	2.4
81.07070	0.9
82.79703	0.2
83.04981	0.4
83.08609	0.6
84.08154	0.2
84.34345	0.2
85.02901	0.7
86.09708	30.6
91.05489	0.8
93.07035	0.6
95.04965	0.8
95.08570	0.3
97.02892	0.3
97.06527	0.3
98.21636	0.4
98.97585	0.3
98.97827	0.3
98.98457	3.0
104.10748	3.6
105.07038	0.5
107.08595	0.5
109.06535	0.3
109.10180	0.5
109.87684	0.2
119.08578	0.3
125.00008	21.8
131.04930	0.3
133.10150	0.4
135.11679	0.4
145.02840	0.3
147.11777	0.3
149.09665	0.2
175.11209	0.3
177.05489	0.6
184.07346	100.0
185.07744	0.5
193.12228	1.8
211.13388	0.3
258.11227	0.3
267.15878	1.3
285.16983	2.0
288.10211	0.2
297.93024	0.3
336.62628	0.2
353.83801	0.2
464.20621	1.4
474.69955	0.2
482.21609	7.3
483.15033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01868	1.5
55.05513	9.4
55.62731	1.2
57.03432	3.3
57.07060	3.8
60.08177	6.2
60.62609	1.2
65.06749	1.4
67.05508	35.1
69.07069	13.1
71.07364	3.0
71.53802	1.3
71.54154	1.6
71.55808	1.1
72.07698	1.5
73.02917	1.4
79.05498	8.2
81.03422	8.1
81.06598	2.4
81.07059	34.9
83.04993	2.3
83.08607	6.0
86.09712	26.7
87.10038	5.8
91.05478	6.4
93.07068	8.0
95.04966	4.6
95.08617	26.1
97.06522	1.8
97.10166	3.9
98.98474	17.0
105.07028	4.2
107.08591	3.4
109.06557	1.8
109.10177	10.9
119.08550	4.3
121.10121	4.9
123.08039	1.6
123.11713	3.2
125.00003	22.5
126.00348	1.5
131.08528	1.5
133.10127	3.6
135.11649	2.6
147.11729	2.1
151.11168	1.7
155.01045	10.0
184.07356	91.8
185.07704	26.4
190.83539	1.4
217.19470	3.6
229.04837	2.0
235.20534	3.9
264.45499	1.4
309.24252	100.0
445.23578	2.9
463.30255	1.8
481.30719	2.6
491.74924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.4
58.91273	0.4
60.04533	4.9
67.05496	0.8
69.83710	0.7
69.84106	1.1
70.02952	0.6
70.06594	1.0
72.08173	0.4
75.21151	0.4
79.05495	0.9
81.07032	0.9
82.07449	0.3
83.04971	0.6
84.04501	0.7
84.08115	0.5
85.02898	1.0
86.09709	22.7
87.05599	5.1
87.57930	0.4
87.84800	0.4
91.05478	1.3
93.07049	1.8
95.04986	0.6
95.22125	0.3
97.02882	0.4
97.06544	0.4
97.41719	0.3
98.00243	0.3
103.05482	3.1
105.07072	0.6
107.04971	0.5
107.08576	0.5
111.08146	0.3
119.08597	0.5
119.51937	0.4
120.08108	100.0
121.06505	0.4
121.08426	0.6
121.10154	0.8
124.99979	0.7
128.10713	2.5
134.04533	0.9
135.11745	0.5
145.10094	0.5
163.11273	0.4
164.07045	0.4
173.12863	28.2
174.13139	0.5
184.07376	3.9
201.12344	12.7
211.13364	0.4
245.19815	0.4
265.14377	0.4
275.17630	0.4
281.11331	31.7
283.15457	2.0
284.15912	0.4
285.16974	0.9
301.16541	1.2
303.17108	2.1
348.19312	2.5
390.80847	0.4
481.16779	2.6
481.20630	0.5
481.22769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06371	0.3
51.44906	0.4
53.44984	0.4
54.01083	0.4
55.01857	0.4
55.05505	0.6
57.03422	0.5
60.04528	5.7
63.59568	0.4
67.05500	0.9
69.03436	0.4
69.07076	0.5
70.02951	0.4
70.06580	1.7
71.04994	0.5
71.54345	0.4
79.05484	0.9
81.03410	0.6
81.07060	1.4
83.04945	0.5
83.08597	0.6
84.04485	0.5
84.08161	0.5
85.02906	1.3
86.09710	23.4
87.05598	5.5
88.73342	0.4
91.05482	1.3
93.07053	2.0
95.04949	0.8
95.08604	0.7
97.02939	0.6
103.05479	3.8
105.07038	1.0
107.04990	0.6
107.08573	0.6
111.04483	0.7
119.08580	0.5
120.08110	100.0
121.06451	0.4
121.08406	0.5
121.10147	0.5
125.00000	0.4
126.05507	0.4
127.03955	0.5
128.10710	3.3
131.08611	0.4
134.04448	0.5
135.11670	0.6
136.07605	0.9
137.05992	0.5
138.09152	0.6
141.48369	0.4
145.10129	0.6
157.10201	0.5
163.11192	0.7
164.07094	0.6
173.12871	26.2
184.07350	4.1
187.10971	0.4
193.12234	0.6
196.67340	0.4
201.12332	12.7
203.07037	0.6
261.16104	0.7
263.24643	0.4
275.97006	0.5
281.11331	33.9
283.15405	1.5
284.15900	0.4
285.17136	0.7
301.16324	1.3
303.17035	1.4
348.19165	3.0
404.68973	0.4
481.16470	3.3
481.22800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05510	0.9
55.20975	0.4
62.06091	0.6
67.05499	1.1
67.95650	0.4
69.03436	1.2
69.07065	0.8
70.69038	1.2
71.04991	0.9
79.05499	0.9
81.03426	1.1
81.07053	4.0
83.04955	0.4
83.08637	0.6
85.02911	1.4
85.06541	0.8
86.09707	2.6
87.00828	0.7
91.05484	0.9
93.07058	1.2
95.08616	2.5
97.02903	0.7
97.78476	0.5
98.97607	1.1
99.04440	0.5
99.08102	0.5
105.07049	1.3
107.08619	1.4
109.10165	1.4
119.08584	1.3
120.08134	0.8
121.06516	1.6
123.11725	0.8
127.03934	1.1
130.06575	0.9
131.08556	0.7
132.04420	0.6
133.10130	1.3
135.08060	1.2
137.06001	1.5
145.10129	1.0
145.87563	0.4
149.09656	0.6
153.01819	0.7
158.06046	0.6
159.08037	1.5
159.11708	0.5
161.09637	0.6
163.11221	0.9
171.11623	0.5
175.14877	0.6
177.09120	0.5
179.17877	0.5
187.14836	1.2
197.19022	2.0
202.03781	0.4
215.14281	1.1
215.20082	1.1
227.05423	0.8
233.15265	5.1
233.21082	0.5
271.04309	0.9
275.16272	0.9
284.15741	1.6
289.05307	0.7
293.15808	0.5
298.62543	0.4
299.14075	0.4
350.15277	0.8
372.17133	0.5
377.19321	0.6
395.20389	8.7
413.20267	1.6
419.20386	1.5
421.05743	0.8
437.21512	20.4
438.21936	0.6
481.20486	100.0
482.20950	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	481.2052
Annotation	Briarlide H
Peak:m/z	Relative Intensity
53.03931	0.8
55.05506	1.2
67.05519	3.4
69.03422	2.0
69.07073	2.6
70.36726	0.7
70.37067	1.7
79.05486	2.2
81.03420	1.4
81.07051	3.2
83.04958	0.8
83.21666	0.6
85.02896	2.2
85.06566	0.7
86.54684	0.5
91.05478	2.4
93.07021	3.1
95.04951	1.2
95.08592	2.8
97.02924	1.3
97.06532	2.4
97.10159	0.6
98.97578	1.2
99.08018	0.5
105.07037	2.9
107.08602	3.0
109.02916	0.9
109.10178	2.8
112.99124	0.6
116.98629	0.7
117.06999	1.1
119.08586	4.1
121.02624	0.5
121.10144	0.7
123.11710	1.1
127.03931	0.9
129.06960	0.6
131.08578	2.5
133.10135	1.6
135.11687	1.4
137.05968	3.0
137.09616	0.7
145.04939	0.6
145.10132	2.2
147.08083	0.5
147.11702	1.3
149.09541	0.6
149.13269	0.7
151.63948	0.5
153.01839	0.7
157.10141	0.8
159.11696	1.0
161.13303	0.7
163.03888	0.6
171.11745	0.8
173.09685	0.9
173.13234	1.5
175.14853	2.4
182.15363	1.0
185.04201	0.8
203.05367	1.3
210.14940	0.7
215.14270	2.1
223.30208	0.6
227.05319	0.6
233.15204	2.1
245.06329	4.3
259.09558	0.8
271.04111	1.0
274.25259	0.6
289.05338	19.5
354.09149	0.5
380.77979	0.6
390.24484	0.5
395.20462	3.1
419.20425	1.7
436.09329	0.5
437.21503	7.9
463.19412	8.5
481.20459	100.0
482.20401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Briarlide H
Peak:m/z	Relative Intensity
55.01880	0.5
55.05511	1.1
56.96564	0.5
57.03409	0.6
65.03928	0.4
66.81203	0.5
67.05501	1.7
69.03423	0.9
69.07065	1.7
70.06599	0.5
71.04989	0.6
71.54057	0.4
79.05486	1.9
81.03403	1.1
81.07067	2.1
83.05002	0.8
83.08659	0.7
85.02910	1.1
85.06550	0.5
86.09721	1.0
91.05489	1.4
93.07043	2.2
95.05004	0.5
95.08624	2.2
97.02904	0.4
97.06529	1.7
98.97561	0.5
99.08116	0.4
105.07040	1.8
107.08607	2.6
109.10152	1.8
111.08021	0.5
119.08595	3.4
121.10109	1.3
123.08070	0.6
124.99996	0.7
127.03947	0.6
129.06966	0.4
131.08583	0.8
133.10164	2.2
135.11679	0.8
137.05998	1.4
137.09634	0.7
145.10143	1.1
147.11610	0.6
163.03957	0.9
175.14856	1.4
184.07368	3.0
185.07733	1.0
186.09901	0.4
187.14830	0.4
203.05333	1.5
215.07092	1.0
215.14233	1.2
219.76340	0.5
227.05261	1.9
233.15298	3.0
245.06339	5.4
259.09708	1.4
271.04343	0.5
274.02448	0.4
287.03909	0.5
289.05310	16.8
319.24384	0.5
377.19373	0.8
395.20554	3.7
419.20581	2.6
437.21548	10.3
463.19397	15.2
481.20474	100.0
482.20712	1.9
493.21011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30087	0.4
55.05488	0.8
57.07057	0.5
62.86006	0.5
67.05476	1.8
69.07043	1.5
70.81324	1.3
79.05472	0.9
81.07056	1.1
91.05443	1.5
93.07030	0.9
95.08619	3.8
105.07042	3.2
107.08569	1.5
109.10164	4.3
119.08596	11.9
127.00043	0.6
131.08536	0.6
133.10147	12.9
135.11684	1.8
137.09618	0.8
137.84346	0.6
140.57315	0.5
145.10097	1.3
147.11710	2.8
149.13234	0.7
150.19678	0.5
151.14795	0.9
175.14828	7.6
185.04248	0.6
188.06479	0.5
203.05232	2.0
227.05267	0.9
245.06369	6.7
271.04309	1.3
284.15771	0.8
287.03796	4.4
289.05319	100.0
290.05719	0.5
319.07104	0.9
437.21381	1.7
481.20505	85.7
482.20926	1.6
493.08340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2047
Annotation	Briarlide H
Peak:m/z	Relative Intensity
55.01863	0.8
55.05506	2.5
57.03424	1.4
61.02921	1.3
64.50376	0.6
67.05499	2.1
69.03431	2.1
69.07060	1.3
69.17049	6.4
70.06600	0.9
72.08165	1.1
76.55352	0.6
79.05489	1.1
79.12060	0.6
81.03408	1.3
81.07056	2.0
83.01353	1.0
83.04974	0.8
83.08613	1.1
85.02906	3.1
86.09709	1.3
91.05476	2.9
93.07043	3.0
95.08614	2.5
97.02893	1.8
97.06506	1.0
105.07023	3.8
107.08627	2.3
109.06573	0.8
110.91491	0.7
117.07039	0.7
119.08585	5.1
121.10141	1.6
123.08064	0.9
127.00060	0.7
127.03938	0.9
131.08501	1.0
133.10136	5.9
135.11729	1.3
137.06003	1.7
145.10117	1.3
147.11703	0.8
155.08511	1.0
156.86203	0.7
159.11661	1.2
162.30476	0.7
163.11229	1.7
164.11479	0.7
175.14841	5.1
181.12280	1.0
184.07368	1.7
203.05432	1.0
208.59828	0.8
227.05374	0.8
227.12724	0.8
228.13287	0.9
233.15228	1.2
245.06371	2.5
258.84863	0.7
271.04208	1.5
283.15454	3.0
284.15710	8.3
287.03711	0.9
289.05313	45.3
395.20602	1.8
419.20447	2.9
437.21619	9.6
463.19409	20.8
463.25784	1.5
481.20511	100.0
482.20663	1.2
482.70230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01882	4.7
55.05517	7.7
57.03447	4.4
57.07069	0.7
59.05000	1.3
60.08154	2.9
61.02920	2.7
67.05508	5.5
69.03408	1.8
69.07069	2.0
69.45929	4.8
70.06578	2.1
71.04980	2.5
71.07372	1.9
79.05491	8.3
81.03428	5.6
81.07074	7.9
83.01344	5.8
83.04998	6.9
83.08617	6.4
85.02901	6.1
86.09714	14.4
91.03954	1.3
91.05486	7.2
92.46749	0.8
93.07052	13.1
95.04965	3.1
95.08617	4.5
97.02879	1.8
97.06532	3.1
98.98441	1.3
99.04483	1.8
104.10738	2.4
105.07033	3.9
107.04975	4.7
107.08594	6.2
107.58992	0.7
109.02857	0.9
109.06487	4.2
111.04431	3.6
111.08080	1.2
117.07043	3.7
119.08594	5.9
121.06493	1.6
121.10152	4.3
123.08060	4.5
125.00008	10.6
127.03916	1.3
131.08549	1.7
133.10144	2.1
135.08058	1.2
135.11697	7.3
137.09610	1.3
145.10147	9.4
147.08083	2.1
151.11232	0.9
153.12727	3.6
155.08578	1.4
163.11200	18.2
173.09669	2.8
181.12268	3.4
184.07353	55.4
191.10710	3.4
209.11714	8.6
227.12825	7.9
283.15421	100.0
301.16516	1.1
315.95535	0.8
319.58176	0.9
388.05759	0.8
436.20248	3.0
480.18530	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.7
55.05297	1.0
55.05521	8.3
56.96566	1.8
57.03437	4.4
59.05009	1.2
61.02921	2.7
62.06096	4.4
64.64780	0.9
67.05508	7.8
68.49531	0.9
69.03434	3.0
69.07072	2.7
70.06580	3.5
71.04995	4.8
71.54230	1.8
72.08140	1.5
73.02926	1.6
79.05500	9.8
81.03423	8.5
81.07070	8.2
83.01354	4.1
83.04984	6.3
83.08607	6.1
84.04510	1.2
84.08144	1.7
85.02901	7.7
85.06522	1.4
86.09705	4.8
91.05500	7.1
93.07058	14.6
95.04984	4.5
95.08614	4.2
97.02898	4.1
97.06534	3.9
97.10149	1.2
98.97607	2.6
99.04456	2.8
104.10752	1.3
105.07001	5.8
107.04964	6.1
107.08594	7.3
109.02880	2.3
109.06523	4.2
109.10163	3.3
111.04453	2.8
111.08076	1.4
117.07015	5.6
119.08586	5.8
120.08143	1.4
121.06534	2.4
121.10141	5.3
123.08047	4.7
125.05986	1.8
125.09631	1.3
127.03944	2.7
128.71019	1.0
131.08569	2.4
133.10121	1.9
135.08096	1.3
135.11726	8.8
137.09671	1.6
145.10149	9.8
147.08086	2.5
151.18889	1.0
153.12772	5.4
161.09682	1.9
163.11172	19.6
165.09052	1.1
173.09714	2.9
181.12209	4.6
184.07393	3.3
191.10718	4.2
209.11742	11.6
216.93524	1.0
224.46724	1.0
227.12825	10.8
237.02869	1.4
238.97437	1.0
283.15417	100.0
301.16568	2.5
342.49933	1.1
353.16019	2.2
371.17331	1.2
394.19006	1.6
418.94635	1.1
436.20261	3.5
480.19186	21.5
481.20267	6.1
505.64493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36370	0.3
53.03940	0.6
55.01870	1.4
55.05513	3.5
57.03441	3.0
61.02910	1.7
67.05512	4.1
69.03429	1.2
69.07081	2.3
69.16463	2.7
69.16888	1.2
71.04982	1.2
73.02923	2.3
76.26963	0.3
79.05495	7.7
81.03426	2.9
81.03837	0.6
81.07060	7.0
83.01358	0.8
83.04986	1.8
83.08620	4.0
85.02911	2.2
85.06559	0.5
86.09690	0.8
91.03938	0.6
91.05495	3.1
93.07047	10.8
95.04983	2.9
95.08613	13.5
96.36249	0.4
97.02910	2.7
97.06507	0.8
97.10169	0.7
98.97588	1.0
99.04436	1.3
105.07039	3.2
107.04950	3.6
107.08595	10.0
109.06522	0.9
109.10178	1.7
111.04425	0.9
111.08067	0.6
117.07014	2.8
119.08575	4.2
121.02889	0.6
121.06519	2.1
121.10145	5.6
123.08068	0.8
123.53549	0.3
125.05983	1.6
127.03886	0.5
130.07784	0.4
131.04852	0.4
131.08566	0.5
133.10121	1.4
135.08064	1.0
135.11700	20.8
139.07521	0.6
145.10127	11.6
153.12756	0.6
155.08548	0.4
163.11188	31.9
173.09586	0.6
175.80577	0.4
181.12250	7.3
184.07359	0.4
191.10715	0.7
193.12297	0.4
194.12570	0.7
209.11679	1.6
227.12793	40.4
227.70187	0.4
228.13196	0.5
268.16327	0.6
283.15405	100.0
284.15683	0.7
287.05511	1.2
300.03531	0.4
301.16653	0.5
414.12497	0.8
445.20639	1.4
446.36560	0.4
462.26947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48776	1.2
53.03943	7.4
55.01879	9.3
55.05508	7.4
57.03439	8.0
61.02915	5.0
62.92122	1.6
67.05513	12.1
68.99770	4.1
69.03433	34.8
69.07078	7.4
69.23886	3.0
69.24290	10.4
71.04974	6.7
73.02898	5.7
79.05493	7.5
81.03418	30.5
81.06600	1.9
81.07058	31.3
83.04966	3.2
83.08621	8.0
85.02907	87.6
85.06006	1.3
85.06544	5.1
87.00835	38.7
91.03995	1.5
91.05489	9.1
93.07056	8.6
95.04980	2.3
95.08605	36.5
97.02895	32.0
97.06538	10.0
97.10156	6.6
98.97553	2.3
99.04469	13.1
99.08070	5.5
101.09229	1.4
105.01198	2.9
105.01868	38.4
105.07024	14.2
106.98103	1.5
107.08583	5.7
108.04448	1.6
109.02887	35.6
109.06516	1.8
109.10115	3.5
111.08093	2.6
113.09606	1.6
115.07520	1.5
117.01886	2.5
119.08575	15.5
121.10126	5.9
123.08064	3.1
125.09617	2.6
127.03921	56.7
128.06178	1.5
129.01828	4.3
133.10159	11.9
135.11694	8.2
137.09656	1.7
137.13251	11.8
145.04965	20.6
147.02905	2.0
149.09619	1.9
151.07550	6.5
159.02890	12.3
159.11690	2.3
161.13260	57.7
163.07486	2.0
171.11774	1.7
179.14314	100.0
197.15369	59.6
197.60687	1.6
213.03905	5.5
215.16418	19.3
225.14844	2.2
231.04958	13.4
249.06075	1.9
259.09576	1.6
260.10318	1.6
287.16394	4.2
305.17426	10.2
323.18488	6.6
355.08551	1.5
388.24115	2.0
409.18588	12.7
427.19537	4.0
445.19943	1.6
462.27975	2.1
480.28967	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	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76218	3.2
53.03950	4.5
55.05519	14.9
55.05735	3.3
56.57077	2.9
56.96564	3.1
57.03435	4.6
60.04520	12.1
60.52284	3.3
61.02936	4.8
62.06097	4.5
67.05496	11.8
67.46191	3.3
69.03420	13.2
69.07066	10.4
69.41122	20.7
69.41524	6.3
70.06596	9.9
71.04993	5.5
72.08144	5.5
79.05490	13.4
80.05025	4.4
81.03414	13.8
81.07058	28.0
82.85635	2.8
83.04971	10.1
83.08612	4.9
84.04513	42.9
84.08136	3.8
85.02894	16.0
85.06545	5.0
86.09724	22.0
91.05499	10.7
93.07030	20.5
95.04972	10.6
95.08623	15.0
96.04505	18.5
97.02898	9.8
97.06526	15.8
98.06069	10.4
99.04447	10.4
105.07038	11.6
107.08595	8.0
108.04495	6.3
109.02905	7.9
109.06525	14.2
109.10156	4.4
111.04487	9.0
111.08111	16.5
117.07059	3.8
119.08573	9.4
120.08120	22.2
121.06535	14.0
121.10134	5.8
123.11658	6.0
123.35299	3.1
125.06010	21.7
126.05525	49.1
127.03931	17.1
129.10239	3.5
131.08560	4.0
133.10129	14.4
136.07561	11.9
137.05988	75.3
137.07803	2.9
138.05518	100.0
139.07567	4.2
143.07043	4.7
144.06569	22.7
145.10139	5.2
147.11685	10.4
151.11156	5.1
157.10158	5.3
161.13277	5.2
163.14862	4.5
164.07071	6.2
168.06544	25.7
169.12228	21.1
171.06564	6.4
171.11758	4.1
175.11185	6.2
179.10669	27.8
181.15846	3.1
186.07605	41.3
189.12805	4.8
193.12228	8.8
197.11736	73.9
204.08717	15.9
211.13260	16.9
213.77280	2.9
217.07068	34.8
217.12260	10.5
220.62332	3.1
224.14140	5.3
228.13855	7.4
229.14308	21.0
235.13277	13.3
237.14502	7.1
237.64590	5.1
238.66299	3.7
239.14014	4.1
241.18085	4.0
246.14932	31.7
246.65070	18.0
247.15163	10.9
247.65303	5.2
248.14522	23.0
248.64948	4.1
253.14397	14.7
254.13556	5.2
259.19031	6.5
260.13651	3.2
267.16159	5.2
268.12994	7.7
269.13248	4.1
271.15225	4.2
279.16992	4.2
283.15421	12.7
301.03470	3.3
303.04855	6.7
308.81726	3.3
373.91501	3.3
387.11929	4.1
409.19006	5.6
426.25137	18.5
427.19644	13.1
430.15891	4.4
436.22009	3.5
444.25735	17.0
445.20663	12.8
462.26810	6.2
480.20462	5.3
480.32971	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	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93996	1.4
53.03961	3.9
55.01860	4.0
55.05521	8.8
56.96570	2.0
57.03433	5.1
59.39013	1.5
60.20569	1.6
61.02936	8.0
67.05508	16.6
69.03428	23.4
69.07075	6.9
70.42094	4.8
71.04999	5.6
73.02935	3.9
77.39823	1.4
79.05492	18.7
79.47897	1.6
80.38297	1.5
81.03421	13.7
81.07055	27.9
83.01393	1.6
83.04995	13.9
83.08621	6.6
85.02908	58.2
87.04476	3.0
91.03975	4.4
91.05476	12.5
93.07052	19.5
95.04993	4.7
95.08601	21.0
97.02896	22.0
97.06533	76.5
97.10162	1.8
98.97570	2.3
99.04475	5.5
104.11791	2.0
105.07035	14.9
107.04956	4.0
107.08604	17.1
109.02892	8.5
109.06521	50.9
109.10160	14.0
112.99999	2.5
116.98631	2.6
117.07042	3.8
119.08614	12.5
121.06499	10.1
121.10146	15.5
123.08086	15.7
123.11768	4.9
127.03924	17.2
127.74552	1.5
129.07024	3.1
131.08606	6.7
133.10144	14.4
135.08099	6.5
135.11745	7.6
137.09660	2.9
143.08574	4.2
145.04964	12.0
145.10120	10.4
147.08170	2.6
147.09398	1.6
147.11726	8.1
149.09637	12.7
149.13277	9.7
155.08612	2.7
156.59932	1.6
157.10179	5.0
159.11746	6.9
161.09714	2.7
161.13272	5.2
163.11198	4.6
163.14865	4.0
169.10181	2.6
171.11687	5.5
173.12013	2.0
173.13341	7.2
175.11269	3.2
175.14876	5.7
177.12801	6.5
177.16379	3.1
183.11691	3.4
184.07481	2.2
185.11771	1.6
185.13199	7.7
187.14851	2.6
189.12849	2.7
189.16374	2.4
191.14232	2.7
193.12326	3.2
196.12149	1.9
197.13445	1.7
199.14876	4.5
203.14389	3.8
203.17931	9.1
211.14980	3.7
215.17963	2.0
217.19621	3.1
225.16505	4.4
227.18031	3.5
229.16098	3.0
239.18120	3.0
241.19659	2.3
269.17487	2.8
281.22650	31.0
299.23706	100.0
317.24771	40.2
317.28271	2.5
461.28427	3.1
479.16302	1.8
479.30240	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	479.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01874	1.5
55.05509	5.8
56.96572	0.9
57.03444	6.3
57.68267	0.8
61.02925	1.6
65.03954	1.6
67.05503	13.5
69.03428	3.7
69.07067	3.4
69.43014	6.5
70.06597	1.2
71.04990	3.3
71.20061	0.8
72.08150	1.5
73.02915	1.9
75.04487	1.0
79.05502	9.3
81.03423	100.0
81.07065	13.5
83.04982	6.4
83.08625	23.3
85.02899	5.5
85.06553	1.8
86.09721	2.9
91.05489	15.3
93.07052	8.1
95.04976	31.9
95.08604	5.1
97.02364	0.8
97.02893	4.9
97.06523	2.3
97.10198	1.4
98.97596	3.1
104.12451	0.8
105.07042	9.9
107.04955	7.6
107.08591	6.4
109.02911	1.0
109.06518	3.9
109.10170	2.4
111.04451	3.0
111.08076	11.5
115.05444	1.4
117.07033	2.0
119.08595	10.6
120.08121	2.0
121.06523	3.0
121.10181	6.3
123.04429	3.5
123.08070	1.9
125.09653	1.2
127.03925	1.6
129.07013	9.6
131.08572	10.3
133.06514	3.0
133.10126	5.8
135.08084	1.2
135.11703	1.6
136.07631	1.3
137.02448	0.9
137.09656	1.5
139.03897	0.9
142.07796	2.6
145.04965	1.1
145.10138	2.6
147.04417	1.1
147.08063	2.6
147.11707	9.3
149.09618	6.0
157.10143	12.4
163.11215	2.2
165.12819	3.0
175.11194	15.0
189.05603	1.2
193.12253	94.4
195.13821	2.1
211.13310	8.8
215.06815	1.1
235.13171	2.2
249.14903	2.1
259.09616	1.0
259.13354	2.2
264.09561	0.8
267.03326	0.9
267.15924	69.1
268.16385	1.0
273.14987	0.9
277.14423	0.9
283.15439	1.4
285.16983	57.3
301.14374	3.0
309.16983	11.9
317.06570	3.4
319.15463	1.0
351.18048	1.4
363.18021	3.3
375.18073	3.2
393.19064	2.1
411.20197	1.5
429.21396	4.3
479.06427	1.7
479.12784	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	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.4
69.07064	0.7
70.06567	0.8
71.40846	0.5
71.54904	1.0
79.05503	0.7
80.34447	0.6
81.03415	1.4
81.07082	0.9
83.04987	0.7
85.02901	2.0
86.09704	1.1
95.08607	0.7
109.02906	0.9
119.08598	0.9
121.10131	0.9
127.03912	0.7
146.11110	0.6
147.11691	0.6
191.14322	0.9
214.08783	0.6
231.11316	3.0
231.13626	1.6
271.04156	0.9
317.06641	1.8
352.85260	0.7
393.18735	7.3
417.19012	1.3
435.19931	27.6
473.68176	0.7
479.18896	100.0
480.18832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34502	0.3
67.05507	0.4
69.03438	0.7
69.07068	0.3
70.06596	0.7
70.07303	1.1
71.04991	0.3
76.27991	0.3
79.05483	0.5
81.03395	0.8
81.07072	0.6
85.02895	0.6
86.09697	1.0
88.85741	0.3
91.05431	0.6
93.07054	0.7
94.22488	0.4
95.08592	0.3
97.02906	0.4
98.20787	0.4
99.04465	0.3
105.07050	0.4
107.08592	0.7
109.02861	0.3
109.10143	0.3
121.10136	0.4
127.03918	0.7
131.08586	0.4
133.10121	0.9
135.08026	0.3
135.11661	0.5
137.09689	0.6
139.20168	0.3
140.67451	0.3
143.08653	0.3
145.04932	0.3
163.03903	0.3
184.07426	1.4
196.41298	0.3
213.12625	0.7
213.18573	0.8
215.07014	1.1
227.05344	0.6
227.12715	0.3
231.13542	2.9
243.22508	0.3
245.06332	1.3
245.99715	0.3
251.08571	0.4
265.15286	0.8
271.04239	1.7
273.14468	0.3
283.15402	0.4
289.05420	3.2
291.14600	0.8
335.22888	0.6
375.17709	0.4
393.18790	7.0
411.18527	0.4
417.18973	1.3
435.13852	0.7
435.19943	20.0
479.18912	100.0
480.19125	1.7
496.98227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01862	0.3
55.05512	0.5
57.03437	0.6
61.02928	6.1
67.05498	1.6
68.99786	0.4
69.03442	2.2
69.97958	1.2
71.04974	0.8
73.02910	1.5
79.05489	1.0
81.03421	8.6
81.07046	1.3
83.04990	0.5
83.08627	1.6
84.96028	0.3
85.02437	0.5
85.02908	6.6
87.00833	0.5
87.04420	0.3
91.03951	3.3
91.05478	0.8
92.02618	0.6
93.03402	0.9
93.07020	0.5
94.31593	0.3
95.04970	2.3
97.02898	3.5
98.97585	0.9
99.04458	0.8
103.53709	0.3
105.07029	0.9
107.04936	0.4
107.08634	0.3
109.02884	1.3
109.06516	0.6
109.20067	0.3
110.47754	0.3
111.04505	0.4
111.08040	0.7
119.08592	0.7
121.02853	1.4
121.06465	0.4
121.10179	0.4
123.04447	0.4
127.03930	3.5
129.07018	0.7
131.08548	0.5
133.10094	0.6
139.03883	1.0
145.04962	0.5
147.11682	0.7
149.09596	0.4
151.03932	0.5
153.00591	0.5
153.01836	6.9
157.10094	0.8
161.05923	0.3
161.07124	0.4
163.03902	0.3
165.01906	0.5
175.11189	1.0
177.05356	0.3
193.12257	7.4
201.00586	0.3
201.05438	0.5
211.13339	0.7
213.03995	0.4
217.05022	0.8
218.05882	0.6
228.04176	1.2
229.04991	2.7
231.02757	0.5
231.97258	0.3
245.04442	1.4
246.05316	1.6
249.02951	0.4
257.04532	2.1
257.34674	0.3
267.15921	5.1
273.03867	1.6
274.04718	4.1
284.03271	0.4
285.03964	4.5
285.16925	4.4
302.04205	10.7
309.17126	0.8
313.07111	0.6
317.06570	100.0
318.06897	0.8
375.18283	0.5
393.19659	0.3
427.45978	0.3
429.21002	0.5
461.09631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.94754	0.3
52.26388	0.3
53.03947	1.0
55.01881	0.6
57.03425	1.0
61.02927	2.0
67.05499	0.4
69.03429	4.0
70.13587	1.2
70.13960	0.3
71.04990	0.5
72.08168	0.3
73.02914	0.6
81.03419	1.9
81.07053	0.5
83.61961	0.3
85.02908	10.2
86.09698	1.1
91.03954	0.7
91.05440	0.4
92.02619	0.6
93.03408	1.1
93.07013	0.4
95.04936	0.3
95.08606	0.9
97.02898	3.8
99.04453	0.7
105.07082	0.7
107.08566	0.4
108.86140	0.4
109.02884	1.2
109.10147	0.9
115.03895	0.4
119.08570	1.2
120.08121	0.6
120.08909	0.4
121.02861	0.8
127.03931	2.0
133.10130	1.3
134.10497	0.5
139.03897	0.7
145.04979	2.1
151.03923	0.7
153.01837	6.2
165.01797	0.7
171.11694	0.3
175.14880	1.1
176.15276	1.5
180.42755	0.3
194.16298	0.4
203.03383	0.6
205.02493	0.4
213.16373	1.2
217.05060	0.7
218.05844	0.5
228.04155	1.1
229.04929	2.6
231.02953	0.3
245.04443	1.0
246.05219	1.5
257.04483	2.8
260.03207	0.4
273.03976	1.8
274.04736	3.8
285.03912	4.4
302.04227	10.8
317.06567	100.0
318.06924	1.2
407.27405	0.4
479.16531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
55.83711	0.2
56.05029	1.1
58.06592	1.1
60.08166	15.7
65.32790	0.2
67.05485	0.5
69.07051	0.4
70.06659	0.2
71.06982	0.3
71.07376	5.9
71.08621	0.2
71.55007	0.2
71.55415	0.2
81.07051	1.0
81.78139	0.2
83.08623	0.3
86.09708	52.0
89.42774	0.2
95.08601	0.6
98.97985	0.1
98.98470	5.8
104.10745	100.0
105.11061	0.3
109.10126	0.3
125.00008	31.2
131.85760	0.2
133.48300	0.2
143.01109	0.3
184.07343	68.0
230.28304	0.2
315.11072	0.2
421.30673	0.2
458.41187	0.2
460.35385	2.2
478.36581	35.7
479.36990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87016	2.8
55.19129	2.9
63.84797	3.5
64.42410	3.2
67.38995	3.7
69.63317	20.2
81.58469	3.4
94.93012	5.2
98.20777	4.1
114.89406	4.5
136.94009	67.8
141.24174	3.7
148.94037	13.8
166.95088	30.5
196.96129	11.6
248.84019	4.1
256.90460	5.3
256.98328	22.7
294.28027	4.2
306.82709	3.8
306.96121	3.5
381.07965	100.0
419.03537	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.2
54.29508	1.5
55.01869	3.7
55.05507	5.6
56.96558	3.5
57.03445	6.0
61.02918	5.0
63.11267	1.5
64.34242	1.5
67.05502	12.2
67.06627	1.6
68.99789	5.9
69.03429	42.5
69.07062	3.0
71.01344	2.2
71.05002	12.3
71.54746	1.8
73.02901	4.1
79.05499	7.5
80.05781	2.1
80.71861	1.7
81.03422	53.5
81.07061	12.5
83.05000	12.4
83.08625	3.1
85.02908	68.6
85.06576	2.7
87.00836	15.3
91.05491	5.7
93.07053	6.8
95.04968	7.2
95.08601	4.3
97.02899	12.5
97.06532	6.1
98.97624	2.0
99.04449	17.9
103.03954	3.7
105.01884	5.7
105.07045	4.9
107.04971	3.6
107.08599	6.2
109.02882	44.2
109.10171	5.0
109.69373	1.7
111.04443	7.6
115.03931	1.9
117.07010	2.4
119.04846	1.7
119.08606	3.5
121.06516	2.1
121.10097	3.8
123.04469	4.7
123.08111	1.7
125.02313	3.0
125.09638	2.8
127.03925	100.0
129.05473	2.1
131.08578	2.5
133.10139	3.5
135.08107	2.0
135.11670	3.5
142.98669	1.9
145.04967	4.3
147.02812	2.4
149.09622	3.1
151.03893	3.4
151.07556	2.7
159.11652	2.6
163.03922	3.1
165.05573	2.1
169.05016	8.4
171.02911	6.6
187.06042	6.3
189.03955	8.5
211.13390	2.6
213.03961	12.3
229.07402	6.2
231.04970	10.6
235.06020	4.3
253.06963	2.5
255.05116	3.2
267.09183	2.9
273.06027	12.4
296.09955	2.3
315.10855	2.7
315.61298	2.0
339.06912	2.1
401.66562	4.0
435.19470	2.0
443.08466	4.6
461.09406	16.3
461.28769	3.3
479.19269	3.3
479.26337	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03953	0.7
55.05275	0.7
55.05516	12.8
57.03441	5.9
57.07051	1.6
57.22143	0.5
62.06045	0.6
62.58836	0.6
65.03943	0.9
67.05506	24.4
69.07072	16.6
69.79446	3.2
69.80414	0.6
70.90015	0.5
70.97880	0.6
71.08622	0.9
79.05486	6.0
81.07056	25.0
83.04959	1.7
83.08613	7.7
85.06527	1.2
91.05502	4.5
93.07048	5.9
95.08608	18.4
97.06512	1.1
97.10180	3.1
98.06092	0.7
98.20741	0.7
105.07047	3.0
107.08610	4.0
109.10159	6.6
111.11699	0.9
119.08568	2.8
121.10144	2.8
123.11754	3.1
133.10100	2.9
135.11740	1.6
147.11662	1.5
149.13271	0.7
154.47096	0.6
161.13269	1.2
170.96245	0.7
216.06355	0.8
263.23773	1.8
287.48816	0.8
306.27914	4.3
334.57941	0.6
337.27368	100.0
338.27521	1.7
342.25443	0.6
458.88379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
53.63364	0.9
55.01877	6.2
55.05510	4.4
56.96559	1.5
57.03442	4.8
57.07073	6.0
61.02927	5.1
67.05504	7.3
68.99783	1.8
69.03435	28.6
69.07069	6.1
70.06589	1.1
71.04993	5.0
71.54249	1.3
73.02927	5.2
76.00773	1.0
79.05494	32.1
80.05831	1.1
80.43015	1.0
81.03420	19.9
81.07059	9.8
83.04992	9.2
83.08603	2.4
85.02911	77.0
85.06536	8.8
87.00829	31.5
87.04440	1.3
91.03942	1.3
91.05485	7.8
92.05846	1.0
93.07049	34.5
95.04974	3.8
95.08616	6.9
97.02298	1.7
97.02898	23.7
97.06526	8.0
97.10197	2.1
97.60773	1.0
98.97569	2.9
99.04461	9.5
103.03941	1.2
105.01873	47.6
105.07035	6.0
107.04964	5.1
107.08593	15.4
108.04517	1.6
108.05274	1.0
109.02885	25.6
109.06532	1.6
109.10167	1.9
111.04450	1.0
111.08089	1.5
115.03956	1.0
117.01849	3.4
117.07036	2.2
119.08572	4.4
121.06513	3.6
121.10165	5.5
123.08125	1.7
125.05997	12.9
125.09673	1.1
127.03921	52.7
129.01849	3.1
131.08580	1.7
133.10143	11.7
134.10434	1.1
135.08116	2.1
135.11699	83.5
136.12007	1.6
139.07567	10.1
145.04962	19.0
147.02888	1.2
147.07997	1.5
147.11729	1.7
149.09593	1.0
149.13292	11.6
153.09093	2.3
153.12785	2.0
159.02901	10.1
159.11674	5.1
160.58612	1.0
163.03986	1.4
167.14389	1.6
175.11214	1.4
175.14827	1.3
177.12744	15.7
187.11179	0.9
189.03860	1.7
193.12199	1.4
195.13818	100.0
213.03966	5.7
213.14874	7.3
215.07365	1.1
231.02750	1.2
231.05043	19.1
237.02853	1.2
247.89886	1.3
249.06142	6.4
251.11345	2.2
259.09601	1.5
267.09091	1.3
269.12347	8.0
285.10147	2.6
285.14886	1.0
303.15887	1.7
350.21561	1.1
368.22934	2.3
386.24026	3.6
407.17130	2.0
429.04901	2.8
430.24777	1.2
435.19745	1.2
455.06766	1.8
460.27545	4.4
473.07202	1.5
478.18155	1.3
478.30884	2.5
479.19006	6.3
486.66077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01870	6.2
55.05515	9.1
56.96568	3.1
57.03436	6.6
61.02915	4.5
67.05494	9.1
67.84058	1.7
68.99789	4.1
69.03435	29.5
69.07061	8.1
69.53636	13.6
71.04977	11.4
71.14096	2.1
73.02898	6.2
79.05488	15.8
81.03413	23.5
81.07059	24.1
83.04964	2.5
83.08623	5.8
85.02907	65.6
85.06545	100.0
86.09710	2.6
87.00830	25.1
91.05476	11.2
93.07040	26.4
95.04943	4.4
95.08596	8.8
97.02893	24.5
97.06535	30.6
97.10173	5.0
98.97574	4.8
99.04453	11.5
102.38718	2.0
105.01864	20.1
105.07003	9.6
107.04948	3.0
107.08582	15.1
108.04434	1.9
109.02869	16.0
109.06506	3.7
109.10170	5.9
111.08090	3.8
117.01847	3.3
117.07021	3.0
119.08556	9.8
121.06538	4.7
121.10139	48.1
123.11674	2.6
125.09615	6.2
127.03917	43.7
129.07030	3.6
131.08597	4.4
133.10155	5.6
135.11684	3.6
137.09651	2.5
143.08549	2.8
143.96323	2.0
145.04955	12.1
145.06465	2.3
145.10101	2.8
147.11752	2.6
149.13269	25.9
155.08565	2.9
157.10149	3.1
159.02892	7.2
159.11696	12.3
161.06116	1.9
165.12811	4.4
167.14264	8.0
174.13620	2.2
175.11119	2.4
177.12727	25.7
177.16287	1.9
189.11153	3.2
189.12697	3.0
193.12242	4.5
195.12006	4.3
195.13808	84.7
207.13794	5.2
211.11302	2.4
211.13239	2.7
213.14856	77.2
225.14824	2.6
231.05125	5.3
237.14906	2.1
238.42177	1.8
249.14885	2.9
267.15857	2.6
268.16232	2.7
285.10077	3.3
285.14615	2.6
303.15900	3.5
309.17343	2.8
368.22726	2.5
386.24042	8.3
389.15787	2.7
403.24728	2.2
407.17056	9.5
425.17978	4.3
429.05038	4.3
455.06506	5.0
460.27597	12.1
478.16922	2.6
478.28671	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	478.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.4
58.99574	0.8
63.96824	0.4
67.04256	4.2
69.03438	1.5
70.06600	0.6
71.53475	0.5
71.53876	0.6
73.01146	0.6
73.30698	0.4
74.00664	4.0
80.97473	0.5
84.04501	0.8
85.02899	1.7
86.00657	0.7
86.09680	0.4
94.68193	0.4
96.04514	0.5
97.02921	0.8
98.97615	0.6
100.02213	100.0
102.05525	1.6
110.06058	0.6
114.05543	1.3
120.08108	1.9
127.03931	0.7
130.04974	1.2
132.01170	0.9
136.06265	0.6
145.02901	0.5
146.02684	0.5
156.06578	0.7
157.04317	3.5
158.02682	3.3
166.08624	0.8
173.53366	0.5
175.05347	2.7
177.05453	0.7
183.84033	0.4
185.03691	0.5
202.93001	0.5
203.04874	77.8
213.06943	22.4
249.02516	0.5
252.00313	0.5
258.09711	0.7
276.10788	1.4
315.31033	0.4
316.09641	16.9
317.11972	0.6
362.78421	0.5
375.12173	2.2
478.14822	10.1
479.16971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
56.96545	0.8
61.02926	1.6
67.05496	0.5
69.03420	0.6
69.07063	0.5
70.02943	0.3
70.06570	0.8
71.23525	0.2
71.29473	0.4
72.08127	0.4
73.02897	1.0
78.36880	0.2
79.64162	0.3
81.03408	0.3
81.07053	0.3
83.08593	1.0
84.08114	0.7
85.02916	1.8
86.09710	1.1
91.03947	1.4
91.05465	0.4
93.07004	0.4
95.08615	0.5
97.02854	1.0
97.06487	0.4
98.97581	0.4
99.04458	0.3
100.11240	0.2
105.07038	0.4
109.06490	0.3
109.07674	0.3
112.08627	0.2
120.08069	0.4
121.18203	0.2
127.03928	0.6
131.00186	0.3
137.05945	0.6
142.06992	0.3
147.16751	0.2
163.30724	0.2
166.01649	0.3
166.63145	0.3
168.58344	0.5
174.10452	2.0
175.08650	0.3
178.09468	0.5
183.04355	0.3
183.10994	0.8
184.02908	0.6
187.09909	0.6
192.11739	0.3
201.12729	1.1
202.10217	0.2
205.62886	1.4
210.13101	0.4
213.07573	0.5
214.63307	4.3
215.07001	0.5
215.13416	0.4
215.64093	0.4
219.13307	3.6
219.63519	0.3
223.63838	3.2
224.13995	0.7
228.13870	12.0
228.63962	1.7
237.14380	23.7
237.64551	2.1
237.66776	0.2
237.67688	0.2
238.16109	0.5
246.14909	100.0
246.65071	12.2
247.11227	0.4
247.15216	0.7
248.65088	0.6
257.65695	0.8
259.09564	0.3
264.13849	0.6
265.12280	0.7
266.66168	0.9
282.15057	0.3
283.13333	0.4
303.04944	0.4
324.11313	0.6
355.18103	1.0
373.19128	0.7
377.01724	0.3
407.23434	0.4
425.24289	0.3
473.21179	0.3
473.27890	0.3
477.26178	0.4
477.33194	12.7
478.33435	28.1
491.29077	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	478.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33842	0.4
54.94745	0.4
57.03443	0.7
58.99606	0.5
62.73592	0.5
67.04253	5.0
69.02418	0.4
69.03421	1.1
69.66270	1.1
69.66682	1.9
70.06582	0.6
73.01159	0.7
74.00679	1.2
82.71258	0.5
85.02900	3.4
86.00681	0.7
94.23853	0.5
96.04491	0.5
97.02903	2.0
100.02211	100.0
102.05560	1.2
102.95659	0.5
109.02879	0.5
114.05537	2.0
127.03988	0.9
129.04871	0.5
130.05043	1.4
132.01180	0.6
138.05507	0.6
156.06612	1.0
157.04350	3.5
158.02745	3.5
163.03979	0.5
170.02745	0.5
175.05396	3.4
203.04866	63.3
206.19437	0.5
213.06932	9.2
276.10815	1.1
316.09637	15.2
339.77142	0.6
358.10580	0.9
375.12384	3.0
389.15973	0.5
404.55661	0.5
478.14923	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
53.45669	1.4
55.01661	1.5
55.01876	16.1
55.05514	51.0
57.03441	13.0
59.04997	1.9
65.03938	3.2
67.05510	54.4
69.03426	9.8
69.07072	14.6
69.86506	5.2
71.05003	5.3
79.05499	62.1
81.03423	54.0
81.06593	3.3
81.07059	50.6
81.07534	3.3
83.04986	13.9
83.08620	40.4
85.02898	4.7
85.06544	4.6
86.86260	1.6
91.05489	51.8
93.07051	35.3
94.41247	1.7
95.04974	28.0
95.08617	21.9
97.02899	2.2
97.06544	7.3
97.10173	44.6
98.97590	1.6
105.07042	34.6
107.04954	34.6
107.08606	29.8
109.06522	10.6
109.10167	15.4
111.04443	3.1
111.08085	9.0
112.31128	1.5
113.00005	2.0
113.05996	2.8
115.05467	2.8
117.07023	15.5
118.51178	1.5
119.04948	3.2
119.08584	20.4
121.06515	31.2
121.10154	12.3
123.04453	3.9
123.08050	8.8
123.11730	3.5
125.06009	2.0
125.09647	35.7
128.06178	1.9
129.07007	21.8
131.04939	5.2
131.08583	20.1
133.06499	10.4
133.10127	13.5
135.08075	11.4
135.11708	4.5
137.05943	2.7
137.09607	3.3
141.07024	5.9
143.08540	11.8
143.10744	1.6
145.06488	15.9
145.10135	11.3
147.04408	5.0
147.08049	13.2
147.11685	11.5
149.06023	2.5
149.09645	7.9
151.07532	1.8
153.09134	8.5
153.12650	2.5
155.08565	7.3
157.06528	4.2
157.10124	13.0
159.08109	5.3
159.11710	4.7
161.05991	2.5
161.09663	4.8
163.11201	6.0
165.09148	3.1
167.08571	2.5
169.06517	1.9
169.10149	5.4
171.08057	3.9
171.10318	3.1
171.11713	6.5
173.09663	4.8
173.13327	3.1
175.11159	12.6
177.12787	2.5
179.08531	2.2
181.10147	4.4
183.08160	1.6
183.11627	2.2
185.09663	2.6
185.13310	3.3
187.11237	3.4
187.14871	3.0
189.09326	2.7
189.11238	20.2
189.12791	4.0
193.12244	30.2
195.11702	3.0
197.09610	2.3
197.13266	2.9
199.11226	5.2
201.12747	2.4
205.12294	2.4
207.11813	2.4
211.11336	3.0
211.13342	7.0
213.12860	4.3
215.14354	5.6
217.12317	4.5
217.15749	1.8
219.11763	1.7
223.11253	2.0
223.13284	5.9
225.12820	2.6
227.12679	16.4
227.14305	2.2
229.12318	2.5
231.13870	2.6
233.15317	17.1
234.12332	1.7
235.11172	2.0
235.13339	3.7
237.12767	3.4
241.07658	2.1
241.14384	5.0
245.15498	4.1
249.14888	4.4
255.13797	3.4
259.08630	2.4
259.13379	3.3
267.15933	42.7
271.16904	1.6
273.14877	18.1
281.15482	1.9
287.16150	1.9
291.16080	3.2
291.19476	2.7
293.05359	1.6
321.22333	3.4
339.23221	5.8
341.21048	2.8
349.21609	19.7
357.24289	7.0
365.23041	2.1
367.22699	48.7
385.23749	86.0
386.24149	1.8
403.24689	26.6
433.25839	8.5
441.26492	8.4
459.27429	100.0
460.27881	2.1
477.16248	5.2
477.28476	68.2
478.28885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.9
55.01877	11.2
55.05267	3.7
55.05514	46.6
57.03448	11.7
59.04988	2.1
67.05139	3.0
67.05506	46.0
69.03421	7.6
69.07072	14.0
70.98109	2.4
70.98445	3.4
71.05004	4.9
79.05499	49.3
80.54224	1.9
81.03424	43.2
81.07052	34.0
83.04977	10.2
83.08621	21.0
85.02896	4.7
91.05479	35.8
93.07048	30.5
95.04977	26.1
95.08592	22.4
97.06532	6.0
97.10170	36.3
105.07045	24.7
107.04955	22.4
107.08611	23.9
109.06519	5.3
109.10181	14.2
111.08081	8.3
117.07043	14.8
119.04887	2.5
119.08604	15.1
121.06504	25.2
121.10140	10.8
123.08080	7.2
125.05992	2.3
125.09620	25.5
129.07013	18.0
131.04915	6.7
131.08566	18.8
133.06480	6.7
133.10129	8.9
135.08029	10.1
135.11728	2.9
137.09595	2.8
141.07050	5.1
142.07799	3.0
143.08583	8.7
145.06496	18.1
145.10150	10.4
147.08061	9.1
147.11711	7.1
149.09628	6.2
152.07930	2.5
153.01852	3.3
153.09123	4.7
155.08580	5.2
157.06548	3.5
157.10162	10.0
159.08104	2.6
159.11684	2.6
161.05919	2.3
161.09647	3.4
163.11241	4.2
167.08676	2.6
169.10153	6.7
171.08073	3.7
171.10205	3.0
171.11684	6.9
173.09660	3.2
173.13220	3.3
175.11197	6.8
178.75937	2.1
181.10191	3.3
183.11699	2.8
185.09630	4.9
185.13200	3.6
187.11266	4.8
187.14851	3.3
189.11201	11.7
189.12820	5.5
193.12227	27.4
197.13280	6.2
201.12744	2.9
205.12225	4.5
211.13295	2.9
211.16948	8.0
215.14424	3.2
219.13806	2.7
225.12750	3.8
227.12675	17.6
229.18030	8.9
233.15324	15.1
241.14307	3.3
245.15506	3.8
249.14890	5.2
255.13879	2.6
259.13318	2.2
267.15903	41.0
273.14789	8.9
323.19965	3.5
339.23050	6.6
341.21082	5.5
349.21695	12.5
357.24249	9.7
367.22705	33.7
375.25330	3.3
385.23746	59.8
403.24945	20.8
415.24869	5.2
433.25998	24.9
441.26514	4.5
459.27475	100.0
477.15298	6.1
477.28976	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
55.00011	2.1
55.01882	11.3
55.05513	46.8
57.03439	12.2
57.73251	2.0
60.28875	2.1
63.66839	1.8
65.03940	3.8
67.05507	44.5
69.03426	8.7
69.07076	10.6
71.04972	3.5
76.03695	2.0
79.05498	56.7
81.03423	45.2
81.07063	35.6
83.04979	8.1
83.08626	24.4
85.06535	3.5
91.05489	38.5
91.06037	3.9
93.07053	24.7
95.04977	21.6
95.08612	19.1
97.06519	6.4
97.10177	33.4
105.03394	2.1
105.07034	26.9
107.04963	25.0
107.08601	23.4
109.06525	10.8
109.10143	12.6
111.04499	2.2
111.08100	6.8
115.05466	5.2
117.07021	16.5
119.04931	3.3
119.08602	14.3
121.06506	26.8
121.10184	9.3
123.08065	6.2
125.09636	30.4
128.06216	3.2
129.06999	13.8
131.04964	7.4
131.08574	19.7
133.06496	8.2
133.10176	9.8
135.08080	10.8
135.11647	3.1
137.09692	2.1
141.06982	3.9
142.07800	2.9
143.08574	11.4
144.05653	2.0
145.06509	19.6
145.10133	6.7
147.04417	3.2
147.08061	10.0
147.11699	8.7
149.09619	9.2
153.09117	7.7
155.08601	4.4
157.06491	6.6
157.10118	12.7
159.08063	5.4
159.11671	4.1
161.05989	2.4
161.09633	4.8
163.11223	4.6
165.12766	3.1
167.08598	4.6
169.10115	5.2
171.08052	5.7
171.10287	2.7
171.11699	6.8
173.09668	2.9
175.07347	2.5
175.11195	8.6
177.12746	2.2
181.10161	3.9
183.11806	2.5
185.09666	4.1
185.13268	6.0
187.11172	3.1
187.14780	2.7
189.09488	2.7
189.11243	17.6
189.12814	4.6
193.12257	26.6
195.11667	2.6
197.09608	4.0
197.13335	4.5
199.11249	3.5
203.14331	2.0
209.13338	2.9
211.11247	3.0
213.12794	3.8
215.14366	5.3
217.12236	3.6
223.13193	3.2
227.12671	16.5
231.13779	3.5
233.15376	13.8
237.12767	3.5
240.24600	2.3
241.14384	3.6
245.15410	3.7
249.14658	2.1
255.13861	2.9
259.13312	2.5
267.15891	40.1
273.14923	10.0
323.19803	2.5
339.23193	7.1
341.21136	8.1
345.45743	2.1
349.21606	13.9
357.24252	10.7
367.22690	39.2
375.25330	2.5
385.23721	59.5
386.24121	2.2
403.24832	33.0
415.24722	4.8
421.16830	2.1
433.25897	18.1
441.26346	5.2
449.29074	2.8
459.27466	100.0
477.28571	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53375	1.0
51.81411	1.0
53.03942	3.1
55.01870	5.8
55.05513	32.6
57.03434	5.9
57.07056	2.1
59.04993	2.9
67.05179	1.7
67.05507	22.0
68.42162	1.1
69.03427	14.4
69.07060	11.8
70.48384	3.6
71.05000	5.6
79.05496	19.6
81.03422	15.0
81.07065	19.8
83.04985	22.2
83.08619	22.6
85.02899	13.0
85.06542	10.6
87.00832	3.8
87.04488	2.0
89.46336	1.0
91.05487	12.5
93.07052	16.0
95.04968	10.6
95.08608	9.4
95.67655	1.1
97.02909	4.3
97.06525	3.2
97.10164	14.2
99.04469	2.7
99.08090	5.9
101.06010	2.1
105.01873	2.6
105.07043	7.9
107.04963	9.9
107.08603	16.0
109.02900	5.6
109.06496	6.1
109.10162	34.8
111.04402	1.2
111.08063	3.4
113.06012	2.6
115.07519	1.2
117.07015	4.6
119.08592	8.6
121.06508	8.6
121.10130	8.0
123.08066	3.6
123.11707	13.4
125.05971	1.1
125.09634	16.1
127.03918	6.7
127.11197	12.2
129.07018	5.7
131.04956	2.4
131.08594	6.5
133.06491	3.8
133.10132	6.9
135.08041	3.6
135.11703	9.7
137.09642	2.4
141.06955	1.9
143.08572	3.0
145.04907	2.2
145.06496	4.6
145.10141	3.8
147.04449	2.4
147.08038	4.7
147.11705	3.5
149.09633	3.3
149.13283	3.9
151.11179	4.7
153.09102	3.1
153.12750	3.5
157.06429	2.0
157.10109	3.0
159.02904	3.1
159.08015	1.7
159.11725	2.0
161.06046	1.3
161.09601	2.1
161.13252	1.4
163.11166	1.6
167.14334	11.8
169.10104	2.2
169.12245	27.4
171.08008	2.1
171.13820	2.7
173.09639	1.8
175.11200	1.9
175.14845	5.1
181.10081	1.5
183.13818	1.5
185.09665	1.8
185.13275	1.8
185.15387	6.9
189.11201	4.6
189.12779	2.1
193.12312	6.9
193.15898	9.9
195.11713	1.9
197.13374	1.5
199.11205	1.5
209.15352	5.9
211.16936	59.3
227.12770	3.5
229.18001	100.0
233.15402	5.0
239.14398	1.3
241.14429	1.6
245.15498	1.2
253.17950	1.6
267.15930	6.8
273.14801	4.2
339.23026	1.5
341.21155	1.8
349.21631	4.6
367.22699	14.0
385.23721	24.2
403.24771	9.2
433.25980	5.4
441.26193	2.0
459.21494	1.8
459.27454	29.6
477.23752	6.4
477.28571	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	476.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.7
56.19255	12.6
59.79467	14.9
60.05260	12.2
67.05508	31.1
69.07064	52.9
69.97369	44.2
79.05504	26.4
81.07057	100.0
83.02848	13.3
83.05057	13.1
83.08598	15.2
90.62216	13.2
91.05430	23.8
93.07034	53.5
93.13182	14.0
95.08612	71.8
105.07009	56.3
107.08582	56.3
109.10164	45.8
119.08562	40.2
121.10152	45.2
123.11711	24.3
127.11217	16.5
131.08614	16.3
133.10167	22.4
135.11682	23.5
147.11694	39.2
149.13225	15.1
159.11708	24.9
271.24210	15.7
291.72113	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	476.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.7
56.00251	3.6
57.07060	7.3
57.14035	3.8
66.07335	3.7
67.05500	11.7
69.07082	28.6
70.70259	8.4
71.05004	20.9
73.06542	4.5
79.05491	12.7
81.06650	6.1
81.07063	63.0
83.08612	13.8
85.06548	7.0
91.05468	12.2
93.07066	26.2
95.08614	33.9
97.06549	4.0
97.10172	13.6
105.07056	20.5
107.08601	42.7
109.10176	38.9
119.08582	29.6
121.10152	17.3
123.11698	13.2
125.09633	42.1
127.11179	11.8
131.08559	7.9
133.10138	21.0
135.11699	9.9
137.13254	10.6
143.10678	100.0
145.10141	13.6
145.89233	4.0
147.11665	15.0
149.13272	11.6
157.10132	8.4
159.11720	18.7
161.13260	6.7
171.11755	6.8
173.13295	14.2
177.16467	5.4
183.11710	5.4
185.13315	8.2
187.14787	9.3
199.14731	6.3
213.16333	8.5
215.17859	6.8
227.17850	5.2
231.25537	4.6
251.06612	4.7
307.12741	4.4
308.13205	5.5
363.19135	5.7
420.25165	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	476.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.1
56.96419	4.2
57.07077	10.4
60.98852	4.4
66.48772	5.0
67.05510	26.9
69.07075	31.3
69.44168	33.7
71.96092	4.0
75.10400	4.4
76.29800	4.9
79.05490	18.0
81.07063	100.0
83.08628	13.1
91.05488	11.7
93.07054	32.1
94.31383	4.9
95.08619	52.8
97.10141	6.9
105.07039	25.2
105.94965	4.3
107.08614	36.1
109.10168	40.8
111.04429	5.5
111.11705	4.9
115.60574	4.5
118.93849	4.8
119.08590	17.5
121.10164	32.8
123.11691	19.8
130.07516	4.9
131.08586	5.2
133.10135	12.3
135.11696	23.2
136.15082	4.9
137.13284	6.7
145.10117	11.2
147.11679	15.4
149.13269	21.6
151.11165	8.6
159.11690	13.2
161.13229	8.5
162.98938	4.8
163.14751	8.4
173.13271	6.6
175.14824	6.4
177.16463	6.0
187.14883	10.5
189.16440	7.1
199.14717	5.2
201.16518	10.1
203.17873	4.9
237.05528	4.5
244.85361	4.6
444.91400	6.0
470.32553	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01870	0.6
55.05519	5.8
57.03198	0.5
57.03442	5.8
57.07085	1.5
58.73797	0.3
62.06079	0.4
65.03934	1.2
67.05508	31.3
67.29919	0.3
69.06744	0.4
69.07076	5.0
71.04964	0.5
79.05497	13.6
81.07057	24.4
83.04965	0.5
83.08622	2.6
85.06543	0.7
86.15905	0.3
91.04919	0.3
91.05485	7.9
93.07048	16.9
95.04951	1.2
95.08610	16.8
97.06522	0.8
97.10153	1.1
98.21539	0.8
98.98463	0.4
105.07032	5.5
107.04957	0.6
107.08602	7.6
109.06479	0.8
109.10170	5.5
111.08084	0.4
117.07013	2.1
119.08579	4.0
121.10143	5.8
123.08047	0.5
123.11727	1.6
129.05444	0.5
131.08575	4.8
133.10150	2.2
135.11696	3.7
137.13277	1.2
145.10123	2.7
147.11691	1.8
148.62251	0.3
149.13266	2.5
159.11661	2.0
161.13231	1.7
163.14804	1.4
173.13271	1.4
175.14807	0.7
177.16336	0.4
187.14789	0.4
198.05112	0.4
201.16278	0.5
216.06345	1.1
243.21100	2.3
261.22205	1.9
304.26285	2.6
317.24884	1.7
335.25806	100.0
336.26144	1.1
476.27402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05516	4.7
57.03432	0.8
58.31150	0.5
60.06741	0.5
60.07047	0.6
62.06090	6.1
65.03937	0.8
67.05508	14.5
69.07074	4.3
70.79173	1.1
72.04531	0.6
79.05498	6.7
81.07062	10.6
83.08619	0.9
85.05293	2.5
91.05492	2.6
93.07040	6.2
95.04965	0.5
95.08607	8.8
98.06060	11.0
98.98460	1.5
105.07034	1.7
107.08586	3.1
109.10168	3.3
112.07618	1.0
112.95350	0.5
117.07017	0.6
119.08597	1.2
121.10136	2.4
123.11679	0.8
124.11128	0.5
131.08597	0.6
133.10039	0.6
135.11717	1.3
138.09157	0.6
147.11752	0.8
149.13168	0.7
154.12262	0.5
161.13280	0.6
168.13782	0.6
196.16985	0.7
206.02873	0.6
216.06349	0.7
222.18547	0.9
261.22131	1.2
295.90594	0.5
304.26355	100.0
305.26596	0.8
335.25833	12.7
339.75171	0.5
369.06436	0.5
458.26556	0.7
476.27408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07061	0.3
52.37698	0.4
53.03936	1.4
55.05267	0.5
55.05515	6.3
57.03190	0.5
57.03440	5.7
57.07072	0.8
58.19997	0.3
65.03937	1.4
67.05506	24.4
69.07073	5.8
69.99580	1.8
71.04983	0.8
75.60460	0.3
78.22927	0.3
79.05494	12.5
81.07058	20.1
83.04986	0.6
83.08625	2.5
91.05483	5.3
93.07045	14.3
94.67240	0.4
95.04990	0.9
95.08608	15.6
96.49402	0.3
97.06520	0.9
97.10158	0.7
98.98487	0.5
103.24724	0.3
105.07030	3.3
107.08594	5.9
109.10153	6.5
111.08046	0.4
117.06997	1.1
119.08578	2.4
121.10142	5.2
123.11701	1.4
124.01641	0.4
131.08560	2.1
133.10144	1.6
135.11700	2.1
145.10097	1.0
147.11749	0.8
149.13252	1.1
159.11664	0.7
161.13223	0.6
163.14880	0.5
173.13295	0.8
198.05324	0.5
216.06349	0.9
261.22247	0.7
275.42014	0.4
304.26395	2.2
335.25803	100.0
336.26129	1.7
417.70605	0.4
493.59500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06465	0.5
53.03933	1.4
55.01884	1.1
55.05515	7.2
57.03448	5.2
57.07074	1.6
62.06079	2.4
65.00504	0.5
65.03938	0.6
67.05510	30.8
69.07068	4.2
69.24414	2.1
69.24841	3.0
71.04975	0.5
71.08654	0.7
79.05495	14.0
81.03401	1.8
81.07060	25.5
83.04967	1.4
83.08611	2.5
85.06516	0.5
91.05486	10.1
92.05701	0.5
93.06486	1.0
93.07051	19.4
94.07400	0.5
95.04967	1.8
95.08612	16.4
97.06509	1.5
97.10163	1.5
98.06074	0.7
98.98477	0.9
105.04532	0.9
105.07040	7.3
107.04939	0.8
107.08608	8.4
109.06549	1.0
109.10162	6.0
111.08074	0.9
113.00031	0.7
117.07032	2.9
118.32733	0.5
119.08591	4.3
120.96066	0.5
121.10159	5.2
123.08057	1.4
123.11707	1.7
125.09596	0.8
128.13379	0.5
131.08574	5.3
133.10167	3.3
135.11685	4.7
137.13240	1.0
137.73569	0.6
145.10115	3.5
147.11650	1.8
149.09572	0.6
149.13235	2.9
159.11707	1.9
161.13257	1.3
163.11227	0.8
163.14830	1.1
173.13242	1.8
175.14879	0.7
187.14853	0.7
198.05280	0.8
205.15941	0.6
216.06297	1.2
227.12810	0.9
243.21045	2.9
255.89890	0.5
261.22195	2.3
290.54474	0.6
304.26239	2.7
317.24841	1.8
335.25812	100.0
336.26233	1.0
377.02921	0.7
458.26462	1.8
476.27539	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	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01880	1.7
55.05513	3.1
56.05033	1.5
56.96563	2.5
57.07054	1.1
60.04511	1.5
60.08160	1.2
61.02925	2.1
62.06098	1.5
65.17097	0.9
67.05491	6.0
69.03435	8.9
69.07057	4.6
70.06602	1.5
70.72364	2.0
70.72701	1.7
71.04981	3.1
71.08634	4.7
72.08159	1.0
73.02921	2.6
75.91220	0.9
79.05498	4.5
81.03424	3.4
81.07052	12.5
83.08655	2.4
84.08143	1.5
85.02908	11.4
85.06545	1.6
86.06065	16.8
86.09714	4.9
87.00834	1.8
87.04485	1.3
91.05480	6.3
93.07050	7.6
95.04961	2.8
95.08620	12.4
97.02905	4.7
97.06559	3.6
98.09702	2.0
98.97601	1.5
99.04476	3.0
99.08091	9.0
101.02413	2.8
105.07034	11.8
107.08600	12.6
109.02885	3.4
109.06530	7.2
109.10180	4.3
111.08081	6.0
113.09647	2.9
116.10734	7.7
116.98631	1.4
117.07036	1.8
119.08581	19.9
121.06524	2.0
121.10168	3.1
123.08087	1.0
123.11701	2.8
124.99975	1.3
125.09615	1.4
127.03964	5.8
131.08543	2.3
133.10135	100.0
134.09618	2.3
135.08167	1.2
135.11687	22.2
137.05994	2.2
138.09193	1.2
141.07053	1.0
142.08742	1.5
142.12361	1.4
143.10780	1.1
145.04988	2.9
145.10168	1.8
147.11693	4.2
152.10774	1.3
154.08719	1.1
162.08968	1.1
165.09171	4.0
165.28735	1.0
166.09613	1.5
170.11763	5.3
173.13350	2.5
175.14827	55.3
180.10181	1.1
184.07338	8.1
191.14334	2.6
193.12289	1.5
193.15962	5.2
198.11267	78.4
202.24535	1.0
210.15648	1.2
214.18304	0.9
216.12329	49.9
257.15912	1.1
261.13483	1.7
285.10123	1.3
314.19574	4.9
348.26306	2.1
349.21814	1.3
360.16547	14.1
378.17529	9.1
458.25815	3.7
476.25085	4.4
476.31070	76.9
485.99539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01875	3.7
55.05512	6.5
56.96552	1.1
57.03435	2.2
57.07067	0.8
59.04978	1.0
61.02919	1.0
66.99551	0.7
67.05511	6.7
69.03433	7.0
69.06725	1.2
69.07073	12.0
69.60115	2.1
69.60535	3.1
71.04986	2.4
72.30129	0.7
73.02930	1.6
79.05495	10.2
81.03426	7.0
81.07059	12.6
83.04982	1.0
83.08624	6.4
85.02916	11.3
86.09739	1.2
87.00831	6.7
91.04012	1.1
91.05486	6.5
91.20821	0.8
93.07048	15.3
95.04984	2.1
95.08613	23.1
97.02888	8.9
97.06516	2.1
97.10180	2.6
98.21506	1.0
99.04462	2.7
105.01913	4.1
105.07034	16.6
106.20656	0.7
107.04983	1.8
107.08603	22.8
109.02890	5.0
109.06497	1.1
109.10159	9.3
115.03978	1.0
116.98548	0.7
117.07007	1.9
119.08586	10.4
121.06547	1.0
121.10158	23.8
123.08073	1.5
123.11726	1.6
125.09668	1.4
127.03926	10.0
129.07063	1.2
131.08595	1.4
133.10167	6.7
135.11708	9.5
137.09589	1.8
142.54434	0.8
145.04993	4.2
145.10156	1.8
147.02826	0.8
147.08159	1.1
147.11693	3.4
148.60440	0.9
149.09619	0.9
149.13242	4.0
151.11255	1.1
157.10071	1.0
159.02930	2.8
159.11671	1.0
165.09155	1.1
175.14839	30.9
177.16399	100.0
180.04367	1.0
184.07364	2.6
193.15877	7.9
211.17062	1.1
229.17958	1.2
231.05084	1.8
257.15558	0.9
268.11151	0.9
367.22687	1.8
384.22610	2.5
385.23871	1.8
458.26337	2.3
459.27670	2.0
476.27069	6.5
477.28183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05511	2.7
57.03444	0.3
57.07082	2.0
58.83082	0.3
59.05005	0.5
63.23418	0.2
65.03957	0.5
66.39797	0.3
67.05508	5.4
67.05841	0.5
67.71523	0.3
69.07071	4.8
69.38683	2.0
71.05014	0.5
79.05503	1.3
81.07053	4.7
83.08635	1.2
85.02919	0.5
85.06528	0.6
91.05475	4.5
93.07038	3.5
95.04981	0.5
95.08607	18.1
99.04423	0.5
105.07035	8.9
107.08597	4.3
109.06480	0.5
109.10159	20.6
112.10314	0.3
117.07024	1.2
119.08584	38.4
121.10141	3.0
123.08085	1.4
123.11697	1.3
125.09628	0.4
127.03930	0.3
131.08582	1.3
133.10133	42.3
134.10789	0.9
135.11687	7.8
137.09627	9.1
145.10130	2.6
146.10934	0.5
147.11691	10.1
149.13260	3.6
151.14804	3.6
159.11668	0.4
160.12436	2.3
173.13268	0.6
175.14825	100.0
176.15157	1.1
193.15889	33.9
194.16258	0.5
195.21098	0.3
210.15623	0.4
228.16747	0.6
248.11295	0.3
300.84583	0.3
398.32724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1919
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.03934	1.2
53.42223	0.6
57.03434	1.3
60.50900	0.6
61.02922	5.3
69.03432	4.2
70.06582	0.7
73.02898	2.1
79.05518	1.1
81.03410	2.0
84.08102	0.7
85.02909	11.5
86.09712	1.6
87.04440	0.9
89.03907	4.0
91.03956	2.4
91.05489	4.4
93.07037	5.3
95.04964	1.7
95.83320	0.6
97.02885	4.5
99.04462	0.9
103.05470	4.0
109.02898	1.1
117.02625	1.2
117.03383	13.0
121.06504	36.8
121.10139	0.9
127.03925	1.9
134.03635	1.1
145.02850	51.5
149.06044	3.6
157.66216	0.7
163.03957	1.4
177.05473	100.0
178.05882	0.7
186.05574	0.9
194.08189	1.1
201.12387	0.8
215.07043	1.0
229.40503	0.9
259.09650	0.7
303.05063	5.6
314.13855	94.8
315.14108	0.9
361.04059	5.0
379.04980	1.1
475.32401	2.2
476.26514	1.3
476.32886	21.0
487.07010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05504	2.0
57.38226	0.5
61.02919	0.6
67.05508	1.7
69.03424	2.0
69.07075	6.5
70.14745	0.6
70.53176	1.7
71.04989	0.8
77.64680	0.5
79.64385	0.6
81.03422	2.8
81.07071	1.9
83.08627	1.4
85.02903	5.8
86.09699	1.1
87.00825	2.7
88.16331	0.6
91.05485	2.3
93.07053	1.7
94.46107	0.5
95.08627	4.5
97.02899	3.4
99.04456	1.2
105.01878	2.7
105.07046	6.2
107.08611	2.7
109.02885	2.4
109.10149	2.0
117.01860	0.6
119.08593	24.6
121.10146	1.4
127.03914	3.9
131.08577	1.0
133.10138	23.6
135.11681	1.2
137.09598	1.4
145.04962	2.2
145.10149	2.0
147.11697	4.5
159.02855	1.1
160.12561	0.9
161.02960	0.7
173.13261	1.0
175.14836	100.0
177.16425	1.6
192.09483	0.5
193.15950	4.3
231.05049	1.1
472.12967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01860	0.8
57.03420	0.7
60.65421	0.3
61.02911	1.2
63.02375	0.7
63.46943	0.4
67.05486	0.5
69.03151	0.3
69.03439	4.1
69.37952	3.2
70.06586	0.6
71.04968	0.8
71.08010	0.4
71.29803	0.3
73.02917	0.7
78.04725	0.4
79.05499	0.4
81.03417	1.5
81.07036	0.6
84.08176	0.5
85.02434	0.7
85.02912	8.1
86.09697	1.1
89.03918	3.6
91.05484	3.4
93.07058	6.6
95.04964	1.7
97.02906	2.9
98.21519	1.0
99.04488	2.0
100.04834	0.5
103.05482	4.0
105.04510	0.5
105.07002	0.7
109.02915	0.9
117.03387	13.9
119.04964	0.5
121.06511	36.6
127.03900	2.0
133.10132	0.5
135.04388	0.7
138.09152	0.7
145.02853	49.6
149.05988	4.7
151.07536	0.7
163.03960	0.7
163.07545	0.6
164.07091	1.3
164.08585	0.4
177.05481	100.0
178.05894	0.9
186.05481	0.5
194.08215	0.7
210.15761	0.5
227.16267	0.4
228.16817	1.1
252.09209	0.4
314.13876	93.6
315.14249	0.9
356.14642	0.5
475.32434	0.5
476.32852	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	475.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
52.52441	0.2
53.03933	0.8
55.01880	1.3
55.05274	0.3
55.05511	4.5
55.85226	0.2
57.03418	1.0
57.07058	0.5
59.04997	0.2
62.79351	0.2
65.03920	0.6
67.05505	8.9
69.03407	1.0
69.06743	0.2
69.07070	2.6
71.04976	0.7
71.53989	0.3
73.02914	0.2
73.06503	0.3
79.05492	5.8
81.03419	5.1
81.06606	0.5
81.07058	8.5
83.04984	2.0
83.08607	2.9
84.04475	0.2
85.02904	0.5
85.06528	0.4
91.04977	0.4
91.05487	4.1
93.06479	0.4
93.07043	4.7
95.04968	3.0
95.08605	6.9
97.02874	0.8
97.06562	1.1
97.10160	2.3
99.04456	0.3
99.08070	0.3
100.11247	0.4
101.05983	0.3
103.05439	0.3
105.07029	3.7
107.04964	2.6
107.08591	3.7
109.02872	0.9
109.06528	1.2
109.10156	8.4
109.24711	0.2
111.04431	0.6
111.08080	1.0
115.05415	0.8
117.07018	2.0
118.67269	0.2
119.04945	0.6
119.08585	4.5
121.02852	0.6
121.06486	1.5
121.10148	2.0
122.07274	1.6
123.04428	0.3
123.08083	1.1
123.11688	1.2
125.02330	0.5
125.06003	0.3
125.09633	1.7
127.03918	0.5
127.11143	0.3
128.06224	0.5
128.07152	0.2
129.05489	0.4
129.07022	1.6
130.07806	0.3
131.04913	0.8
131.08551	2.2
133.06506	1.4
133.10152	1.4
135.04410	0.4
135.08090	1.2
135.11702	2.7
137.05989	0.6
137.09621	11.9
137.13268	0.3
139.11235	0.3
141.07034	0.7
142.07730	0.3
143.08560	1.0
145.06465	1.5
145.10127	2.2
147.04439	0.7
147.08061	1.2
147.11674	0.7
149.05899	0.4
149.09610	2.4
149.13239	0.5
151.07556	0.5
151.11145	0.7
151.14824	0.6
153.09100	0.7
153.12735	0.6
155.08519	0.8
157.06508	0.6
157.10124	1.2
159.08061	0.9
159.11703	0.7
160.05229	0.4
161.06000	2.7
161.09584	0.8
163.03902	0.2
163.07559	0.3
163.11189	2.6
163.14813	0.4
165.09114	100.0
166.09450	0.8
167.08595	0.3
169.10068	0.5
169.96844	0.3
171.08078	0.7
171.11635	0.4
173.06087	0.6
173.09630	1.0
173.11809	0.3
175.07607	0.7
175.11168	1.0
175.14862	0.3
177.09120	0.6
177.12820	0.3
179.10681	0.7
181.10086	0.4
181.12201	0.5
183.08125	0.4
183.11783	0.4
184.07443	0.3
185.09558	0.6
185.13254	0.5
187.07545	0.6
187.11191	0.8
189.09142	0.9
189.11198	0.6
189.12811	0.4
190.09926	0.4
191.10666	0.7
193.12254	2.2
195.08144	0.4
195.11699	0.3
197.09700	0.5
201.09282	0.3
201.12749	0.8
203.10774	0.4
203.14336	0.4
205.12244	4.2
209.11765	0.4
209.15450	0.3
209.18930	0.3
210.14871	0.4
211.11194	0.6
211.16893	0.5
213.12820	0.3
219.13783	0.3
225.12778	0.5
227.09116	0.5
227.12724	3.8
227.14662	0.4
227.20204	0.2
231.13821	0.5
236.53711	0.2
237.12898	0.3
243.13878	0.7
246.72556	0.2
253.12239	0.3
257.15530	0.3
259.24097	0.4
269.15363	0.7
271.13193	0.6
273.14832	0.5
277.25485	0.4
287.16327	0.4
289.14359	2.0
323.25833	1.0
337.21826	0.5
355.22668	0.8
365.21118	1.7
383.22177	9.5
401.23245	2.9
419.24179	0.8
421.23947	0.5
429.33694	0.5
431.24380	0.7
439.24750	1.6
457.25909	6.7
457.32214	0.3
475.26984	19.0
475.33929	1.2
476.27536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2694
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
53.03935	2.4
55.01876	4.9
55.05273	1.5
55.05518	19.5
57.03434	4.9
59.05005	1.5
62.88800	0.8
65.03931	1.4
67.05511	23.2
67.05856	0.8
69.03418	3.3
69.07071	6.6
70.58698	1.9
70.59029	0.9
71.04985	1.8
79.05502	22.3
81.03428	10.4
81.07061	18.7
83.04990	4.6
83.08619	9.1
91.05486	17.5
93.07043	14.3
95.01319	1.2
95.04968	10.7
95.08606	11.0
97.02901	1.3
97.06532	2.7
97.10175	11.6
103.05459	1.3
105.07030	10.6
107.04955	8.0
107.08617	10.2
109.02898	6.7
109.06527	2.9
109.10158	8.7
111.08096	2.4
115.05461	1.6
117.07027	8.1
119.04951	3.2
119.08593	7.5
121.02889	2.1
121.06544	5.9
121.10132	2.1
123.04437	2.6
123.08104	3.6
125.02372	3.3
125.09633	7.7
128.06252	2.5
129.07005	7.8
131.04933	4.4
131.08586	8.2
133.06483	7.2
133.10152	3.9
135.04424	2.2
135.08069	4.9
135.11703	3.8
137.06001	1.6
141.06981	3.3
142.07759	1.5
143.08589	6.0
145.06500	7.8
145.10143	7.6
147.04453	4.8
147.08040	6.5
147.11636	1.1
149.06047	1.8
149.09627	2.9
151.07439	1.1
153.06960	1.2
153.09085	1.9
153.12682	1.2
155.08572	4.2
157.06494	4.1
157.10138	3.7
158.07346	1.2
159.08098	4.0
159.11729	2.2
160.05173	2.3
161.05983	20.8
161.09628	3.0
163.07588	1.5
163.11192	6.3
165.09114	2.6
165.12798	1.0
166.07544	1.0
167.08565	2.6
168.90392	0.8
169.06523	1.9
169.10147	3.6
171.08035	4.9
171.10262	1.2
171.11647	1.4
173.05980	5.1
173.09636	5.1
173.11784	1.9
175.07573	1.9
175.11189	1.8
179.08650	1.3
181.10124	2.7
183.08072	2.8
183.11665	2.0
185.09665	2.8
185.13257	1.5
187.07558	2.4
187.11234	1.9
189.09175	2.4
189.11232	4.9
189.12753	1.3
191.10663	2.4
193.10175	1.0
193.12265	3.4
195.11665	2.0
197.09601	2.0
199.07501	1.4
199.11375	1.3
201.09245	1.9
201.12730	1.6
203.10632	1.1
203.14334	2.0
205.12257	1.4
209.09686	1.3
211.11288	4.1
213.09213	1.2
213.12737	2.7
215.10768	1.0
215.14542	1.0
219.10091	1.5
221.09731	1.5
223.11206	2.0
225.12825	3.0
227.12849	1.3
229.12285	1.2
231.13889	3.1
235.11157	1.0
237.11115	1.8
243.13876	3.8
249.15004	1.3
253.12201	1.4
255.13930	1.1
269.15445	3.9
270.99619	0.9
271.13220	5.6
273.14883	4.6
285.14957	1.7
287.16406	1.8
289.14337	13.1
295.17157	1.2
299.16544	1.6
303.16013	3.4
311.16586	1.2
337.21548	2.2
347.20013	2.0
355.22543	5.2
365.21048	10.3
373.23611	1.3
383.22202	51.7
393.24051	1.8
401.23233	21.7
403.22931	1.6
419.24121	3.6
421.23941	3.5
431.24109	4.8
439.24655	7.9
457.25916	54.3
475.26944	100.0
475.89621	1.2
476.27051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.01859	5.2
55.05506	7.8
57.03439	6.2
57.07076	2.7
61.02924	2.7
67.05495	9.7
69.03436	22.8
69.07053	7.3
70.06592	3.3
70.48686	4.8
71.04980	8.1
79.05492	7.0
81.03419	11.9
81.07065	10.5
83.04969	5.5
83.08607	5.3
85.02908	38.7
85.06531	7.9
86.09731	5.2
87.00828	20.9
89.03904	4.4
91.05467	8.5
91.31080	2.4
93.07085	12.0
95.04977	39.8
95.08609	17.8
96.08951	4.0
97.02905	14.5
97.06538	22.1
98.97595	2.9
99.04459	12.1
99.08083	4.5
105.01894	19.5
105.07033	19.5
107.08604	14.8
108.84321	2.1
109.02882	14.2
109.06515	35.8
109.10137	9.3
111.08089	6.6
115.07571	5.8
117.03404	18.7
117.07040	3.0
119.08575	14.1
121.10161	21.6
123.08067	7.9
123.11689	5.2
125.05975	3.0
125.09608	4.4
127.03936	22.1
127.07578	2.8
131.08559	10.1
133.08635	2.8
133.10143	48.9
135.08054	6.6
135.11687	4.0
137.12430	2.3
139.11188	3.7
145.01765	3.7
145.02856	46.0
145.05006	6.6
145.10097	5.3
147.11691	32.1
149.05977	7.8
149.09604	6.8
149.13225	4.7
151.11201	5.4
153.09094	27.3
159.02866	3.2
163.11127	3.6
163.14827	5.8
165.12758	7.4
171.10110	5.0
173.13251	22.8
177.05481	100.0
191.14348	36.3
207.13783	3.9
208.14131	4.6
209.15395	83.6
227.16446	78.8
231.05031	3.7
303.67545	2.3
330.56638	2.5
339.10800	5.3
364.46735	2.6
374.01013	2.4
475.15170	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.01887	6.9
55.05510	10.4
57.03441	3.5
67.05496	24.0
68.99756	4.3
69.03439	20.2
69.07078	19.2
70.06581	11.4
71.05000	27.4
71.54596	3.1
71.54970	4.2
72.08154	3.1
79.05504	20.8
81.03423	19.0
81.07060	38.0
83.04990	23.7
83.08626	5.1
84.04470	3.9
84.08152	4.5
85.02914	44.9
85.06520	15.3
86.09704	27.9
87.00836	7.9
91.05480	14.3
93.07044	29.1
95.04975	41.0
95.08596	12.6
97.02881	18.6
97.06526	24.0
98.97598	3.6
99.03854	5.4
99.04464	78.7
99.08089	9.1
102.05534	3.6
105.01870	11.5
105.07049	31.3
107.04960	8.8
107.08603	31.2
109.02882	15.3
109.06519	27.0
109.10152	13.0
111.04408	5.2
111.08076	6.4
113.09666	3.7
115.07581	4.2
117.07023	8.4
119.08612	19.7
120.08088	4.4
121.06503	13.4
121.10145	23.7
123.04423	6.1
123.08070	14.3
123.11691	14.5
125.06022	21.7
125.09639	10.5
127.03920	20.6
127.07525	9.0
131.08607	15.6
133.06509	7.2
133.10144	24.5
135.08064	9.5
135.11687	6.5
137.05957	19.8
137.09605	7.2
139.11147	3.8
143.07051	19.5
143.08562	6.6
145.04958	7.3
145.10118	45.5
147.08014	5.8
147.11707	13.5
149.09636	8.9
149.13274	6.7
151.07564	8.5
151.11160	3.3
152.09793	3.1
153.09009	3.7
155.08595	3.6
157.10060	3.5
159.02954	4.0
159.08080	3.8
159.11707	11.4
161.09668	4.1
163.11185	12.6
165.12753	20.6
169.10100	4.3
169.12230	14.1
173.09636	28.1
173.13290	11.0
175.07487	4.5
177.12743	4.2
179.14339	15.5
183.13823	15.8
187.11163	32.8
189.08725	5.7
191.10654	13.6
191.14317	14.5
205.12250	19.3
207.13826	3.4
209.11746	23.7
209.15381	39.3
215.10672	26.6
217.08356	10.3
227.16414	100.0
227.18523	6.8
233.11734	20.0
251.12787	24.4
257.11694	5.9
259.20267	5.3
267.12460	3.4
269.13919	6.1
313.11954	3.5
377.16000	7.0
377.77289	4.4
395.16782	7.8
413.17993	10.7
475.18680	3.6
475.25513	15.2
475.32483	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.55293	1.8
55.01871	2.3
55.05503	4.4
56.05051	2.4
57.03440	5.1
57.07050	2.4
57.09540	2.0
58.06610	2.1
61.02935	2.7
67.05495	3.9
68.99809	1.9
69.03419	13.2
69.07077	8.8
69.49261	3.0
69.49673	11.2
70.06594	9.1
71.05001	4.4
72.08148	15.8
73.02918	3.5
74.06066	7.7
74.10560	1.7
76.47681	2.0
79.05465	4.3
81.03408	8.3
81.07051	7.5
83.04994	3.5
83.06080	2.3
83.08615	3.1
84.04504	10.2
84.08137	9.2
85.02916	35.9
85.06534	3.9
86.09711	53.9
87.00845	13.6
91.05479	5.4
93.07050	8.2
95.04973	16.0
95.08595	6.6
97.02905	12.0
97.06537	18.7
98.97578	4.7
99.04459	5.9
99.08078	3.6
101.07117	2.1
102.05536	5.2
105.01875	12.6
105.07045	12.2
107.08600	13.4
109.02864	8.4
109.06528	27.9
109.10164	8.2
110.11401	1.7
110.75903	1.7
111.08073	3.8
113.84942	2.1
115.07551	4.5
117.07011	2.8
119.08603	9.5
121.10154	14.2
123.08055	5.9
123.11676	2.8
125.09615	2.6
127.03893	15.7
129.10271	2.4
131.04907	2.6
131.08588	8.0
132.10229	5.4
133.10135	27.2
135.08055	6.0
135.11658	4.6
136.07552	1.9
137.06007	2.9
139.11241	2.4
140.07002	1.9
145.01686	5.1
145.02760	2.3
145.04984	4.4
145.10107	3.5
147.11688	21.8
149.09576	4.0
149.13272	3.7
151.11220	3.2
153.09120	11.0
158.10852	3.1
163.02768	2.3
163.11163	5.8
163.14799	6.9
165.12752	5.4
173.13275	18.4
187.14474	5.2
191.14349	24.8
204.33702	1.8
209.11519	6.0
209.15385	62.7
215.13905	8.0
217.08205	2.3
227.12828	10.2
227.16409	46.0
233.14967	8.5
243.13455	9.8
245.07693	2.8
255.11981	2.9
259.13693	1.9
261.14392	5.0
264.58505	2.1
269.10538	6.1
344.18176	4.0
389.17984	17.5
406.52853	2.0
407.15820	2.0
427.13406	2.6
431.19064	29.8
457.26590	2.3
475.17685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01876	5.2
55.05511	5.0
57.03441	8.3
57.07075	3.1
61.02922	2.8
67.05519	6.2
69.03440	25.3
69.07072	6.3
70.10785	9.8
71.04996	7.9
79.05482	6.3
81.03426	13.6
81.07055	14.0
83.05000	3.5
83.08613	4.9
84.08139	2.0
85.02916	43.1
85.06553	6.0
86.09730	3.8
87.00842	23.1
89.03929	3.6
91.05489	4.7
93.07050	13.0
95.04980	49.0
95.08606	12.1
97.02898	11.6
97.06553	21.3
99.04464	12.6
99.08112	5.8
101.06017	2.7
105.01873	16.7
105.07053	16.9
107.08601	16.8
109.02871	11.5
109.06533	34.9
109.10156	13.8
109.77876	2.2
111.08096	5.7
114.95611	2.6
115.07579	9.9
117.03367	12.0
119.08609	13.1
121.10154	20.5
123.08071	8.0
125.05998	4.2
125.09696	2.8
127.03925	21.1
127.07534	3.2
129.06952	2.5
131.08588	10.9
133.10143	45.7
134.03645	2.1
135.08089	6.9
135.11710	5.1
137.09601	3.1
139.11137	5.5
145.02858	32.4
145.04984	7.9
145.10144	6.1
147.11703	34.2
149.06056	3.2
149.09642	6.1
149.13246	7.1
151.11113	4.2
153.09123	27.8
159.02907	6.4
161.13228	3.1
163.11192	3.1
163.14870	5.0
165.12772	8.4
171.10164	5.7
173.13281	24.1
177.05493	65.6
189.12872	2.7
191.12686	3.5
191.14330	41.0
207.13847	5.5
209.15405	100.0
227.16435	94.0
231.05115	4.1
255.93925	2.3
281.87213	2.4
321.10086	3.1
339.10828	4.7
381.78775	2.3
475.15463	4.3
475.21371	3.0
475.25464	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
53.67647	4.1
55.01865	9.8
55.05514	11.9
67.05512	28.8
69.03435	25.1
69.07077	31.3
71.04990	14.9
71.53947	5.0
76.61206	4.1
78.52232	4.2
79.05500	31.5
81.03426	22.9
81.07057	41.3
83.04989	44.2
83.08609	9.2
85.02912	13.4
85.06534	9.3
86.09702	8.5
91.05482	31.2
93.07038	32.2
95.04985	36.5
95.08599	21.3
97.02884	8.3
97.06525	50.5
97.10152	4.9
98.97599	4.2
99.04441	26.0
100.55059	3.7
100.88142	3.6
101.05958	5.1
104.28793	3.5
105.07034	62.5
107.04955	15.1
107.08592	30.5
109.02869	10.2
109.06509	28.6
109.10166	11.6
111.04458	5.5
111.08057	4.2
115.05424	5.3
117.07041	15.3
119.04941	11.2
119.08581	25.3
121.06516	41.9
121.10159	9.5
123.08072	6.5
125.06004	86.7
125.09605	5.3
127.03928	12.5
127.07526	6.2
128.06158	4.6
128.61777	3.8
129.07037	9.2
130.07811	6.2
131.08572	25.0
133.06494	17.3
133.10132	24.5
135.04474	4.4
135.08064	12.3
135.11697	4.8
137.05962	22.7
137.09624	6.6
139.07549	5.3
143.07039	50.6
143.08588	9.6
144.09384	4.5
145.06517	11.3
145.10129	100.0
147.08078	10.1
147.11707	14.7
149.09560	5.4
151.07571	13.2
153.09094	4.6
154.07747	4.6
155.08557	6.7
157.08629	8.8
157.10150	5.1
159.08116	13.1
159.11693	43.1
161.09648	13.4
163.11168	44.1
165.09120	94.3
169.10144	12.7
172.08804	4.8
173.09607	64.6
173.13289	3.8
175.07516	4.2
177.12764	15.8
179.10707	10.4
184.07356	9.1
187.11179	82.1
189.12830	5.1
191.10637	30.5
191.14322	5.5
193.71280	4.0
197.09662	9.9
205.12247	75.0
207.13734	6.2
209.11685	31.3
209.15381	7.6
215.10681	91.9
223.13283	12.7
227.16502	10.1
233.11713	77.5
247.13281	4.9
251.12807	57.7
259.09729	5.2
269.13867	15.0
275.12732	4.8
285.46976	3.8
377.16071	7.9
383.22153	5.8
395.17157	19.7
413.18271	15.6
474.64862	4.4
475.14767	8.8
475.27518	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	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01878	6.2
55.05515	15.7
57.03429	3.4
57.07064	3.9
59.04997	1.6
65.03932	2.6
67.05507	26.5
69.03438	8.5
69.07076	8.4
69.30891	1.9
69.31289	9.7
71.04995	3.5
75.04480	2.1
75.06631	1.2
77.03971	1.6
79.05496	44.1
81.03425	25.4
81.07065	28.5
83.04976	9.3
83.08620	8.9
83.58132	1.3
85.02916	13.2
85.06535	1.8
87.00833	4.7
91.05488	21.4
92.33022	1.1
93.06485	2.8
93.07049	46.3
95.04974	12.7
95.08615	20.0
97.02881	5.9
97.06536	6.1
97.10163	9.8
99.04468	2.6
105.01859	4.6
105.07028	14.5
107.04961	16.4
107.08601	28.9
109.02901	6.6
109.06525	5.9
109.10149	14.5
111.04408	1.9
111.08066	2.3
115.05459	2.0
116.81524	1.2
117.07029	8.0
119.04980	1.8
119.08583	10.9
121.02874	2.7
121.06508	7.3
121.10094	7.3
123.04449	2.4
123.08059	5.2
123.11673	1.9
125.06002	2.1
125.09651	6.1
127.03928	5.3
128.06235	3.0
129.07025	6.7
131.04968	1.6
131.08560	11.0
133.06488	4.7
133.10121	8.8
135.04436	1.5
135.08060	5.0
135.11702	50.7
135.12735	2.9
137.09639	12.0
137.13226	1.3
139.07535	5.8
139.11105	1.4
141.07022	2.5
142.07918	1.7
143.08562	4.1
145.04956	1.8
145.06505	6.0
145.10146	12.0
147.04420	2.7
147.08093	3.2
147.11719	5.6
149.05983	1.6
149.09650	5.3
149.13272	21.1
151.07582	1.7
153.09099	4.1
153.12743	4.8
155.08565	3.1
157.06537	2.1
157.10138	4.0
159.03036	1.4
159.08086	3.7
159.11751	4.3
160.05222	1.8
161.06004	8.6
161.09598	3.5
161.13272	1.7
163.03976	3.3
163.11186	13.2
165.09125	100.0
167.08578	1.7
169.10123	3.0
171.08147	1.9
173.05956	2.8
173.09628	4.3
173.13251	3.0
175.11221	4.7
175.70709	1.4
177.12746	15.9
181.12242	3.1
183.08138	1.5
183.11720	2.9
185.09615	2.3
185.13063	1.4
187.07576	2.4
187.11192	1.4
189.09094	1.4
189.11363	1.6
191.10698	2.2
193.10651	1.4
193.12231	8.0
195.11824	1.6
195.13722	2.2
197.09756	1.4
199.11171	2.3
201.12759	2.7
203.10643	2.5
203.14308	1.7
205.12218	7.3
207.11752	1.7
207.13644	2.1
209.11850	2.0
209.15378	36.6
211.11212	1.7
213.12828	1.7
219.13870	3.2
225.12726	3.2
227.12782	19.6
231.05063	2.6
231.13873	4.9
233.15527	1.8
243.13818	3.6
247.13287	7.0
249.14825	3.3
255.13556	1.4
257.15298	2.0
265.14285	2.0
269.15448	2.0
271.13358	3.3
273.14963	1.5
285.14789	1.6
287.16342	2.0
289.14407	7.1
303.15970	3.3
337.21756	2.2
349.17795	1.3
355.22766	3.2
365.21158	6.4
383.22186	32.7
401.23343	13.2
419.24191	2.0
421.18552	4.2
421.23672	1.8
431.24411	3.7
439.24854	3.8
457.25970	24.3
475.26953	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83295	0.5
53.03947	1.0
54.68048	0.5
55.01855	0.6
55.05519	0.6
56.96567	4.1
57.03443	0.6
57.07068	0.5
60.78823	0.6
61.02924	0.8
69.03433	1.8
69.21028	1.4
69.21449	4.5
70.06612	1.4
71.05003	1.3
72.08162	1.0
77.59918	0.5
79.05499	0.8
80.31041	0.6
81.03430	3.4
81.07052	1.6
83.04981	1.0
84.04512	0.7
84.08175	0.8
84.96058	0.8
85.02905	3.6
86.09715	2.2
87.00832	1.1
89.03917	4.6
91.05468	0.8
93.07043	1.2
95.04984	2.1
95.08634	0.8
97.02898	2.4
97.06528	0.7
98.97584	5.9
99.04478	0.7
101.05997	0.6
105.01784	0.6
105.07039	1.5
107.05016	0.5
107.08601	2.1
109.02911	1.4
109.06532	0.9
110.97588	1.3
112.99146	1.7
116.98615	1.6
117.03385	14.9
119.08595	1.1
121.06527	0.9
121.10173	1.1
123.08109	0.9
127.00687	0.7
127.03910	1.3
128.98604	1.4
129.02257	1.8
131.00122	1.1
131.08606	0.8
133.10150	1.8
134.03639	0.9
135.04440	0.7
135.11681	1.5
145.01808	1.8
145.02844	40.7
147.03287	1.5
147.11693	0.7
149.05975	6.3
153.01967	0.7
153.09076	1.0
153.12769	0.6
157.93181	0.6
158.99669	2.0
159.03143	0.6
165.12828	0.6
173.01192	1.0
173.13261	1.9
177.05475	100.0
178.05867	0.8
191.14304	1.8
195.06508	1.3
199.06451	2.4
209.15398	3.3
217.07559	0.9
219.01736	3.3
227.09595	2.4
227.16431	2.7
229.07501	0.8
237.02794	2.0
245.10513	3.2
255.09102	0.9
257.06720	0.9
269.10562	3.0
287.11618	1.3
311.11664	0.7
321.06210	0.8
321.09628	2.5
331.02805	0.6
331.10663	1.3
337.11447	0.7
339.02759	1.0
339.10818	6.3
349.11853	0.9
371.13824	0.6
373.11871	0.7
389.14825	9.7
394.04477	1.1
402.04153	1.1
407.15799	2.5
431.15875	5.9
475.15640	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40834	1.1
53.03957	2.4
55.01875	2.9
55.05502	3.1
57.03426	4.5
57.07060	1.5
58.78590	0.9
61.02925	2.4
64.21478	0.9
66.94931	1.0
67.05508	4.5
69.03433	15.6
69.07066	2.4
69.55608	3.7
69.56017	3.0
70.06594	2.1
71.04995	23.1
72.08131	1.0
73.02920	3.0
79.05505	3.0
81.03424	11.8
81.07071	6.7
83.04955	1.6
83.08607	4.1
85.02907	27.3
85.06541	8.1
86.09719	2.5
87.00833	10.6
91.05482	2.2
93.07030	6.0
95.04969	8.6
95.08610	7.0
97.02906	8.6
97.06547	7.2
99.04460	80.3
99.08109	1.6
105.01870	7.7
105.07031	6.6
107.08605	17.5
109.02895	11.4
109.06519	10.5
109.10150	9.9
111.08136	1.1
113.09653	2.8
115.07546	1.4
119.08592	4.4
121.10136	9.7
123.08083	13.3
123.11716	7.3
125.09625	4.9
127.03085	1.7
127.03930	17.9
127.07538	1.2
127.11240	0.9
131.08572	3.9
133.10139	17.8
135.08072	3.1
135.11629	1.6
139.11226	2.1
141.12787	0.9
142.32199	1.0
145.04947	5.6
145.10130	3.0
147.02843	1.5
147.07811	1.1
147.11693	8.9
149.09651	3.4
149.13316	5.4
151.11218	5.6
153.09128	7.1
158.10780	1.4
159.02899	6.4
163.11180	1.8
163.14876	1.5
165.12756	3.9
167.10660	2.6
169.12238	14.9
173.13272	10.2
183.13815	17.5
191.14325	16.3
192.14584	1.6
209.15382	33.0
209.17392	1.7
211.17006	1.2
213.04047	1.2
219.96396	1.2
227.16426	100.0
231.04956	3.5
354.84772	1.1
383.93521	1.0
475.21320	8.2
475.32526	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	475.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19201	0.6
53.03957	0.7
55.01869	1.1
55.05503	1.7
56.05038	0.9
56.96566	1.4
57.03437	0.6
59.80856	0.5
61.02944	0.8
67.05483	1.1
69.03430	2.5
69.07082	1.1
70.06596	4.2
71.04984	2.1
71.52891	0.9
72.07825	0.7
72.08159	3.9
73.02923	1.3
74.06089	1.6
78.88760	0.5
79.05502	0.9
80.71463	0.5
81.03427	1.5
81.07060	2.7
83.04974	1.5
83.08611	0.9
84.04519	3.0
84.08156	2.8
85.02911	8.9
86.09718	15.6
87.00840	2.6
91.05483	1.2
93.07036	2.7
95.04997	3.7
95.08630	2.1
97.02905	2.8
97.06545	3.9
98.97606	1.7
99.04461	2.2
99.08128	0.9
99.75447	0.6
101.07166	0.7
102.05525	1.4
105.01877	2.2
105.07033	3.8
106.09222	0.6
107.08604	2.4
109.02895	1.2
109.06532	5.6
109.10149	1.7
116.07103	0.8
116.98687	0.8
117.07045	0.6
119.08596	1.7
121.06521	0.7
121.10136	3.1
123.08055	1.3
125.05788	1.0
127.03931	3.4
127.08734	0.8
128.98634	0.6
131.04956	1.6
131.08604	1.3
133.10141	5.6
135.08072	1.1
135.11717	1.2
136.07613	0.7
137.06007	1.2
139.11168	0.6
145.01761	1.3
145.02879	0.7
145.10065	0.7
147.11702	3.4
149.09494	1.7
149.13345	0.7
151.11191	0.6
153.09094	3.1
163.02702	0.7
163.11235	1.0
163.14827	1.0
164.07080	0.7
165.12813	1.1
173.13287	3.2
177.05614	0.7
179.14291	0.7
187.14482	2.1
191.14307	4.3
209.11549	7.8
209.15382	12.1
213.12379	0.7
215.13994	2.4
217.08206	0.9
219.01994	0.7
219.13684	0.8
227.09566	1.5
227.12578	11.1
227.16408	7.5
231.16963	0.7
233.14989	1.1
238.99161	0.6
243.13486	1.1
245.06372	2.2
248.12799	0.6
248.49718	0.7
255.12106	2.3
261.14444	2.8
269.10745	2.5
289.05402	0.9
349.61578	0.6
371.16739	1.8
389.17963	14.4
427.12735	1.2
431.18994	36.9
475.17877	100.0
476.18521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52139	0.8
53.03926	1.9
55.01873	1.5
55.05504	2.9
57.03434	2.2
57.07066	1.6
59.05000	0.9
67.05495	4.7
69.03432	35.0
69.07067	5.9
69.27055	4.8
69.27481	3.6
70.06598	1.6
71.04969	1.9
72.08160	1.1
73.02897	2.8
79.05500	4.8
81.03414	5.1
81.07060	4.9
81.90406	0.9
83.04971	3.4
83.08644	1.1
84.04494	0.9
84.08155	1.2
85.02904	12.9
85.06535	2.4
86.09689	2.5
87.00819	4.9
91.05474	4.1
93.07049	5.7
95.04969	2.4
95.08606	6.2
97.02883	5.4
97.06538	6.1
98.21510	1.9
98.97584	1.2
99.04445	3.8
105.01859	5.8
105.07016	4.7
107.08591	11.8
107.84969	0.8
109.02874	4.5
109.06509	4.8
109.10157	2.6
111.08090	1.4
116.10746	2.0
116.98602	2.0
117.01871	0.9
117.06988	1.0
119.08537	4.3
121.06554	4.5
121.10149	6.8
123.08067	3.1
123.11730	3.8
125.09628	13.7
127.03926	9.6
129.01871	1.1
131.08565	6.4
133.10115	5.1
135.08052	8.9
135.11662	4.3
137.06004	5.5
138.06322	2.2
143.08537	1.2
143.43840	1.1
145.04938	3.1
145.10123	4.3
147.11644	5.1
149.09619	7.2
149.13268	2.6
151.11179	1.1
153.09119	4.9
158.10840	2.0
159.02911	2.4
161.09663	1.6
163.03934	0.9
163.11168	2.0
163.14867	3.6
165.12732	3.3
173.02406	1.1
173.13245	17.6
175.07565	1.4
191.14308	74.3
207.13765	1.2
209.15364	100.0
219.01808	1.1
220.69724	1.2
221.15379	1.4
231.05046	1.8
259.09583	2.7
309.31018	1.0
312.12970	1.1
360.23569	1.5
376.12088	1.7
389.10394	1.1
473.81619	1.6
474.14252	8.8
474.20401	1.8
474.27850	11.8
475.15750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
56.96566	0.9
57.03441	1.7
61.02927	1.1
69.03436	5.4
69.07066	0.6
69.26244	3.6
70.06594	1.4
72.08150	1.0
73.02926	1.8
81.03432	1.0
84.08150	1.2
85.02916	13.5
86.03246	0.9
86.09713	100.0
91.03918	0.5
95.26916	0.4
97.02899	4.6
98.03251	0.5
98.97563	0.8
99.04465	1.1
101.00892	0.7
103.67757	0.4
109.02881	0.8
112.99167	0.6
115.02450	0.4
115.03994	0.6
116.98649	0.5
119.01888	1.0
121.02866	0.6
121.06452	0.6
127.03912	6.9
128.98570	0.6
129.10207	0.7
131.00168	1.0
131.01965	0.4
132.10214	90.5
133.03494	0.6
136.06212	1.1
143.01898	2.1
144.01961	0.7
145.01674	0.8
145.04953	4.9
149.01149	0.5
149.88406	0.4
150.07843	0.8
151.01534	0.5
152.05640	0.5
155.01910	1.1
157.01645	0.9
157.03519	0.4
158.99669	0.6
161.02969	1.7
162.03108	0.5
163.02737	0.6
163.06020	0.9
170.99736	0.5
173.02974	1.9
174.99147	0.4
175.02805	0.9
175.04378	0.5
176.09235	0.6
177.83752	0.4
182.05482	0.4
183.05063	1.1
183.55165	0.8
184.04912	0.6
185.02919	1.6
186.03075	0.5
187.02737	0.5
192.05562	1.0
192.55661	0.6
193.03773	0.7
193.05386	0.6
197.02895	0.5
200.04317	0.6
201.00797	0.5
203.04028	1.7
204.04283	0.6
205.03793	0.5
216.04259	0.4
217.03679	0.6
219.01894	0.9
220.07333	0.5
221.05318	0.4
222.05540	0.4
227.04041	0.5
238.06105	0.5
245.05032	3.0
246.05209	2.6
247.04808	1.7
255.57336	0.5
256.07300	0.5
263.06122	1.1
264.07574	0.6
264.57700	1.9
265.07788	0.9
272.06476	0.5
273.08157	3.3
273.58267	2.9
274.08221	2.6
276.06110	0.6
281.07034	1.8
293.07281	0.5
341.51007	0.5
347.26871	0.4
362.09647	0.9
365.09119	0.7
367.08755	1.0
400.09439	0.5
425.11206	0.6
426.11633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52139	0.8
53.03926	1.9
55.01873	1.5
55.05504	2.9
57.03434	2.2
57.07066	1.6
59.05000	0.9
67.05495	4.7
69.03432	35.0
69.07067	5.9
69.27055	4.8
69.27481	3.6
70.06598	1.6
71.04969	1.9
72.08160	1.1
73.02897	2.8
79.05500	4.8
81.03414	5.1
81.07060	4.9
81.90406	0.9
83.04971	3.4
83.08644	1.1
84.04494	0.9
84.08155	1.2
85.02904	12.9
85.06535	2.4
86.09689	2.5
87.00819	4.9
91.05474	4.1
93.07049	5.7
95.04969	2.4
95.08606	6.2
97.02883	5.4
97.06538	6.1
98.21510	1.9
98.97584	1.2
99.04445	3.8
105.01859	5.8
105.07016	4.7
107.08591	11.8
107.84969	0.8
109.02874	4.5
109.06509	4.8
109.10157	2.6
111.08090	1.4
116.10746	2.0
116.98602	2.0
117.01871	0.9
117.06988	1.0
119.08537	4.3
121.06554	4.5
121.10149	6.8
123.08067	3.1
123.11730	3.8
125.09628	13.7
127.03926	9.6
129.01871	1.1
131.08565	6.4
133.10115	5.1
135.08052	8.9
135.11662	4.3
137.06004	5.5
138.06322	2.2
143.08537	1.2
143.43840	1.1
145.04938	3.1
145.10123	4.3
147.11644	5.1
149.09619	7.2
149.13268	2.6
151.11179	1.1
153.09119	4.9
158.10840	2.0
159.02911	2.4
161.09663	1.6
163.03934	0.9
163.11168	2.0
163.14867	3.6
165.12732	3.3
173.02406	1.1
173.13245	17.6
175.07565	1.4
191.14308	74.3
207.13765	1.2
209.15364	100.0
219.01808	1.1
220.69724	1.2
221.15379	1.4
231.05046	1.8
259.09583	2.7
309.31018	1.0
312.12970	1.1
360.23569	1.5
376.12088	1.7
389.10394	1.1
473.81619	1.6
474.14252	8.8
474.20401	1.8
474.27850	11.8
475.15750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2877
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
55.05503	0.8
57.03428	1.4
67.05508	2.1
69.07064	1.2
69.34069	0.5
69.36144	3.1
79.05463	0.8
81.03389	0.6
81.07076	2.6
83.04982	1.4
83.08616	1.0
85.02908	1.0
91.05511	0.6
93.07074	0.8
95.08601	2.1
97.02916	1.1
98.21492	0.8
98.98470	2.9
105.07065	0.8
105.74525	0.4
107.08614	0.5
109.10172	0.9
111.04471	1.2
117.91125	0.4
119.08534	0.5
121.10208	0.8
123.11681	0.5
127.34676	0.5
128.16893	0.4
133.10173	0.6
136.99980	1.6
147.11678	0.6
154.38043	0.5
154.41922	0.5
155.01007	2.3
158.73616	0.5
193.02711	0.5
209.11557	0.6
211.03645	1.0
283.99686	0.5
337.27252	0.7
473.28769	100.0
474.29218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55432	1.5
52.13231	1.7
53.03954	4.1
55.01865	5.0
55.05515	24.2
57.03436	25.3
57.07074	7.9
61.02931	59.5
67.05506	32.8
69.03436	32.5
69.07073	37.7
69.72666	6.2
69.73075	3.2
71.01340	3.6
71.04990	6.3
71.08617	5.5
73.02916	29.5
75.04489	1.9
77.03899	1.6
79.05490	15.2
81.03431	17.6
81.07056	44.4
83.04995	11.8
83.08620	26.6
85.02905	57.5
85.10170	2.6
87.04478	3.0
91.03957	38.9
91.05475	5.2
93.07059	21.1
95.04975	2.3
95.08607	31.0
97.02299	3.0
97.02897	50.4
97.03526	2.6
97.06535	5.9
97.10168	12.7
99.04457	10.7
101.02377	10.2
101.06022	2.0
103.03938	4.7
105.07016	5.5
107.08595	14.1
109.02887	11.7
109.06538	2.2
109.10170	16.9
111.04463	9.3
111.08112	4.1
111.11717	5.0
113.09720	1.9
115.03924	4.7
117.05523	2.4
119.08583	3.8
121.10139	21.8
123.11685	8.4
125.09622	2.6
127.03912	22.8
129.05464	4.9
131.08583	3.6
133.10130	5.9
135.11714	20.0
137.13239	6.9
139.11102	2.5
145.04988	11.1
145.10141	2.6
145.91635	2.4
147.11642	2.4
149.13222	8.2
153.12788	2.0
159.06592	2.5
159.11662	2.4
161.13269	4.0
163.14861	4.3
167.14284	2.1
175.14755	2.9
177.16386	3.3
183.06546	3.5
187.14894	3.8
189.16406	4.1
201.07594	5.0
203.18033	4.7
205.15855	5.6
219.21069	16.0
237.22144	37.1
311.25812	100.0
339.25085	4.1
355.73581	1.8
382.24185	1.7
409.34756	3.0
419.27960	3.5
455.30145	4.5
473.18988	2.3
473.31003	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	473.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01865	1.6
55.05509	2.5
57.03438	1.7
61.02906	1.2
65.03934	1.4
67.05507	8.4
69.03429	25.0
69.07066	6.1
69.47568	3.7
69.47988	2.6
70.06596	1.4
71.04993	2.7
72.08158	4.8
73.02908	1.6
74.60360	0.8
79.05499	5.3
79.64790	0.8
81.03439	6.9
81.07055	9.1
83.04990	2.3
83.08620	1.1
84.04509	1.7
85.02910	11.1
85.06525	1.2
86.09712	6.9
87.00813	4.5
91.05474	4.2
93.07057	7.1
95.04978	7.2
95.08614	6.0
97.02902	6.8
97.06528	4.0
98.21554	1.7
99.04446	1.8
105.01852	2.1
105.07031	12.3
107.04970	1.6
107.08599	5.1
109.02876	4.0
109.06525	6.4
109.10144	3.1
111.08070	3.2
115.03948	0.8
117.07039	1.0
119.08582	8.8
121.06502	3.8
121.10143	7.4
123.04433	13.1
123.08086	5.6
127.03931	8.8
129.07002	1.2
129.09111	1.0
131.08536	1.2
133.06496	3.7
133.10139	14.2
135.08098	1.9
135.11691	2.7
137.05981	4.0
137.09608	7.6
139.11198	8.7
145.04962	2.4
145.10132	2.6
147.08089	2.2
147.11716	9.0
149.09619	3.2
149.13229	0.9
151.07555	3.8
151.11165	2.1
155.03569	0.8
156.09299	1.3
159.02890	2.1
159.11656	1.7
161.13286	5.4
163.11208	4.8
165.12810	2.2
171.11725	4.0
174.10387	1.7
174.96906	1.3
177.12785	1.0
179.14299	2.5
183.60660	0.8
185.04210	1.3
185.16441	1.3
189.12744	12.5
207.13808	100.0
208.14079	1.8
213.16090	1.0
225.14867	24.6
231.05029	1.1
243.08990	1.0
243.13354	1.9
296.10306	1.4
303.04938	1.2
311.12750	2.0
318.79517	0.9
387.13214	2.5
397.86972	0.9
412.86020	1.0
429.14813	0.9
462.19092	1.0
473.08133	9.2
473.15341	11.8
473.20193	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01886	1.4
55.05501	3.9
57.07067	4.0
61.02905	2.3
67.05141	1.3
67.05505	24.9
69.03428	9.2
69.07064	2.4
70.06573	1.4
70.92619	3.1
72.08147	1.2
76.75504	1.1
79.05487	2.8
81.03414	5.0
81.07033	3.2
83.04987	1.8
85.02910	16.4
85.06555	13.4
86.09715	2.5
87.00836	9.1
91.05470	4.1
93.07053	8.8
95.04939	2.4
95.08613	100.0
97.02902	4.6
99.04444	2.3
99.05687	1.1
105.01879	12.2
105.07019	7.8
107.08613	11.2
109.02879	5.2
109.06513	1.6
109.10146	2.3
111.08061	1.5
113.06006	13.4
119.08593	21.0
120.98959	1.1
121.10151	9.3
122.51317	1.2
123.08079	35.5
123.11666	2.2
125.09677	1.1
127.03941	12.7
131.08553	2.3
133.10136	4.6
135.08084	1.6
135.11691	13.9
137.09607	4.2
145.04947	3.6
145.10143	1.7
147.11703	8.1
148.05321	1.0
149.08417	2.0
149.09628	39.9
149.33989	1.1
151.07521	4.7
151.14847	4.7
159.02917	2.4
160.43108	1.3
161.09650	1.3
161.13252	13.4
163.11221	9.4
165.09087	2.0
165.12753	8.2
171.11719	1.9
174.10521	1.9
178.18091	1.3
179.14281	4.0
189.12741	20.4
207.13806	93.1
208.14165	1.4
225.14864	4.8
231.05008	2.6
246.89114	1.2
275.93652	1.2
294.21893	1.3
414.88028	1.4
473.14017	1.9
473.19986	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.22180	1.0
55.01844	1.9
55.05501	4.6
57.03430	1.2
57.07069	4.8
59.05003	2.0
61.02921	1.0
65.02074	1.2
65.03929	1.8
67.05505	24.8
69.03428	9.3
69.07059	2.8
71.04976	2.5
71.43908	1.9
72.08141	2.1
79.05476	4.8
81.03402	3.4
81.07034	4.4
83.04965	3.1
85.02914	14.9
85.06098	1.2
85.06550	16.2
86.09704	8.9
87.00836	9.6
87.10048	1.9
91.05461	6.3
93.07042	9.3
95.04982	2.8
95.08613	100.0
96.08881	1.1
97.02883	4.8
99.04447	2.3
105.01896	10.9
105.07024	7.3
107.08606	9.5
109.02873	5.9
109.06519	3.5
109.10159	2.0
113.06004	15.0
119.08595	21.0
121.10149	8.3
123.08069	37.5
123.11700	3.7
127.03912	8.4
131.08601	1.6
133.06464	1.8
133.10146	3.6
135.08046	1.5
135.11699	18.5
137.09610	3.0
137.13324	2.0
145.04939	5.1
145.10091	1.6
147.08022	3.0
147.11687	7.6
149.09633	42.9
151.07530	5.0
151.14838	4.1
159.02904	1.4
161.13260	14.4
163.11163	10.1
165.09161	1.4
165.12744	9.9
165.23032	1.2
170.91443	1.3
171.11717	1.7
174.10466	1.5
179.14311	4.2
189.12744	20.9
207.13806	83.8
225.14804	4.4
227.98315	1.3
231.04959	1.3
301.66891	1.1
473.13843	4.8
473.20016	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	473.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54174	0.5
53.03931	0.8
55.01873	0.9
57.03149	0.9
57.03436	14.5
61.02936	3.9
64.70193	0.5
66.04704	0.7
67.05499	0.9
69.03432	5.6
69.07063	0.6
70.06602	4.7
71.01356	0.7
71.04997	0.9
71.06922	0.7
71.53508	0.6
73.02919	30.2
74.10361	0.5
79.05500	2.4
81.03407	0.7
81.07050	1.7
85.02902	5.6
86.09695	1.6
87.00811	0.6
87.04466	0.5
91.05480	3.4
93.07019	0.7
94.04205	3.3
95.08611	0.8
97.02889	3.7
97.06527	1.9
98.97573	0.8
99.04445	0.6
103.05476	3.2
104.06269	0.7
105.01849	0.8
105.07050	4.3
107.04974	1.7
109.02890	0.9
109.06506	1.9
109.10194	1.0
115.03937	3.0
115.05438	2.6
117.07034	1.1
119.08588	3.6
120.08188	0.6
121.06499	0.6
122.03665	6.4
123.08041	0.8
127.03926	1.1
128.06232	2.0
129.07016	2.4
131.04945	4.2
131.08563	0.5
132.05701	2.5
133.05089	0.6
133.06453	2.4
133.10136	0.5
137.05981	100.0
141.06981	2.0
143.04996	0.7
145.04958	0.9
146.03654	0.6
147.08058	2.2
147.11725	0.9
149.05994	1.8
151.07550	1.7
151.11174	0.7
156.05742	0.6
157.09776	0.6
159.08067	1.8
160.05237	1.7
161.05980	10.2
163.03920	0.7
163.07538	8.0
163.11194	0.6
165.07013	0.7
169.06560	1.1
171.08070	1.2
173.02264	0.6
175.07552	40.1
184.05238	1.3
187.07541	6.7
190.07779	1.1
191.08585	3.8
199.07529	14.5
201.09117	1.2
202.07774	3.6
203.08562	6.2
205.06612	0.9
207.13814	1.6
208.08875	0.7
209.15291	0.7
218.07304	1.1
219.08069	6.4
220.08798	2.1
229.12070	0.5
231.08080	7.3
232.08804	1.4
233.09572	0.7
236.08421	0.9
237.02733	0.7
247.07533	3.4
248.08348	3.8
249.09103	1.4
251.10646	7.9
259.07574	3.5
259.09634	0.8
260.08286	2.8
261.09158	0.9
262.10040	0.5
263.10742	3.3
265.08600	0.6
266.78391	0.6
275.10403	0.8
276.07892	2.3
277.08557	2.6
279.10181	8.4
289.08591	0.6
290.09430	0.7
291.07080	1.1
291.10138	10.8
292.11041	3.8
293.08047	0.7
295.13272	1.4
296.10443	0.7
308.10443	1.0
311.12796	20.8
323.12787	17.3
325.14288	2.0
347.12854	0.8
425.16425	0.6
429.18698	1.0
473.14178	2.3
473.28119	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	473.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.1
55.01863	6.7
55.05508	9.3
56.96556	3.4
57.03444	18.1
58.34476	2.5
61.02918	7.4
67.05502	15.5
69.03440	19.6
69.07059	11.1
70.06599	28.3
70.78996	2.4
70.79321	4.6
71.04974	8.7
71.06907	3.0
72.08160	6.2
73.02928	35.4
79.05486	12.4
81.03432	14.9
81.07053	17.5
83.04974	9.1
83.08619	8.4
84.08170	3.1
85.02917	35.3
85.06528	9.1
86.09698	20.3
87.00828	8.2
87.04483	5.9
89.06016	8.6
91.05502	17.4
93.07046	17.8
94.04147	3.0
95.04965	12.1
95.08613	14.4
97.02906	16.0
97.06557	13.8
98.97586	8.8
99.04454	10.1
103.05504	4.4
105.01869	5.5
105.07043	27.9
107.04938	5.7
107.08570	17.5
109.02876	14.0
109.06522	16.0
109.10172	58.1
111.04456	3.3
115.03939	6.4
117.06998	4.9
119.08583	19.0
120.08105	3.5
121.06503	4.0
121.10138	12.3
122.03639	6.1
123.08099	14.5
123.11736	6.7
125.05983	5.9
125.09624	3.4
127.03891	23.5
128.06247	3.4
129.07025	2.9
131.04933	6.4
131.08566	4.6
133.06462	5.4
133.08598	4.1
133.10097	8.1
135.08054	8.5
135.11719	8.9
137.05986	100.0
137.09598	5.0
143.08553	3.7
145.06494	4.7
145.10114	5.0
147.08020	5.0
147.11670	26.1
149.09583	10.9
151.07538	25.3
153.12665	3.4
158.97386	7.3
159.02905	4.1
159.08025	3.7
161.05981	10.8
161.13277	4.8
163.03876	3.7
163.07544	7.7
163.11195	5.4
165.09103	8.5
165.12772	26.6
167.10631	5.2
175.07567	37.0
175.11177	3.4
181.12230	5.0
187.07608	4.6
189.12752	8.2
191.08707	3.8
197.04253	3.5
199.07599	18.0
200.98354	2.7
201.12347	6.4
203.08568	7.7
203.10498	2.8
207.13791	58.2
215.05298	4.1
219.08009	5.7
225.08012	3.5
225.14821	20.7
226.09000	3.1
229.11852	9.2
231.05013	3.9
231.08043	6.8
232.08925	3.2
234.98996	11.7
237.09486	2.7
243.06798	6.5
248.08405	4.2
249.14815	5.5
251.10713	7.3
259.07431	4.3
263.10443	4.0
267.06610	3.7
276.99994	5.2
279.10086	5.6
285.07846	17.1
291.10104	12.2
311.12631	25.0
323.12894	15.3
347.04599	3.3
387.10757	21.1
429.12061	9.7
429.18201	2.6
472.83936	2.9
473.13983	33.8
473.19974	52.1
473.26968	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1427
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
53.03942	1.1
55.01870	0.8
55.05512	2.2
56.27530	0.5
56.96571	2.0
57.03444	1.0
61.02929	1.4
67.05510	2.3
69.03439	4.9
69.07069	1.9
69.57026	0.7
70.06603	9.6
71.04991	1.6
71.11181	1.4
72.08163	7.7
73.02908	1.2
79.05502	1.9
81.03420	4.1
81.07063	1.8
83.04987	1.1
84.04511	1.5
84.08139	1.8
85.02908	8.1
85.06554	1.7
86.09710	25.7
87.00813	2.9
91.05486	2.3
93.07029	2.0
95.04977	1.2
95.08617	2.7
97.02887	3.9
97.06538	1.1
98.97606	2.1
99.04463	2.6
101.07130	0.8
102.05558	1.4
102.09215	1.1
105.01877	1.7
105.07011	3.6
107.04927	0.9
107.08610	2.5
109.02896	2.6
109.06530	1.6
109.10199	0.8
111.08061	0.8
115.08703	0.7
119.08588	2.7
120.08130	0.7
121.06498	1.1
121.10159	2.2
123.08054	5.0
127.03931	5.6
131.08588	1.1
133.10153	2.0
135.08064	1.0
135.11739	1.1
136.07651	0.8
137.06000	0.9
137.09677	1.7
144.06517	1.5
145.04977	1.7
145.10144	1.1
147.04443	1.2
147.08005	0.8
147.11685	3.0
149.09663	1.5
151.07564	6.6
159.02972	2.0
159.08105	0.7
161.13327	1.3
162.07617	3.0
163.11201	3.3
165.12721	1.2
167.07079	1.6
167.10710	0.8
171.15010	1.7
175.07628	1.4
177.12727	0.7
181.12244	1.5
183.11469	1.0
185.16505	1.0
185.57288	0.6
189.12790	3.2
191.14330	0.9
199.14453	2.4
199.18095	4.6
201.05573	1.6
207.13817	9.8
213.05585	1.1
213.07956	1.3
213.16031	0.9
219.01942	0.7
223.13347	0.8
225.14871	13.0
225.16913	1.1
227.17657	1.4
229.15540	2.7
231.04976	0.9
234.73032	0.6
235.07588	0.9
239.03363	4.0
243.09067	2.7
243.13501	0.7
261.10223	1.0
275.16119	3.6
275.20233	0.9
281.11920	0.8
293.17532	0.7
293.20981	0.8
299.05569	1.4
312.22873	0.9
319.09448	0.6
320.06821	0.8
335.09412	1.2
367.11841	2.4
385.12646	0.7
387.13214	4.3
390.74109	0.8
405.14526	2.5
429.15158	13.1
429.20889	0.9
455.13358	1.0
473.14279	100.0
473.20505	8.7
473.24579	4.0
474.14621	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47857	0.8
56.96556	1.6
71.53383	1.4
91.05473	1.6
98.97597	1.4
115.05398	1.2
117.05747	1.3
117.06969	1.3
118.06535	18.7
130.06546	2.1
132.08104	5.3
132.08966	0.9
142.06541	1.5
142.61026	0.8
143.07326	2.5
144.08112	13.2
146.06015	62.4
159.09177	6.0
160.07561	1.3
170.05995	5.0
188.07076	100.0
205.09735	43.5
219.01682	1.2
234.87509	1.1
375.28076	0.9
471.21582	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	2.1
53.03941	2.9
55.01873	4.2
55.05515	11.9
56.96561	2.6
57.18120	1.6
58.99599	17.4
64.88355	1.7
65.03927	2.0
65.09838	1.9
67.05181	2.3
67.05513	27.0
69.03414	3.6
69.07074	80.4
70.06582	2.8
71.04988	3.1
71.53920	1.7
76.02233	92.9
76.03967	2.1
79.05495	19.9
81.03421	5.5
81.07062	26.4
83.04985	5.9
83.08607	7.1
85.02898	5.6
85.06549	2.0
86.99044	6.1
88.02181	3.2
91.05481	23.4
91.46291	1.6
93.07059	15.7
95.04961	5.3
95.08618	26.6
97.02892	2.1
97.06544	12.1
97.10164	8.0
98.97592	2.5
105.01923	2.2
105.07050	16.2
107.04993	3.5
107.08617	11.1
109.02863	2.3
109.06516	3.3
109.10137	10.2
110.97531	2.6
113.09695	2.5
116.01675	25.5
117.07024	5.0
119.08608	15.2
121.06501	3.7
121.10130	6.3
123.08031	3.2
123.11693	3.5
125.09646	8.3
127.03895	2.2
129.07079	2.9
131.08531	4.9
133.06575	1.8
133.10161	13.2
135.08055	4.3
135.11693	6.2
137.09566	2.9
144.01157	17.2
145.10123	5.8
147.11681	2.9
149.09631	15.3
159.07913	2.2
159.11703	6.4
161.13266	10.7
162.02214	55.9
163.11169	8.3
165.09138	3.8
171.11665	2.7
172.07886	7.6
177.12730	2.7
179.04871	100.0
179.14323	14.1
187.03865	1.9
187.11116	3.0
189.11197	7.4
200.07430	8.3
233.15361	3.3
241.05054	1.8
257.18936	4.4
261.14722	2.5
275.20090	51.5
279.15884	5.5
293.21140	20.6
309.20636	2.3
319.36084	2.0
323.40674	1.8
359.16428	11.6
385.87961	2.1
435.21573	2.9
453.23685	6.1
456.94177	1.8
471.25613	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	471.2719
Annotation	Stigmatellin X
Peak:m/z	Relative Intensity
57.24146	0.6
58.58245	0.5
58.60025	0.5
62.98886	0.4
67.05496	1.0
69.51242	3.7
79.05509	0.7
81.07062	1.6
82.38824	0.6
91.05445	0.8
93.07042	0.6
95.08608	1.3
98.21584	0.9
105.07036	0.7
119.79350	0.5
121.10114	1.1
133.10188	0.9
135.11708	0.6
161.13246	0.6
172.95216	0.7
231.01611	0.6
262.34302	0.6
471.27197	100.0
472.27518	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03734	1.0
53.03949	8.9
55.01875	9.7
57.03436	6.0
61.02930	6.0
67.05499	1.1
68.99796	3.1
69.03434	29.5
70.04073	1.1
70.06577	0.9
71.04980	6.6
71.09338	1.0
71.11505	1.8
73.02916	10.8
79.05516	1.2
81.03423	31.7
81.07050	2.2
83.01334	1.3
83.04977	2.1
85.02909	96.2
85.06554	2.3
85.58591	1.0
87.00832	35.2
87.04462	1.6
91.03946	3.5
91.05489	2.3
93.07027	2.0
95.04983	1.7
95.08617	1.3
97.02895	55.5
97.06548	5.3
98.97591	2.2
99.04463	19.1
99.86970	0.8
105.01872	62.4
105.03381	21.4
107.04987	1.1
109.02886	33.2
109.05765	1.1
109.06509	1.9
109.10180	1.0
111.04430	2.0
115.03888	2.7
117.01857	4.2
119.08652	1.2
123.04424	5.5
127.03923	100.0
129.01831	5.5
145.04964	64.8
147.02832	4.4
147.08110	1.6
151.07703	1.0
159.01575	1.4
159.02893	25.6
163.03961	2.7
165.09108	3.2
175.07571	1.3
177.03996	2.1
189.03941	3.2
189.09108	5.3
193.08606	2.1
211.09680	2.1
213.03876	4.9
215.07007	1.6
224.17348	1.6
227.99329	1.0
231.05032	33.8
249.06113	9.2
259.09714	3.1
279.04111	1.1
315.10760	4.0
407.10162	1.3
417.84341	0.9
449.11417	1.3
472.22278	18.1
473.14108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1825
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
55.05496	0.4
56.96564	15.4
61.02917	0.3
67.05496	0.7
69.07070	0.4
71.54817	0.3
71.95274	1.9
72.96039	1.0
73.02866	0.3
74.97601	0.5
79.05499	0.5
81.07049	0.6
84.96024	1.6
85.02928	0.4
91.05471	0.4
93.07024	0.6
95.08615	0.7
97.45546	0.3
97.96832	0.7
98.97582	1.0
102.92604	3.5
105.00159	0.5
105.07015	0.3
107.08601	0.3
110.63816	0.3
110.97586	3.2
112.29429	0.3
112.99113	1.0
115.97832	0.6
116.98594	0.6
118.92078	6.8
119.08584	0.3
120.93661	0.4
121.10065	0.3
123.01202	0.6
128.98615	4.0
131.00195	1.0
136.93117	39.8
137.02739	0.7
138.31827	0.2
141.02165	0.3
143.00186	0.6
146.99677	1.4
147.03206	0.3
151.04305	0.5
152.00230	0.3
154.94170	69.5
155.03760	0.4
159.94801	0.3
161.01199	0.6
169.01604	0.3
169.05406	0.4
171.03287	0.8
172.95238	73.1
174.94629	0.4
177.95770	5.8
180.95700	0.7
185.04832	0.4
189.04344	0.8
190.96283	21.8
192.95699	2.8
195.06941	0.3
195.96832	8.8
197.08607	0.4
198.96768	1.0
199.06447	0.5
203.05893	0.5
206.00340	0.3
208.95354	0.3
210.96794	19.8
212.98373	2.4
213.07982	0.4
213.97871	2.3
214.96223	0.5
216.97916	0.4
218.98442	0.5
225.08330	0.3
227.09526	0.8
228.97859	31.1
230.99425	0.9
233.05359	0.3
233.98399	3.5
235.99915	0.5
239.09489	0.6
245.10603	0.6
246.98965	3.1
251.99463	3.7
257.10760	0.4
265.11099	0.4
270.00574	0.3
275.00732	0.4
277.11096	0.5
279.12646	0.7
291.12521	0.3
305.14099	0.4
315.16272	2.1
317.17880	72.9
318.18204	0.9
333.17343	2.7
335.18927	21.8
336.19168	0.4
353.19785	0.6
355.19559	0.4
356.19147	0.5
358.16257	1.6
358.20477	10.9
358.66748	0.3
373.20618	1.7
379.13062	0.3
397.14542	6.7
411.16150	1.8
415.15805	0.5
453.17139	66.7
454.17532	1.0
471.18225	100.0
472.18478	1.7
487.07922	0.3
494.19791	20.1
495.20001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07414	0.1
53.03945	0.6
55.01865	0.4
55.05511	0.8
56.05035	0.2
56.96555	0.4
57.03427	0.6
57.07069	0.2
58.29603	0.2
61.02939	0.3
67.05499	0.7
69.03426	1.6
69.07067	0.2
70.06587	1.2
71.04997	0.5
71.53616	0.1
71.54150	0.4
73.02911	0.5
78.04710	0.6
79.05492	0.9
81.03416	1.3
81.07063	0.8
83.08615	0.5
84.04533	0.2
84.08146	0.5
84.96069	0.2
85.02905	2.6
85.06543	1.1
86.09698	0.6
87.00831	1.0
87.04475	0.3
91.05482	0.5
93.07055	0.5
95.04986	1.0
95.08625	0.5
97.02895	2.2
97.06539	0.2
98.06055	0.2
98.97566	1.2
99.04453	0.6
100.11255	3.6
105.01869	0.9
105.07053	0.5
106.04160	0.3
107.04954	6.3
107.08603	0.5
108.64662	0.2
109.02901	1.7
109.06521	0.5
109.10142	0.6
110.07145	0.3
110.97548	0.4
111.04436	0.4
111.08111	0.2
112.07609	0.2
115.03946	0.3
116.98592	0.4
119.01963	0.2
119.04983	0.4
119.08572	0.5
121.02802	0.2
121.10143	0.8
123.04423	0.2
123.08077	0.4
123.11683	0.3
125.09631	0.3
127.03925	1.9
128.07062	0.3
128.98602	0.2
131.08589	0.2
133.02876	0.2
133.05011	0.2
133.10146	0.4
134.03584	1.0
135.04407	2.4
135.08073	0.3
137.05954	0.2
137.09648	0.3
143.00163	0.2
145.02850	0.5
145.03955	0.4
145.05014	0.5
145.10161	0.3
147.04446	0.2
149.02344	0.2
149.09642	0.3
153.09158	0.2
158.99648	0.3
159.02864	0.4
161.01242	0.2
161.03006	0.3
162.01775	0.3
162.03127	5.9
163.03922	5.3
163.05144	0.1
163.11237	0.3
167.07069	0.3
170.99620	0.2
173.13274	0.3
177.00623	0.2
177.05502	0.4
177.16371	0.4
179.03378	1.9
179.07005	0.2
180.04198	0.5
182.15411	0.6
190.02615	10.3
191.03384	0.4
191.14459	0.2
191.51231	0.2
193.01363	0.7
194.02042	0.8
195.06560	0.6
201.00682	0.2
203.04031	0.3
205.01427	0.2
205.15887	0.4
207.02901	3.2
207.13846	0.2
208.03667	8.4
209.16524	0.6
210.14957	1.2
211.07338	0.2
219.01790	0.5
223.06010	100.0
224.06332	0.8
227.17535	0.2
231.04996	0.3
237.02925	0.4
269.09665	0.2
280.10471	0.2
289.09720	0.2
291.14536	0.2
291.19498	0.4
301.12637	1.2
307.10516	1.3
308.10889	0.2
309.20428	0.2
321.17383	0.2
358.12006	0.2
413.18036	0.3
421.13788	1.7
427.14932	0.2
470.69257	0.3
471.22858	11.0
471.35397	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	470.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.05507	10.3
55.19009	2.0
57.03434	2.5
65.07973	2.1
67.05508	49.6
69.07079	12.9
69.07403	2.4
71.04980	2.7
79.05497	23.4
81.03416	2.7
81.07056	69.9
83.04993	6.5
83.08636	15.7
85.06544	5.3
88.69099	1.7
91.05476	20.1
93.06485	3.2
93.07047	45.9
95.04986	6.2
95.08053	2.9
95.08611	27.5
97.06552	11.0
97.10197	2.3
98.20747	4.4
99.08082	4.0
105.07055	10.0
107.08600	24.0
109.06558	2.4
109.10136	5.4
111.08076	7.4
117.07047	10.0
117.07801	1.8
119.08602	4.7
120.04808	2.2
121.06518	2.2
121.10145	14.5
123.11729	2.8
129.07024	2.3
131.08586	15.3
133.10139	21.8
135.08092	2.9
135.11693	21.9
145.10129	3.5
149.13266	40.5
151.11168	2.5
154.08981	1.7
157.10164	2.6
159.10448	3.7
159.11687	32.1
169.10051	2.2
177.12755	24.8
178.10410	1.9
191.33388	2.0
195.13818	99.0
209.15341	3.8
213.14917	28.8
227.16428	100.0
231.10706	2.4
262.81564	2.2
280.98892	1.8
350.09085	1.8
353.24908	2.1
371.25787	2.3
402.78568	1.8
403.28625	4.4
417.29947	4.3
420.12903	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
57.03435	3.4
67.05180	4.0
67.05506	49.5
69.07076	14.1
71.04983	3.7
79.05491	22.5
81.03415	4.8
81.06596	4.8
81.07061	72.6
83.04964	6.1
83.08608	10.2
85.06546	4.7
87.04472	16.4
89.06004	6.7
90.06364	4.1
91.05484	19.8
93.06485	3.4
93.07047	40.2
95.04969	5.9
95.08602	25.1
97.06520	8.7
105.07037	12.3
107.08594	27.3
109.10177	5.3
111.08088	6.3
117.07027	13.6
119.08578	7.9
121.10144	13.9
125.09667	3.4
125.91302	2.2
131.08542	17.7
133.10162	19.7
134.98207	3.4
135.08078	4.0
135.11708	18.1
145.10074	5.5
147.11626	2.5
149.12054	2.8
149.13266	40.3
151.11165	3.1
157.10170	2.6
159.11707	29.8
177.12738	21.8
195.11993	5.4
195.13817	99.0
209.15367	6.6
213.14851	31.1
227.16437	100.0
234.22328	2.8
235.16989	2.4
284.17929	4.1
291.39621	2.6
371.26028	3.5
403.28372	7.7
411.07407	2.6
417.30139	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43973	5.8
53.03946	13.8
54.68851	6.4
55.01862	17.4
55.05510	25.0
56.96566	12.7
57.03437	10.0
57.07067	6.5
61.02923	12.3
65.03922	8.0
67.05508	62.5
68.99768	9.0
69.03433	27.9
69.07080	37.1
70.05931	23.9
71.05013	13.0
73.02926	8.3
79.05473	30.8
81.03418	38.3
81.07066	80.0
83.04981	17.1
83.08627	8.8
85.02914	75.7
85.06531	6.6
87.00843	24.3
91.05499	43.5
93.07049	92.5
95.04939	8.9
95.08615	68.7
97.02907	33.7
97.06528	35.7
98.97606	8.2
99.04477	13.7
105.01906	19.1
105.07030	77.5
107.04958	6.9
107.08598	80.7
109.02908	30.9
109.06517	10.7
109.10172	77.2
111.04475	9.7
111.08076	15.5
111.44433	5.6
115.03932	10.9
117.07023	17.2
119.08587	72.1
121.06499	8.4
121.10166	48.3
123.08074	7.1
123.11714	16.1
125.09648	26.1
127.03949	44.2
129.07002	8.0
131.08563	29.4
133.10153	35.6
135.08057	14.9
135.11723	37.9
137.09637	12.4
143.08611	8.8
145.04967	13.8
145.10115	39.4
147.11697	100.0
149.09608	13.6
149.13263	8.6
151.11250	9.6
157.10071	15.4
159.02934	7.4
159.08191	7.2
159.11720	18.0
161.09659	7.3
161.13254	21.8
163.11258	8.0
165.12717	10.6
167.72926	6.3
169.10199	10.2
171.11687	7.8
175.11194	7.5
175.14844	12.3
183.11679	8.0
185.13344	8.9
191.10635	8.6
195.11729	8.7
199.14864	8.1
201.12685	10.3
201.16412	12.6
203.17978	67.0
213.16354	8.0
215.18033	10.0
221.19035	16.8
231.05090	7.5
231.17537	6.8
243.17558	8.1
245.19157	9.5
257.18811	8.1
272.30725	6.6
285.10056	8.8
293.19147	6.4
311.20087	24.5
329.21106	13.0
347.22168	8.9
433.21817	14.0
451.22467	17.8
469.20480	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	469.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62260	0.8
57.12833	0.7
57.34361	0.8
71.53217	0.8
71.53671	1.1
74.67482	0.8
86.10058	0.9
97.01389	1.2
101.00874	6.8
103.02477	1.3
111.03001	1.4
115.02436	22.7
119.01926	6.9
127.02492	1.1
129.03989	3.3
133.03481	50.8
141.03958	6.5
143.01920	2.0
145.03500	1.9
146.12778	1.0
147.05040	5.0
151.04518	4.7
159.05048	30.0
161.02982	2.6
167.01903	1.3
169.03490	1.4
173.02962	2.6
177.06111	23.6
177.07611	0.8
185.03015	3.6
185.06677	1.0
187.04558	3.2
195.05200	2.1
195.07149	12.1
197.06584	4.3
199.04605	1.7
203.03986	1.3
207.23412	1.0
209.02969	1.3
213.02415	8.0
213.06027	2.1
215.07614	2.9
219.07187	2.5
227.04012	5.5
231.03577	5.8
241.05615	3.3
243.07170	8.3
245.05099	9.3
259.06650	3.6
263.06195	1.4
271.06631	17.8
272.48779	1.0
289.04660	1.6
289.07669	10.8
295.09009	1.5
295.12427	3.5
305.07278	1.1
305.10812	1.0
307.08572	0.9
315.05603	24.7
315.09207	1.6
333.06680	100.0
334.06815	2.7
351.07687	1.6
468.48413	0.9
469.13239	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	469.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17213	0.6
59.73150	0.7
71.52544	0.9
85.01416	1.4
85.02918	0.9
97.01401	1.4
101.00888	6.5
103.02464	1.0
107.74695	0.7
115.02438	18.3
119.01937	5.9
127.02485	0.9
129.03986	3.0
131.01874	0.9
133.03477	49.2
141.03957	5.0
143.01884	3.7
145.03522	2.2
147.05023	4.2
151.04489	5.1
155.01877	1.2
157.03596	0.8
159.05040	28.5
161.02959	1.7
167.01945	0.7
171.05089	1.0
173.02969	1.3
175.04529	1.0
177.06107	20.0
181.03508	1.5
185.02966	2.2
185.06641	1.1
187.04507	2.5
195.05310	1.5
195.07147	15.0
195.08794	1.1
197.06638	3.1
199.04556	1.2
201.06114	0.9
203.04022	0.9
205.42839	0.8
213.02501	6.3
213.06123	3.0
215.07643	2.5
219.07208	2.8
223.04585	1.9
227.04050	4.0
231.03531	6.0
241.05577	4.4
243.07175	9.6
245.05086	4.9
247.04890	0.9
259.06671	3.5
263.06146	0.8
267.03497	0.7
271.06656	18.9
275.09808	0.7
289.07697	9.8
294.98123	1.2
295.08817	1.9
295.12424	6.7
305.10849	1.1
312.09607	0.9
315.05603	20.5
333.06683	100.0
351.07562	1.1
351.11435	2.8
366.68811	0.8
386.04138	0.8
469.11691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59119	0.4
55.01865	0.7
55.05502	0.9
56.96549	0.4
57.03429	0.9
61.02907	0.5
67.05521	2.0
69.03416	1.2
69.07053	0.5
69.95088	0.4
70.06590	2.6
71.04995	0.9
71.53613	0.4
71.54015	0.6
72.08143	0.5
73.02904	0.9
79.05493	1.2
81.03380	0.7
81.07048	1.8
83.04969	1.1
83.08631	0.4
84.04515	1.0
84.08134	1.0
85.02916	2.0
85.06540	0.7
86.09702	1.1
88.91068	0.4
91.05463	1.3
93.07040	1.1
95.04958	1.3
95.08595	1.1
97.02880	0.7
97.06516	0.7
98.09690	0.4
98.97577	0.9
100.11246	0.7
105.07021	0.8
107.08582	0.9
108.04453	0.4
109.02846	0.7
109.10146	0.7
110.07206	0.4
111.04459	0.5
119.08582	0.5
120.08111	2.8
121.10132	1.1
123.04370	0.8
124.07637	0.6
127.03939	0.8
128.06247	0.4
129.10242	0.7
130.06535	1.2
133.10136	0.8
135.11665	0.8
137.02347	0.4
149.06070	0.4
157.07553	0.6
161.09685	0.4
163.03996	0.5
169.10266	0.5
173.05975	0.5
175.03716	1.5
175.07516	0.5
175.14848	0.4
177.05499	0.8
183.06476	0.4
185.04320	0.9
185.09650	0.5
187.07565	1.2
189.09145	0.8
191.07074	0.6
191.10721	0.5
195.08003	0.5
201.09105	0.4
203.03592	0.5
203.06975	0.5
213.09097	1.4
215.07076	0.8
217.08687	0.7
218.17375	0.4
229.06917	2.8
231.10220	0.8
233.08080	0.5
235.09650	0.9
249.05521	0.5
253.21680	0.9
259.09714	0.8
271.14566	0.5
271.22644	1.8
273.34717	0.4
277.10748	6.3
289.23691	1.0
295.06134	0.4
317.08469	13.7
333.12289	0.4
337.08926	1.8
350.14844	0.5
437.10458	0.6
451.32870	1.1
469.13181	100.0
469.20212	9.8
470.13718	0.9
476.87527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74726	0.1
55.05485	0.1
56.05029	0.5
57.03441	0.2
58.06628	0.5
59.07401	0.1
60.08163	5.7
67.05493	0.4
69.07088	0.2
69.54153	0.1
70.84695	0.3
71.04981	0.1
71.07376	2.7
79.05485	0.4
81.03406	0.4
81.07055	0.5
84.08130	0.1
85.02901	0.5
86.09706	29.2
91.05480	0.5
95.04985	0.2
95.08597	0.2
98.98468	2.3
100.54504	0.1
104.10748	3.4
105.07033	0.3
115.05461	0.1
119.08601	0.2
125.00004	20.1
133.10089	0.1
143.01036	0.1
157.09996	0.1
166.06198	0.1
175.11232	0.1
184.07339	100.0
185.07637	0.2
205.16859	0.1
258.10950	0.2
285.17050	0.2
304.05255	0.3
305.05692	0.2
306.05792	0.3
309.15439	0.1
450.22690	1.2
468.17044	0.3
468.23587	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	468.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05495	0.5
56.05015	1.0
57.03430	0.8
57.29499	0.3
58.06615	0.9
60.08168	10.5
67.05495	1.2
69.03424	0.3
69.19955	2.9
70.06575	0.5
71.04996	0.6
71.07050	0.4
71.07383	4.8
78.55576	0.3
79.05476	1.2
81.03426	1.6
81.07056	1.9
82.02953	0.3
83.04972	0.6
83.08589	0.4
84.08127	0.5
85.02898	1.9
86.09710	40.3
91.05479	1.2
93.07037	1.3
95.04952	1.0
95.08603	0.9
97.06532	0.6
98.98479	2.4
99.04488	0.5
101.89230	0.3
104.10751	52.1
105.07028	1.3
107.08585	0.8
107.64298	0.3
109.06549	0.5
109.10132	0.3
111.08056	0.7
119.08604	0.5
121.06530	1.5
125.00014	24.0
127.03949	0.5
133.10118	0.4
139.07518	0.5
139.86469	0.3
147.11732	1.2
148.24683	0.3
157.10109	0.4
163.01550	0.5
165.12772	0.4
169.12421	0.4
171.11729	0.3
175.11250	0.8
184.07350	100.0
185.07761	1.2
186.07782	0.6
187.07597	0.4
189.12756	0.5
191.08240	1.3
193.12294	0.8
199.11229	0.4
207.13939	0.5
211.13359	0.7
215.07031	0.7
217.12320	1.3
229.14699	0.4
235.13324	2.5
253.14450	2.6
258.11343	0.4
259.09787	1.4
271.15390	0.7
289.16605	0.7
303.05072	0.4
304.05478	0.6
305.05795	0.7
306.05930	1.0
378.35229	0.4
450.22577	4.6
468.24048	26.1
469.24561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01858	2.2
55.05506	3.3
57.03440	1.4
60.08170	4.2
65.03936	1.3
67.05512	7.2
68.17513	0.6
69.03423	2.6
69.07076	6.0
69.62711	4.6
70.06590	2.2
71.01335	2.6
71.04993	2.3
71.07354	1.5
71.18435	0.7
75.83772	0.8
79.05499	5.2
81.03416	0.8
81.07056	1.9
83.04986	6.6
84.08145	1.3
85.02895	3.3
85.06546	1.0
86.09711	20.1
87.10033	2.7
87.38933	0.7
87.53566	0.7
89.03926	0.7
91.05474	3.0
93.03412	1.1
93.07043	2.0
95.04974	12.7
97.02884	1.3
97.06530	25.0
98.97594	1.1
98.98471	1.6
99.04440	0.9
99.26206	0.7
104.10733	6.5
105.07051	1.8
107.08553	1.0
109.02874	2.5
109.10160	1.3
111.04437	3.3
115.05445	3.2
117.03361	1.5
117.06978	1.3
119.08569	1.2
121.02817	1.1
121.06540	0.7
121.10174	0.8
123.04428	3.3
125.00000	12.4
126.00298	0.9
127.00437	1.1
127.03922	1.1
128.06255	1.0
129.05443	1.2
129.06950	1.7
131.04956	1.3
131.08525	2.4
133.06499	2.7
133.10147	0.8
135.04442	2.7
139.03883	0.8
141.07002	5.8
142.07744	1.2
143.04860	0.9
143.08549	3.1
145.02824	1.4
147.04404	2.4
149.05971	1.2
157.04933	1.4
157.06493	1.0
157.10115	1.0
159.08096	1.3
160.05209	8.7
161.02261	1.1
161.05983	30.7
161.09605	0.9
163.03905	36.1
165.05476	1.6
165.07024	0.7
167.08588	4.7
169.06483	5.1
171.08017	1.7
173.05975	7.9
174.06773	1.0
175.03912	3.9
175.07516	1.7
177.05470	1.2
184.07352	59.7
185.06079	1.3
185.07693	6.3
185.09624	2.1
186.07845	6.0
187.07513	3.3
189.01855	2.4
189.05420	1.8
189.09114	37.5
195.08090	5.8
197.05959	2.2
199.07570	0.9
199.11501	0.8
200.04704	2.5
203.07114	1.0
203.10709	1.0
207.02884	1.4
209.04538	1.4
213.09097	11.3
215.07019	41.8
215.10663	2.7
217.08601	12.2
223.07593	0.8
231.10136	7.8
233.08185	2.5
241.08601	4.4
249.11188	2.6
251.23689	0.7
252.09222	1.0
259.09671	100.0
260.10092	1.3
271.15213	1.1
277.10703	10.9
450.22647	1.0
468.15875	1.5
468.23819	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	467.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67182	1.5
55.05515	7.1
57.03444	11.4
57.07084	33.7
60.26283	1.2
67.05509	14.8
69.07068	7.5
71.08638	24.9
71.54448	1.4
79.05534	1.8
81.07066	10.6
83.04981	1.6
83.08620	8.5
83.62399	1.3
85.06509	1.4
85.09731	1.5
85.10197	14.5
89.05982	1.8
89.55984	1.3
93.07044	1.3
95.08064	1.8
95.08611	20.1
97.10165	4.3
98.98474	41.3
98.99120	2.0
109.10174	9.1
118.74963	1.3
123.11700	2.5
137.00011	2.9
155.01056	46.0
183.08266	1.4
191.19673	1.2
211.03705	2.1
229.04691	2.9
239.23694	5.7
313.27386	100.0
338.27777	4.6
393.23950	4.2
449.26599	15.5
459.63174	1.4
467.37268	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	466.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.07079	5.7
58.06609	1.7
65.03935	1.9
65.40256	0.2
67.05524	0.3
69.19783	0.5
69.20190	2.6
70.06597	15.5
71.08646	2.7
72.08151	0.4
75.27776	0.3
79.44707	0.3
84.08128	0.4
85.10165	0.6
88.07636	17.0
91.05443	0.4
93.07057	0.3
100.11256	0.3
102.09184	13.1
121.02851	0.9
132.10204	0.6
139.03886	0.8
146.11775	0.6
149.02354	47.5
149.03427	2.7
152.12593	0.3
159.15935	0.3
162.96475	0.3
193.04974	47.0
212.23756	0.6
237.07584	55.5
238.08061	0.6
256.26367	41.5
257.26651	0.3
300.29092	1.5
304.05353	0.4
404.70966	0.3
450.09488	0.4
466.31668	100.0
467.31952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54549	1.0
53.03932	3.5
55.01861	2.5
55.05503	2.5
57.03422	1.8
61.02907	1.2
65.03927	1.5
67.05502	5.5
68.99773	2.4
69.03431	13.7
69.07061	3.0
71.04983	2.6
73.02911	2.8
76.10265	1.2
78.64017	1.2
79.05480	4.3
81.03427	15.9
81.07062	10.7
83.04937	2.1
83.08562	1.9
84.18220	1.1
85.02915	22.1
87.00841	8.7
91.05489	9.0
93.07053	22.3
95.04960	2.8
95.08611	15.2
97.02903	9.2
97.06534	2.3
99.04446	5.0
101.02410	1.4
105.01849	4.7
105.07038	15.6
107.04981	1.3
107.08595	21.3
109.02884	10.6
109.06508	1.8
109.10154	13.6
111.08050	1.7
117.01907	2.1
117.07028	5.3
119.08586	21.6
121.06495	1.4
121.10153	9.8
123.04453	2.2
123.08020	1.6
123.11685	1.4
127.03006	1.6
127.03921	22.5
128.06184	2.0
129.01770	1.7
129.07004	4.5
131.08571	18.1
133.10150	7.7
135.08086	2.1
135.11702	3.5
142.07707	1.3
143.08562	5.3
144.09323	1.4
145.04958	5.3
145.10130	36.3
147.02864	2.0
147.07959	1.9
147.11685	4.1
155.08562	2.0
157.10173	6.8
159.02902	5.0
159.11699	22.9
161.13261	3.2
169.10165	1.7
171.11671	2.8
173.13304	12.5
175.14777	2.1
183.11627	1.4
185.13310	3.1
187.14803	4.6
187.96706	1.3
191.17998	1.3
191.92847	1.2
197.13126	1.4
199.11165	1.3
199.13234	1.4
199.14827	8.8
201.16382	100.0
203.14362	1.3
203.17897	3.3
211.14749	1.5
213.04024	2.3
213.16330	3.1
217.15959	3.2
219.17451	33.9
225.16280	1.2
229.15790	1.8
231.04950	4.9
231.17461	1.7
243.17358	2.3
258.50867	1.2
309.18600	3.4
327.19540	3.3
345.20538	3.2
387.21759	2.6
413.19733	2.2
431.20697	7.0
449.21713	13.3
467.22354	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01863	0.9
55.05500	2.5
56.96556	1.0
57.03440	5.2
57.07051	1.2
60.08163	0.9
61.02915	1.9
64.81576	0.6
67.05508	18.9
69.03428	1.6
69.07073	5.7
69.34049	4.6
71.01347	0.6
71.04978	2.0
73.02919	1.9
79.05499	9.4
80.60738	0.6
81.03413	2.3
81.07059	29.7
83.04984	2.3
83.08615	5.1
85.02911	3.8
85.06515	0.9
86.09720	3.7
91.03953	1.0
91.05487	5.2
93.07047	17.3
95.04976	1.3
95.08608	7.9
97.02865	2.8
97.06542	5.3
99.08050	0.8
101.06066	0.6
105.07024	2.1
107.08594	9.5
109.06508	0.7
109.10172	1.1
111.08070	3.0
113.09644	0.6
115.03939	1.6
117.07015	2.6
119.08596	1.2
121.06542	0.8
121.10163	6.7
123.11736	1.3
124.99995	2.0
127.03913	1.6
131.08551	2.8
133.10136	2.8
135.08069	0.7
135.11705	3.4
137.13264	3.7
139.11180	0.6
145.04976	1.1
147.11624	1.0
149.13263	13.8
159.11664	6.5
177.12735	5.4
179.14421	1.1
184.07341	12.2
195.13828	5.4
211.13277	0.6
213.14885	1.3
231.48666	0.6
233.12138	0.7
251.16451	0.7
269.17487	100.0
293.44363	0.6
303.04929	0.6
304.05450	1.2
431.22791	1.2
467.18405	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11313	0.5
53.03949	1.2
55.01871	1.1
55.05513	4.1
56.96535	0.5
57.03435	6.0
57.07067	1.2
60.08149	0.7
61.02912	2.4
67.05508	20.2
69.03416	2.1
69.07068	7.8
69.32840	1.9
69.33265	3.4
71.04984	2.4
73.02907	2.4
79.05493	11.3
81.03413	1.9
81.07060	38.9
83.04975	1.6
83.08628	5.7
85.02912	4.7
85.06532	2.3
86.09698	4.9
91.03963	1.1
91.05489	5.7
93.07048	20.2
95.04966	2.0
95.08616	9.2
97.02888	2.7
97.06541	5.5
97.10172	0.9
98.20770	1.3
98.97594	0.6
99.04476	0.9
99.08060	1.5
105.07024	2.6
107.08597	12.0
109.02917	0.9
109.06528	1.7
109.10145	2.1
111.08089	3.5
115.03918	0.8
116.98607	0.7
117.07005	3.9
119.08553	1.4
121.06441	0.9
121.10155	9.7
123.11716	1.5
124.99999	1.8
127.03915	1.7
131.08533	3.5
133.10167	3.7
135.08051	1.1
135.11700	3.8
135.89519	0.7
137.13275	3.1
145.04942	0.9
147.11742	1.0
149.13268	14.5
157.10019	0.8
159.11697	7.6
163.05956	0.7
177.12776	5.4
179.14342	1.3
184.05797	1.3
184.07359	13.5
195.13840	5.5
251.16478	0.7
261.09518	0.7
269.17490	100.0
270.17841	1.3
304.05408	1.9
431.22708	2.0
467.17661	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	466.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98317	0.2
56.05042	0.5
58.06613	0.4
60.07885	0.3
60.08167	5.6
70.06577	0.2
70.58158	0.4
70.58510	0.4
71.07376	2.3
74.04030	0.2
77.89835	0.2
79.05496	0.3
81.07050	0.4
86.09709	30.7
93.07059	0.4
95.08589	0.5
98.98459	2.5
101.19745	0.2
104.10750	3.5
114.70547	0.2
119.08569	0.2
120.08123	0.2
123.89542	0.2
125.00011	19.5
135.11719	0.7
145.10121	0.6
150.86237	0.2
163.11189	0.7
184.07349	100.0
185.07558	0.3
227.12750	0.5
258.10971	0.2
283.15427	0.3
448.20728	1.0
466.22058	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	466.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05029	0.5
57.03425	0.2
58.06377	0.2
58.06627	0.4
59.07404	0.2
60.08166	6.7
64.02247	0.1
67.05505	0.2
69.15866	0.1
69.48614	0.4
69.49032	0.7
70.06565	0.2
71.07376	2.9
79.05481	0.3
81.03413	0.2
81.07069	0.3
83.04964	0.2
83.08595	0.1
84.08118	0.1
85.02900	0.2
86.09708	30.3
87.15044	0.2
91.05491	0.3
91.52192	0.1
93.07059	0.4
95.04949	0.2
95.08622	0.2
98.98469	2.4
104.10748	3.1
105.07043	0.2
112.89503	0.1
117.07010	0.2
119.08591	0.2
121.10242	0.2
125.00007	21.2
126.08045	0.1
162.88510	0.1
163.11241	0.2
166.06380	0.2
178.04312	0.1
184.07343	100.0
185.07698	0.4
240.75330	0.1
283.15323	0.3
303.04990	0.2
304.05353	0.5
392.87720	0.1
433.36047	0.1
448.20984	1.1
466.22064	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	466.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
56.05029	0.7
58.06625	0.3
60.08165	6.2
61.02921	0.2
67.05508	1.1
69.03423	0.3
69.31961	0.2
69.81649	1.1
70.06583	0.7
71.07363	2.5
72.08142	0.5
79.05494	0.9
80.34191	0.2
81.03412	0.4
81.07052	0.8
85.02908	1.0
86.09711	30.7
87.10020	0.3
91.05493	1.2
93.07049	1.2
95.04980	0.4
95.08626	1.4
95.33862	0.2
97.02885	0.5
97.99156	0.2
98.97554	0.3
98.97823	0.2
98.98466	2.7
101.06039	0.3
103.05460	0.4
104.10748	3.5
105.07040	4.7
106.36142	0.2
107.08589	0.9
119.08589	0.3
120.08137	1.0
121.06511	0.4
121.08445	0.3
121.10204	0.4
123.08100	0.5
125.00013	19.7
127.03928	0.5
133.05476	0.4
133.06502	6.5
134.38434	0.2
135.11694	0.7
136.07599	0.3
145.10092	0.4
151.07541	1.2
163.11232	0.7
172.03831	0.2
184.07350	100.0
185.07613	0.4
204.06583	0.4
204.32111	0.2
255.77243	0.2
262.16458	0.4
268.42920	0.2
295.11743	0.4
301.67905	0.2
303.04938	1.6
304.05365	3.5
327.07462	0.3
448.21146	0.8
466.22018	11.0
467.15167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68683	2.2
53.16690	2.3
55.01874	5.2
55.05511	15.6
56.96563	6.2
57.03424	4.2
57.83681	2.3
61.02911	2.2
64.72574	2.8
67.05504	24.9
69.03423	2.9
69.07069	18.9
71.04993	4.0
71.08643	15.5
79.05498	16.7
81.03412	4.7
81.07065	17.4
83.04967	8.1
83.08614	11.1
86.17239	2.2
91.05487	12.8
93.07053	14.3
95.04957	8.3
95.08596	9.7
97.02881	3.8
97.06528	3.9
97.10198	6.4
98.98463	19.5
99.08094	11.6
104.10744	2.5
105.07036	10.6
107.04941	2.8
107.08579	11.0
109.06475	2.8
109.10132	7.6
117.07040	3.6
119.08582	5.7
121.06560	3.0
121.10130	5.7
125.09618	8.0
127.31674	2.5
129.07043	3.5
131.00102	3.5
131.08551	3.4
133.10162	5.9
135.11708	3.3
145.10124	3.2
147.11688	3.6
151.11209	2.9
157.10216	2.9
159.11621	3.1
173.02303	2.7
173.11734	4.3
177.12740	2.6
189.11237	4.1
193.05045	3.1
220.72624	2.3
224.08086	4.8
227.12894	4.2
229.07535	4.4
267.15994	2.9
275.20013	10.7
293.21133	100.0
303.05002	15.5
306.58258	3.3
349.16742	3.1
349.23605	5.2
367.24777	67.1
429.20190	5.8
447.21133	5.4
465.27795	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	465.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22353	1.9
53.03935	7.2
55.01858	7.1
55.05503	9.1
56.96554	4.1
57.03423	9.1
57.99625	2.0
61.02908	6.4
67.05511	14.0
68.99783	3.5
69.03431	49.3
69.07056	7.6
70.06572	2.8
71.05000	11.5
73.02901	6.1
79.05501	17.0
79.65537	2.0
81.03416	40.3
81.06651	2.3
81.07067	21.3
83.04965	5.4
85.02910	61.8
86.09695	3.9
87.00817	19.5
91.03953	3.2
91.05468	15.4
91.61611	2.2
93.07048	20.3
95.04954	8.8
95.08621	13.9
97.02897	20.8
97.06538	14.6
98.97577	2.8
99.04469	14.6
102.37952	1.9
103.05408	2.5
105.01874	12.1
105.07035	39.4
107.04926	1.9
107.08581	15.2
109.02878	29.9
109.06493	2.7
109.10126	4.2
111.04433	8.2
111.08058	2.4
115.03923	4.5
115.05486	2.4
117.01827	2.3
117.07022	10.0
119.08591	20.2
120.08111	3.2
121.06487	3.4
121.10132	5.6
123.08051	3.3
127.03920	54.3
128.06190	9.1
129.01855	2.9
129.05460	2.5
129.07028	10.2
130.07835	2.3
131.08568	35.9
133.10161	9.8
135.04446	2.4
135.08023	2.3
135.11658	2.7
137.05934	2.0
139.03993	2.2
141.06985	4.0
142.07813	15.1
143.08563	44.6
144.09236	2.9
145.02850	4.3
145.04984	12.6
145.10133	47.4
147.02904	2.4
147.11682	3.7
149.09575	2.3
153.01825	8.0
155.08546	17.6
156.09329	9.5
157.10143	53.2
159.02933	10.6
159.04233	2.7
159.08044	4.6
159.11702	41.7
161.09615	5.2
161.13341	2.7
163.03894	12.3
167.08566	3.4
168.09319	2.8
169.10173	15.8
171.11699	23.2
173.02353	5.1
173.13226	7.9
177.05501	3.6
179.08543	2.7
181.10144	3.6
181.90533	2.0
182.10909	3.6
183.11632	7.2
184.12428	2.3
185.13271	11.0
187.14812	6.6
189.16386	4.0
191.03387	2.8
193.10159	3.6
195.11627	3.6
197.13249	23.7
199.14833	100.0
201.03903	3.2
201.12646	3.4
201.16391	86.4
205.10133	2.1
207.11687	3.0
209.13397	4.6
211.14799	7.6
213.16422	3.0
215.07022	11.0
215.14333	8.8
217.15904	34.1
219.11673	2.3
221.13412	3.7
225.12775	2.6
227.14330	4.7
229.15858	5.3
231.05028	14.6
233.13327	3.0
235.14751	2.5
241.08521	7.8
241.15787	2.3
245.15491	3.0
247.14841	2.5
259.09579	8.2
273.10989	2.5
303.05057	47.0
303.08636	6.9
307.16913	7.5
325.18173	10.3
330.18518	2.0
343.19016	6.0
379.20941	3.3
407.13190	3.4
411.17657	2.2
429.19055	6.3
433.14706	5.1
447.20151	10.0
464.83029	2.9
465.21957	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03949	0.1
55.01873	0.2
55.05506	0.1
56.05044	0.1
57.03438	0.1
61.02922	0.1
65.03933	0.2
67.01871	0.1
67.05500	0.2
68.99446	0.1
68.99790	0.7
69.03424	0.2
70.06613	0.3
70.47706	0.1
70.48032	0.1
71.04987	0.1
72.08143	0.2
74.06073	0.1
74.09688	0.1
81.03425	0.4
81.07062	0.1
83.04992	0.1
84.08156	0.1
85.02911	0.3
86.09695	0.2
91.05468	0.2
93.03389	0.4
93.07043	0.1
95.04974	0.3
95.08610	0.1
97.02886	0.1
98.97629	0.1
105.07051	0.1
107.04966	0.1
107.08634	0.1
107.95383	0.1
109.02885	0.5
111.00811	1.1
111.04426	0.1
115.03940	0.1
116.07073	0.1
117.06984	0.1
119.08604	0.1
120.08102	0.1
121.02876	1.1
123.04437	0.3
127.03935	0.3
129.07005	0.1
131.04962	0.2
131.08626	0.1
133.06429	0.1
135.04425	0.2
137.02348	3.5
137.03410	0.2
137.05942	0.1
143.08459	0.1
145.02861	0.1
145.04839	0.1
145.06427	0.3
147.04420	0.1
149.02342	0.5
149.09511	0.1
151.03931	0.1
153.01840	4.5
155.04915	0.2
155.16034	0.1
157.06485	0.1
159.04451	0.1
161.06003	0.3
163.03925	0.7
165.01846	2.3
166.02650	0.3
171.03014	0.1
173.02373	0.1
173.05966	0.5
177.01790	0.1
177.05516	0.2
179.03407	0.1
182.41550	0.1
183.02898	0.9
183.04436	0.4
185.05875	0.1
187.03983	0.4
191.03424	0.2
191.07005	0.1
195.02914	0.3
201.05493	2.1
205.04988	0.3
207.02933	0.1
211.03989	0.2
213.05511	0.1
215.03436	0.2
219.02951	0.2
219.06635	0.3
228.04204	0.2
229.04971	5.1
233.04533	0.1
239.03438	0.2
247.06046	0.8
257.04456	3.4
258.04892	0.1
274.04749	1.0
275.05588	0.3
285.03961	1.3
285.12521	0.1
286.04776	0.1
303.05002	100.0
304.05341	0.9
465.10214	1.2
465.19562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01867	0.7
57.03424	0.5
59.12312	0.3
61.02933	1.8
68.53917	0.3
68.99776	0.6
69.03136	0.3
69.03431	2.7
71.05003	0.5
73.02922	0.7
81.03423	1.6
85.02905	8.8
87.04463	0.3
91.03943	0.9
93.03425	0.6
97.02907	3.4
99.04453	0.5
109.02883	1.1
111.00825	1.3
116.01350	0.3
121.02898	0.7
127.03888	1.8
137.02354	2.8
137.03340	0.4
145.05011	1.6
149.02350	0.3
153.01845	3.8
159.66982	0.3
163.03951	0.6
165.01839	2.1
166.02562	0.4
175.13077	0.2
183.02843	0.7
183.04338	0.5
191.03348	0.3
191.07173	0.3
201.05510	1.7
205.04861	0.4
229.04967	5.0
239.03395	0.3
247.05968	0.7
257.04391	3.1
258.17508	0.3
274.04636	0.7
275.05511	0.3
285.04022	1.2
303.04996	100.0
304.05246	1.1
383.37875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03931	0.3
55.01867	0.3
55.05505	0.3
56.05021	0.2
56.96554	0.1
57.03434	0.4
60.72038	0.2
61.02918	0.6
61.49900	0.1
65.03928	0.2
66.43382	0.1
67.05491	0.4
68.99785	0.6
69.03432	1.0
69.88729	0.5
70.06592	0.4
71.04991	0.2
72.08155	0.3
73.02906	0.3
79.05489	0.3
81.03418	1.9
81.07051	0.3
83.08636	0.3
84.08156	0.3
85.02906	3.4
86.03226	0.4
86.09694	0.5
87.04449	0.2
91.03937	0.4
91.05462	0.5
93.03409	0.5
93.07027	0.4
93.13368	0.1
95.04961	0.8
95.08601	0.2
97.02890	1.2
97.06509	0.2
98.20886	0.2
98.97573	0.3
99.04455	0.2
105.07053	0.5
107.04959	0.3
107.08585	0.3
109.02874	0.9
111.00823	1.0
115.44188	0.1
116.13848	0.2
117.03399	0.2
119.08588	0.2
120.08082	0.4
121.02867	1.0
121.06523	0.2
121.10153	0.2
123.04424	0.3
127.03928	1.1
128.04242	0.2
131.08569	0.3
133.06404	0.2
133.10146	0.2
135.04431	0.3
137.02350	3.6
137.03406	0.3
145.02872	0.2
145.04941	1.0
145.06471	0.1
146.05360	0.3
147.11696	0.2
149.02361	0.5
149.09656	0.3
151.82774	0.1
153.00574	0.2
153.01836	4.6
153.66449	0.1
155.04930	0.3
161.06018	0.3
163.03937	0.9
163.06027	0.4
165.01839	2.2
166.02628	0.3
172.08757	0.3
173.05984	0.3
175.11110	0.1
177.05493	0.4
183.02885	0.8
183.04321	0.2
184.07277	0.2
187.03922	0.5
191.03354	0.2
193.12263	1.0
195.02885	0.2
201.05472	2.0
202.61163	0.1
205.05011	0.2
211.03894	0.2
213.05412	0.3
215.03424	0.2
219.06583	0.4
224.50470	0.1
228.04164	0.3
229.04977	4.9
239.03481	0.3
243.03043	0.1
243.08766	2.2
244.09590	1.4
247.05931	0.7
257.04474	3.4
267.15924	0.7
267.19547	0.2
274.04642	0.9
275.05460	0.3
285.03961	1.6
285.16943	0.5
303.04993	100.0
304.05304	0.8
378.15390	1.3
379.16187	0.6
423.56299	0.2
465.10349	3.5
465.16254	0.4
465.21570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03434	0.5
61.02931	6.5
68.99792	0.8
69.03437	1.4
69.39368	1.1
69.39791	0.8
73.02925	1.8
81.03415	0.6
85.02906	5.5
86.45013	0.2
91.03962	3.7
93.03432	0.3
95.04979	0.4
97.02905	2.7
98.20750	0.3
109.02882	0.5
111.00800	1.1
115.03986	0.3
121.02882	0.9
123.04418	0.4
123.93195	0.2
127.03918	0.9
135.04399	0.4
137.02364	3.0
137.03346	0.4
142.44217	0.2
145.04984	0.6
149.02393	0.3
153.01839	4.9
155.04951	0.2
163.03870	0.6
165.01865	1.7
173.06062	0.5
182.19135	0.2
183.02910	0.7
183.04395	0.2
187.03876	0.4
201.05458	2.0
205.05003	0.3
214.87184	0.3
219.06435	0.4
224.30443	0.2
229.04962	4.3
247.06038	0.6
257.04486	3.3
274.04745	0.6
275.05356	0.3
285.03998	1.7
303.05005	100.0
304.05414	0.9
341.40936	0.2
465.17422	0.2
482.16849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01868	0.2
57.03438	0.7
57.03667	0.1
61.02930	6.5
65.03934	0.2
67.01879	0.2
68.99801	0.6
69.03430	1.1
69.27390	1.0
70.06599	0.1
71.04988	0.1
72.08150	0.4
73.02919	1.7
79.05471	0.1
81.03429	0.6
81.07066	0.1
85.02909	5.5
86.09727	0.6
87.04473	0.1
91.03958	3.7
91.05464	0.2
93.03413	0.4
93.07071	0.1
95.04946	0.3
97.02299	0.2
97.02898	3.1
99.04446	0.4
101.02367	0.2
109.02875	0.7
109.10213	0.1
110.03705	0.1
111.00808	1.0
115.03922	0.3
120.08118	0.8
121.02844	0.9
123.04442	0.3
127.03950	0.9
135.04420	0.2
137.02347	3.6
137.03366	0.2
145.04922	0.8
145.06517	0.3
149.02357	0.4
153.01834	4.7
155.04892	0.3
159.04413	0.1
161.05971	0.4
163.03880	0.7
165.00537	0.2
165.01843	2.4
166.02635	0.3
173.06015	0.6
179.03358	0.2
183.02910	1.0
183.04341	0.2
187.03850	0.4
190.44844	0.1
191.03482	0.2
195.02939	0.3
201.05473	1.9
205.04959	0.1
205.35280	0.1
212.95226	0.1
213.05551	0.2
215.03442	0.1
219.06540	0.3
228.04114	0.2
229.04971	4.8
233.16640	0.2
245.04544	0.1
247.05977	0.8
257.04468	2.9
261.16040	0.2
270.89139	0.1
274.04724	0.9
275.05438	0.2
285.03986	1.4
299.05646	0.1
303.04996	100.0
304.05334	1.0
315.04962	0.6
327.05093	0.2
345.05890	0.7
369.06100	0.6
447.09271	0.2
465.10321	0.2
465.17386	0.2
467.33893	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	464.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01882	2.8
55.05518	6.3
56.96574	3.1
57.03447	5.5
57.74534	2.2
60.54506	2.0
60.99366	2.3
61.02930	6.4
67.05504	13.3
69.03426	4.0
69.07075	4.6
71.53471	3.0
73.02931	2.3
79.05506	14.1
81.03429	100.0
81.07062	14.7
83.04993	6.4
83.08628	22.0
85.02908	10.3
91.03976	4.9
91.05479	19.7
93.07063	13.1
95.04987	27.6
95.08611	8.1
97.02899	9.6
97.06538	6.3
97.10149	2.7
98.23251	2.4
98.97571	3.5
99.08102	2.8
105.07043	11.1
107.04959	8.5
107.08617	7.6
109.06565	3.7
109.10157	5.3
111.08100	12.2
119.08578	10.0
121.06516	3.8
121.10162	8.4
129.07024	6.9
131.08583	6.2
133.06496	3.9
133.10155	5.3
145.10173	4.1
147.08025	3.5
147.11714	10.0
149.09657	6.9
157.10149	11.8
175.11209	16.1
181.10153	10.1
184.07262	2.9
193.04985	3.4
193.12265	98.0
211.13351	9.3
235.13254	3.3
267.15952	73.6
285.16986	73.5
309.17038	14.1
393.19257	3.1
429.11502	2.6
429.21170	6.5
445.96167	2.9
464.17511	4.1
464.27524	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	464.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05030	0.5
57.03428	0.2
58.06364	0.2
58.06613	0.2
59.07382	0.1
60.08168	5.9
67.05503	0.6
68.74950	0.1
68.80021	0.1
70.06575	0.1
70.71027	0.3
71.07375	2.5
79.05492	0.5
81.03423	0.4
81.07053	0.4
84.31707	0.1
86.09711	29.5
91.05488	0.5
93.07079	0.3
94.54102	0.1
95.04993	0.1
95.08610	0.3
98.98470	2.4
101.89668	0.1
104.10747	3.2
105.07050	0.3
107.08583	0.2
119.08630	0.2
119.67754	0.1
121.17065	0.1
125.00013	20.0
129.07030	0.1
133.10156	0.2
143.01071	0.2
155.73909	0.1
155.75096	0.1
184.07350	100.0
187.30911	0.1
202.62862	0.1
233.81851	0.1
258.11090	0.2
371.38840	0.1
393.54269	0.1
397.66064	0.1
446.22961	1.5
464.24124	5.9
465.24283	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	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60314	0.5
51.42055	0.5
53.03938	1.7
55.01880	3.6
55.05512	1.2
57.03436	5.7
58.94902	0.5
59.35625	0.5
61.02919	9.3
67.05498	1.5
69.03432	17.9
69.07085	0.7
70.06601	2.7
71.01339	1.0
71.04989	2.1
71.53758	1.1
71.54153	0.6
72.08156	0.9
73.02917	8.4
73.86433	0.6
79.05473	1.0
80.04977	0.6
81.03417	7.2
81.07039	1.3
83.04983	0.9
84.04507	0.8
84.08128	1.5
85.02905	100.0
86.09724	1.6
87.04466	2.4
91.03958	4.9
91.05492	1.6
92.07150	0.5
93.07076	1.1
95.04969	2.0
95.08638	1.0
96.04480	0.7
97.02892	28.2
97.03528	1.4
97.06480	0.6
98.97551	0.8
99.04444	4.9
101.02387	0.6
102.05527	0.5
103.03936	1.1
105.07031	6.1
107.04948	0.7
107.08617	0.9
109.02882	9.3
109.06509	0.7
115.03925	3.1
117.03315	0.7
119.08582	1.7
120.08114	1.5
121.02879	3.8
127.03921	27.8
131.08528	0.6
133.04973	4.5
133.10104	1.3
135.08107	0.8
137.06119	0.6
143.08617	0.6
145.03006	1.9
145.04959	57.1
147.08028	1.2
147.11757	0.8
149.09610	0.8
151.11197	0.8
153.01863	0.6
153.05457	6.0
157.10071	0.6
161.06039	0.8
163.06021	25.4
165.05495	0.8
171.08083	0.6
177.05521	2.2
189.09338	0.6
193.12288	1.1
201.09102	0.7
209.11696	0.6
210.14946	1.3
218.08223	0.9
221.11298	0.6
231.10197	1.4
243.08746	2.8
244.09740	1.0
246.07648	0.8
249.11208	0.9
257.04538	0.8
259.08243	1.0
267.15887	2.1
268.20401	0.6
268.87988	0.6
284.15814	0.9
284.18732	1.9
285.13422	4.3
285.16422	0.9
302.19659	4.2
303.04956	14.6
325.11331	2.1
378.15424	1.2
420.13242	0.8
459.33093	0.6
464.24908	1.8
465.10773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10371	1.7
53.03937	2.7
55.01880	10.8
55.05500	4.9
55.73407	1.6
57.03443	22.4
57.55980	1.6
59.04989	4.2
61.02930	24.5
61.97364	1.7
65.03929	2.9
67.05492	6.7
69.03090	3.1
69.03435	40.3
69.41184	12.1
70.06583	7.0
71.01342	5.6
71.04984	5.4
73.02924	87.7
79.05492	4.0
81.03410	12.6
81.07050	7.0
83.04961	4.1
84.04524	2.9
84.08128	4.7
85.02911	100.0
85.06521	2.6
86.09717	9.1
87.04465	5.5
89.03909	4.3
91.03955	4.8
91.05463	7.9
93.07043	4.5
95.04958	5.5
95.08610	2.9
97.02899	76.7
97.06522	2.5
97.10163	2.0
98.06096	2.2
98.20732	3.0
98.97597	8.0
99.04443	5.7
103.03935	4.4
104.60961	1.7
105.07023	3.6
107.08589	3.9
109.02859	8.6
109.06512	2.3
109.10161	5.2
110.97614	2.2
115.03181	2.3
115.03942	35.0
116.98677	2.0
117.03356	7.7
117.07065	1.5
120.08092	7.5
120.08846	1.8
121.02882	44.6
121.10136	5.7
124.78815	1.8
127.03923	33.8
129.06996	1.8
129.10220	2.3
131.00186	1.9
131.04910	3.7
131.08548	2.6
133.04974	56.9
133.06494	2.6
136.07489	2.1
143.00151	2.4
145.02875	13.5
145.04965	47.8
145.10201	2.1
149.06000	2.8
151.07634	1.7
153.05481	91.7
161.01245	2.4
163.06032	20.3
173.11713	2.3
173.13164	2.1
177.05489	28.2
178.06044	2.0
193.12263	4.9
199.06027	2.6
204.09799	2.5
223.06079	6.3
231.13763	2.1
241.07076	7.7
259.08163	6.9
267.15942	2.0
284.15704	2.4
291.03864	3.6
302.19702	3.7
303.05045	20.6
406.16248	2.3
416.71350	2.0
420.12991	2.2
445.17328	3.5
464.21994	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05268	1.3
55.05511	12.7
57.07081	30.1
67.05497	5.8
69.07072	22.4
69.62106	1.1
71.04987	1.6
71.08633	21.5
71.46645	1.7
74.04619	1.1
79.05496	5.0
80.26186	1.2
81.07061	16.7
83.08620	11.3
85.10183	12.2
91.05475	3.6
93.07050	5.1
95.08613	15.1
97.06535	2.7
97.10162	7.7
99.04453	3.8
99.11707	1.1
101.88639	1.1
105.07008	5.7
107.04881	1.6
107.08591	4.0
109.06517	11.9
109.10172	5.3
111.08079	1.8
111.11719	4.8
117.09570	1.0
119.08594	2.1
121.06509	2.5
121.10126	4.4
121.31822	1.2
123.08064	10.5
123.11710	4.4
125.05991	13.6
125.13248	1.2
127.07565	40.1
133.10147	2.8
135.08063	3.1
135.11685	2.0
137.05975	4.5
137.09618	3.9
139.07547	100.0
145.10083	1.6
147.11707	1.8
149.05981	3.0
149.09621	2.5
149.13167	1.7
151.07564	5.9
151.11195	1.2
153.09035	1.6
161.13197	1.4
163.07599	3.1
165.09114	2.2
167.07062	4.5
175.11145	1.8
175.14780	1.4
177.09145	12.4
189.12827	2.0
195.10188	1.3
205.12418	1.2
207.13879	1.3
247.67271	1.0
256.58847	1.1
301.29034	4.2
319.29938	10.8
347.33115	17.2
373.30945	5.3
385.34442	1.3
389.33368	1.1
395.51114	1.1
399.36148	3.0
403.35663	4.6
417.37308	17.6
427.35651	3.3
445.36804	55.6
446.36960	1.4
463.37857	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03941	2.3
55.01876	2.3
55.05281	1.9
55.05508	12.5
57.07080	32.4
67.05497	8.3
69.07072	26.8
71.08633	25.6
75.31726	1.4
79.05494	6.4
81.07059	18.0
83.08630	18.5
85.10188	14.4
91.05468	4.3
93.07047	6.5
95.08611	18.8
97.02914	3.0
97.06538	4.5
97.10168	12.5
99.04452	5.4
105.07042	7.4
107.08601	3.7
109.06522	10.6
109.09501	2.0
109.10139	8.6
111.08089	3.9
111.11720	4.7
119.08636	3.8
121.10169	4.9
123.08074	12.2
123.11732	4.9
125.05998	17.9
125.09659	2.2
127.07562	42.3
133.10133	4.2
135.08093	3.8
135.11710	3.0
137.06012	6.8
137.09631	3.5
139.07542	100.0
145.10147	2.0
147.08313	1.6
147.11664	3.3
149.06013	4.1
149.09555	2.1
151.07561	7.7
158.28534	1.7
161.09581	1.8
163.07492	3.1
165.09157	2.2
167.07071	4.7
175.11163	4.1
177.09102	14.5
179.10730	1.9
193.12309	2.1
195.10178	1.8
207.13797	2.3
229.03117	1.9
249.18394	2.2
260.94952	1.6
263.25955	2.1
301.28745	4.1
319.29990	13.9
333.27884	1.9
347.33157	13.3
373.31042	5.1
385.34503	2.9
399.36322	4.6
403.35751	4.1
417.37207	20.1
427.35703	5.2
445.36801	78.3
446.37512	1.9
463.37872	79.0
463.44522	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	463.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35862	2.1
50.63530	2.0
53.03945	4.5
55.01870	3.8
55.05510	17.9
56.96562	2.8
57.03433	10.2
57.07076	4.1
59.27451	2.1
59.50012	2.0
67.05179	3.6
67.05508	48.5
69.07075	20.2
70.57427	6.9
71.04973	4.0
71.08627	33.7
79.05489	40.2
81.03403	8.7
81.06596	3.4
81.07063	58.1
83.04993	11.7
83.08627	10.8
85.02924	3.3
85.06520	3.9
91.05486	30.9
93.07048	55.0
95.04970	12.7
95.08611	35.3
97.02850	3.1
97.06548	10.8
97.10165	6.5
98.20866	5.2
98.98450	14.5
99.08094	19.3
105.07027	20.6
105.99339	2.4
107.04949	7.0
107.08589	27.8
109.06501	4.4
109.10139	16.4
111.08097	2.9
113.00013	21.6
114.20810	2.4
117.07025	7.6
119.08597	15.3
121.10140	17.9
123.08111	3.6
123.11706	2.2
127.11212	3.5
129.95091	2.9
131.08565	6.9
133.10097	11.8
135.11691	23.0
137.09703	2.7
141.09114	4.2
145.10109	4.0
147.11700	5.3
149.13281	15.2
151.11191	18.5
155.01041	10.0
159.11702	4.2
159.63455	2.3
161.13264	10.4
163.11214	5.1
167.10718	3.9
169.02629	6.9
175.14699	2.5
177.12759	3.8
179.14316	58.5
214.93054	2.6
227.12874	3.1
235.20633	5.4
241.19687	2.4
243.08786	2.8
259.20593	6.2
261.49286	2.5
277.21619	44.7
285.10068	4.3
295.70187	2.3
309.24274	17.6
350.70398	2.8
351.25284	100.0
351.29642	5.0
423.94482	2.5
437.43698	2.4
463.30182	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	463.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.9
55.01860	10.8
55.05511	13.0
56.96556	6.2
57.03425	9.9
57.07076	5.3
59.04984	4.4
61.02932	13.2
67.05512	22.9
68.99784	4.2
69.03434	38.2
69.07079	26.7
70.48050	3.0
70.48381	4.6
71.04984	11.1
72.08157	2.9
73.02927	12.9
79.05489	14.3
81.02997	3.3
81.03426	44.5
81.07053	22.9
83.04985	6.1
83.08616	10.0
84.04516	3.1
84.08140	3.8
84.40614	2.2
85.02907	100.0
85.06544	3.2
86.09713	20.7
87.00832	35.1
87.04448	2.6
91.03957	5.5
91.05465	12.6
93.07066	11.6
95.04987	7.7
95.08601	8.8
97.02891	40.0
97.06528	16.6
97.10154	8.3
98.20813	2.2
98.97592	7.7
99.04454	15.9
105.01873	29.7
105.07027	10.6
107.04900	4.2
107.08573	10.3
109.02882	33.9
109.06509	4.7
109.10162	28.9
111.07986	2.4
111.11738	12.8
115.03905	2.8
117.01824	5.5
117.06992	5.8
119.08559	7.3
120.08079	6.5
121.06462	3.2
121.10168	13.4
123.08096	2.3
123.11724	5.5
124.67867	2.3
125.00039	3.1
127.03925	74.9
127.11201	29.6
129.01862	4.0
129.12772	3.8
131.08546	6.2
133.06488	2.8
133.10130	8.0
135.04376	5.0
135.08066	3.5
135.11685	5.3
137.06004	2.8
145.04971	34.3
145.10165	6.0
147.02870	4.6
147.11714	5.0
149.13292	4.0
151.07568	4.6
159.02901	23.2
159.11617	2.9
163.03851	5.7
165.09123	4.5
184.07375	21.8
213.04013	2.9
215.07037	4.5
215.16402	30.0
219.13741	3.5
231.05078	15.1
231.10722	3.3
237.02785	2.9
259.09723	5.3
260.10040	2.4
267.09067	12.4
269.72748	2.4
273.18304	2.9
285.10068	12.8
313.03110	2.6
324.11349	6.8
409.25565	2.7
429.17749	4.6
431.20569	3.7
454.19571	4.2
463.13809	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	463.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.01868	3.6
55.05511	8.7
57.03437	7.9
61.02699	0.8
61.02929	8.4
67.05513	11.2
69.03438	6.3
69.07095	4.5
70.06589	2.1
71.04983	2.6
71.52801	0.9
71.53186	1.4
72.08151	1.1
73.02931	6.5
77.03904	1.0
79.05506	14.7
81.03427	11.6
81.07065	13.0
82.04229	1.7
83.04991	5.0
83.08633	6.4
85.02912	10.8
85.06543	1.5
86.09704	2.6
91.03947	3.4
91.05482	9.6
93.07049	19.9
95.04966	6.6
95.08064	1.6
95.08614	20.5
97.02908	10.6
97.06551	6.3
97.10181	2.8
98.07312	1.6
98.97583	1.5
99.04465	4.3
101.02398	1.7
101.05991	1.2
105.07056	6.3
107.04968	7.1
107.08594	15.6
109.02879	2.1
109.06506	2.6
109.10133	3.5
111.04450	1.5
111.08069	1.1
113.06039	1.3
115.03899	1.0
116.04701	2.8
117.07038	5.7
119.08589	8.0
120.08101	1.7
121.06484	4.3
121.10141	10.2
123.08044	2.6
123.11783	1.0
125.06041	4.3
125.09625	2.5
127.03915	4.3
129.05498	7.8
129.06975	1.7
130.07889	1.2
131.08603	2.4
133.10115	4.5
135.08076	2.1
135.11703	29.5
139.07501	1.2
143.07022	2.5
145.04962	1.4
145.10132	16.8
147.11623	1.6
151.11118	1.5
157.08676	5.0
157.09894	1.5
159.11594	0.9
163.03969	1.4
163.11195	41.7
173.09668	1.2
175.11157	1.4
179.10681	1.0
181.12260	8.3
183.06441	1.4
189.11214	1.8
189.15871	1.2
193.12250	1.6
198.14954	1.0
201.07510	1.0
209.11679	1.7
210.12527	1.3
215.06908	1.5
227.12798	61.9
283.15414	100.0
284.15964	1.6
287.05551	1.4
301.16516	7.5
361.02206	2.5
445.20462	2.8
460.83514	1.1
463.25891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01868	9.9
55.05512	18.7
56.29253	2.7
57.03439	7.1
61.02910	6.8
61.82622	2.7
67.05510	29.4
69.03421	14.1
69.07066	28.5
70.06591	3.9
70.87878	7.0
71.04992	14.5
79.05490	28.8
81.03426	10.6
81.07058	77.4
83.04990	30.9
83.08635	7.6
84.04489	7.3
85.02901	11.6
85.06541	8.9
86.09699	16.8
91.05474	24.3
93.03407	5.6
93.07043	66.7
95.04967	34.4
95.08605	41.6
97.02885	10.8
97.06535	39.0
99.04456	18.6
101.06042	4.0
103.05493	3.3
105.07030	48.6
107.04965	7.0
107.08587	36.4
109.02883	3.2
109.06525	29.2
109.10141	10.1
109.24193	3.0
111.04453	21.4
111.08083	55.8
113.06014	5.5
117.07063	5.9
119.04942	3.1
119.08585	28.2
121.06506	78.9
121.10159	11.3
123.08083	6.2
123.11707	28.7
123.82851	3.2
125.06010	20.5
125.09663	3.7
127.03973	3.2
127.07540	10.4
129.05498	21.3
129.07025	3.4
130.06528	9.3
131.08568	6.3
132.04471	4.5
133.06500	4.8
133.10120	35.7
135.04460	5.6
135.08076	16.4
135.11679	13.1
137.05983	3.8
139.07533	27.4
141.05475	4.3
142.07770	5.1
143.07036	13.4
143.08557	8.0
145.10095	14.5
147.08049	5.5
147.11693	63.8
149.13298	5.4
151.11159	22.8
155.08510	3.6
157.04945	4.3
157.07518	5.6
157.08632	13.5
157.10132	18.8
158.06041	4.8
159.06517	8.9
161.13264	13.3
163.11157	7.1
163.14893	4.3
165.12747	34.2
169.12241	75.0
171.06541	8.2
171.11589	14.4
173.09619	4.0
175.08813	4.0
175.11205	43.1
181.10014	3.4
181.12294	6.0
189.12758	27.4
193.12253	50.5
199.11224	24.5
207.13829	13.1
211.13289	100.0
217.07092	72.6
217.12210	78.1
227.12833	20.2
229.14342	59.2
235.13301	97.8
245.14027	3.7
253.14378	91.6
271.15479	15.3
283.15451	21.5
286.11676	4.2
287.05618	3.8
301.16354	6.3
314.11349	9.8
367.17636	4.3
409.18549	28.1
427.19659	34.6
445.20871	17.2
463.21078	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	463.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01874	10.3
55.05515	46.9
56.96567	5.3
57.03441	26.8
57.07079	3.8
59.05008	5.2
61.02924	5.6
63.37459	2.0
65.03935	3.9
65.16288	2.2
67.05509	100.0
69.03428	23.8
69.07066	19.5
71.01348	4.6
71.04997	11.8
71.54766	3.3
71.55167	2.1
73.02921	4.8
78.98243	2.2
79.05500	30.1
81.03425	43.9
81.07057	38.2
83.04993	22.0
83.08632	20.4
85.02909	34.2
85.06551	4.0
87.04470	7.1
91.03956	4.5
91.05484	21.0
93.07054	25.5
94.78162	2.1
95.04981	11.1
95.08604	20.5
97.02890	34.7
97.06535	8.1
97.10187	26.4
98.03204	1.9
99.04456	5.8
99.08106	4.0
101.02376	2.5
103.03947	6.6
105.07034	11.3
107.04952	10.7
107.08595	26.6
109.02876	7.9
109.06529	5.3
109.10163	75.3
111.04474	10.4
111.08035	5.1
115.86777	2.2
117.07036	8.3
119.08610	14.0
121.06523	3.3
121.10161	11.5
123.08073	4.1
125.09631	32.4
127.03928	15.1
129.05507	8.0
129.07016	3.1
131.08591	7.1
133.10130	5.1
135.08066	4.8
135.11714	15.6
137.09654	5.7
143.08649	2.5
143.10704	3.2
145.04915	3.4
145.10161	15.1
149.01270	3.3
149.09633	4.4
153.12759	9.1
155.10677	5.6
157.02245	2.2
163.11168	17.1
173.04463	13.5
173.09615	3.1
173.10117	2.6
173.11732	25.9
181.12239	6.9
183.06508	3.3
191.10704	7.3
199.13377	6.3
209.11732	20.6
217.14345	2.7
224.08064	14.2
227.12781	14.8
229.14365	66.9
245.04706	6.0
245.10648	4.7
245.13840	4.8
247.18372	2.3
257.13831	2.7
257.22986	2.6
283.15402	35.5
291.19736	2.7
293.39459	2.3
301.16479	12.2
347.15741	2.7
445.20743	15.0
463.21933	27.0
463.27634	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	463.1236
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
51.03082	0.4
55.05508	0.5
57.03444	3.5
58.11509	0.3
61.02928	0.5
67.05492	0.7
68.74121	0.3
68.99776	0.4
69.03432	0.7
69.07050	0.3
69.27290	0.3
70.71455	1.2
71.04996	29.5
73.02926	0.6
75.04481	0.9
81.38793	0.4
83.04966	0.8
84.08139	1.3
85.02908	29.7
86.09692	1.2
87.04460	0.6
92.02625	0.6
93.03387	0.7
93.07070	0.5
95.08646	0.4
105.07015	0.6
107.04951	0.5
111.04447	0.5
120.08128	2.4
121.02876	0.9
127.03951	0.6
129.05478	6.2
139.03918	1.1
144.10271	0.5
147.06537	1.5
151.03909	0.5
153.01840	6.2
165.01768	0.5
175.79483	0.4
191.46426	0.4
217.04939	0.6
218.05713	0.4
228.04211	1.1
229.04929	3.1
231.04996	0.4
245.04495	1.1
246.05319	2.0
256.03918	0.5
257.04553	2.3
260.03174	0.6
273.03903	1.5
274.04797	3.8
285.03961	3.7
298.41107	0.4
302.04227	10.3
317.06570	100.0
318.06857	1.1
463.29138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24981	0.3
66.01989	0.3
69.03415	1.0
69.10025	0.4
69.45737	1.4
69.46162	1.2
72.08149	0.9
74.06049	0.4
75.06402	0.3
77.08419	0.4
85.02908	1.9
86.09697	0.8
97.02885	1.5
98.20818	0.8
98.97565	0.5
101.00888	1.2
109.02870	0.6
115.02409	1.0
117.00449	0.4
119.01925	2.6
120.06582	0.5
120.58254	0.4
120.95411	0.9
127.03905	0.7
129.04002	0.5
131.01906	1.1
133.03479	2.5
138.96449	1.5
141.03905	0.4
143.01938	2.3
145.03442	1.3
145.04956	0.6
147.05038	0.4
155.01872	1.0
156.97485	9.1
157.03450	0.8
159.05025	1.4
161.02945	2.5
162.96391	0.6
163.03871	0.4
167.01857	0.8
171.05011	0.5
173.03017	2.5
174.98534	6.0
177.06096	0.7
180.97459	14.8
182.99052	1.0
185.02950	3.5
187.04506	1.0
192.00775	0.6
192.97510	0.5
194.99091	0.5
195.07179	0.4
197.02971	1.2
198.98532	100.0
199.98659	1.5
201.00090	0.7
203.03996	1.3
209.00677	2.2
209.02414	0.4
210.98566	4.1
213.00218	2.2
213.02216	0.5
216.99593	23.4
219.07162	1.3
221.04993	0.4
222.00146	2.5
222.98473	1.1
225.00078	1.3
227.01642	2.5
227.03824	0.8
228.99612	7.3
234.98587	4.3
240.99582	19.2
243.01193	0.5
245.05083	6.1
245.08707	1.8
247.00677	0.9
252.99625	2.4
257.02722	14.0
257.04987	0.7
259.00638	10.6
259.03253	0.7
259.06625	0.5
263.06198	0.8
264.99530	0.6
271.00662	1.0
271.04065	0.7
275.03525	0.6
275.06192	0.8
277.01791	1.6
282.02423	0.6
283.00650	9.7
289.07712	0.9
294.93198	0.5
301.01685	29.1
305.07169	0.6
309.08539	0.4
315.05667	0.7
319.02734	6.0
324.03073	0.4
327.09714	0.5
333.06558	1.2
334.06848	0.4
335.08456	0.5
342.04514	0.5
343.02759	1.0
351.07693	1.7
353.02655	0.4
365.09189	0.5
369.40857	0.4
373.04028	0.7
463.06851	10.3
463.12296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.1
55.01875	9.2
55.05516	51.9
56.96573	3.8
57.03436	6.1
57.07063	5.2
59.04993	6.5
59.20680	3.0
67.05505	96.2
69.03423	5.5
69.07056	12.3
70.38313	12.1
71.01357	4.5
73.02895	6.1
79.05503	16.9
81.03407	10.2
81.07057	30.0
83.04990	9.8
83.08624	27.9
85.02919	19.9
87.04462	12.0
91.05457	10.7
93.07052	13.5
95.08588	15.9
97.02895	4.0
97.10179	46.5
105.07027	4.8
107.08598	16.9
109.10165	84.6
111.08045	4.0
119.08567	11.2
120.47125	2.9
121.10134	6.4
125.09631	58.7
137.09630	4.7
143.10658	8.6
145.10135	9.0
153.12701	7.9
155.10699	17.5
157.12231	4.9
163.11180	16.3
173.09615	5.7
173.11749	100.0
181.12184	6.2
187.13274	11.2
191.10748	5.4
209.11688	19.2
220.31310	3.2
227.12816	12.9
231.62634	3.4
283.12244	3.5
325.63565	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02690	0.5
53.03947	1.2
55.01878	1.0
55.05499	0.6
57.03427	1.1
57.18172	0.5
57.66914	0.5
64.03423	0.5
67.05491	1.4
69.03413	1.8
70.06591	1.3
71.54098	0.9
79.05495	7.9
81.03400	1.3
81.07056	5.5
83.04977	2.2
83.08631	0.8
84.04495	2.3
84.08112	0.9
85.02897	3.9
85.06502	0.6
86.09719	3.1
91.05476	3.3
93.07052	4.0
95.04967	1.6
95.08620	1.3
97.02890	1.9
97.06516	3.3
99.04462	1.0
105.01865	0.7
105.07017	2.4
107.04963	3.7
107.08598	2.5
108.92830	0.5
109.02894	1.0
109.06496	0.7
110.07189	0.9
111.08048	0.6
117.03387	1.0
117.07025	1.3
119.04924	0.5
119.08566	3.8
121.06496	7.7
121.10138	0.9
123.04468	0.5
124.91827	0.5
125.05998	26.7
126.05505	2.2
127.03925	1.1
128.06262	0.8
129.06978	1.0
130.05037	0.5
131.08577	2.5
133.02834	1.1
133.10095	0.8
136.07520	0.7
137.05997	2.0
137.09584	0.8
138.05518	1.7
139.07530	1.4
143.08580	1.4
145.02879	3.3
145.04794	0.6
145.10141	1.3
147.07994	0.9
149.05963	3.4
161.09593	0.9
167.07042	100.0
167.99420	1.5
169.08600	1.6
171.11664	1.6
177.05487	9.4
178.91820	0.5
179.10660	1.5
181.47057	0.5
183.11597	0.6
186.07669	1.0
197.11719	2.2
199.11188	0.9
204.08681	0.6
214.14389	0.7
217.12300	3.0
229.12210	1.7
235.13281	11.8
238.50249	0.6
247.13295	2.4
265.14352	15.5
283.15549	1.3
325.10733	1.5
361.02072	0.6
444.25882	0.8
462.18448	1.2
462.24106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
54.05878	2.2
55.05510	13.8
57.07078	6.6
59.05004	2.7
64.13043	2.2
67.05508	27.3
69.07067	38.6
69.38010	10.9
69.38441	7.4
71.04990	13.6
72.08164	7.7
72.65248	2.2
73.58787	2.4
79.05492	20.3
81.07057	100.0
83.08630	14.0
85.06551	3.9
91.05490	15.6
93.07044	38.2
95.08608	69.7
95.09180	4.8
97.10175	4.6
105.07029	32.6
107.08599	52.8
109.06546	2.6
109.10160	66.1
111.08132	4.4
111.11751	2.8
119.08584	36.1
121.10145	36.9
123.11713	32.4
127.11205	14.7
131.08580	8.0
133.10149	25.3
135.11687	31.1
137.13261	13.1
141.12791	2.2
145.10133	9.4
147.11682	37.8
149.13275	23.5
153.12773	10.3
157.10106	2.5
159.11668	14.5
161.13272	17.8
163.14810	11.7
165.12781	4.5
167.14302	2.9
173.13263	8.0
175.14828	11.8
177.16382	17.8
187.14780	4.9
189.16425	10.9
191.17931	7.4
201.16496	2.7
203.17953	9.6
205.19574	2.8
215.17982	12.8
217.19537	10.1
229.19476	4.1
231.21146	3.5
233.19043	9.5
248.61443	2.5
251.20105	8.6
257.22601	3.5
259.24261	3.6
271.24243	2.7
285.25708	4.5
339.30533	2.9
413.37811	6.8
425.37732	14.2
429.31467	2.5
443.38763	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	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.05516	1.3
57.03449	1.0
67.05505	2.3
69.03426	3.8
69.07073	1.3
69.18552	7.9
70.05186	0.8
70.06595	3.1
71.04984	0.9
72.08142	1.0
76.92516	0.8
79.05518	1.1
81.03416	4.6
81.07058	1.4
84.04486	1.5
84.08205	0.9
85.02915	9.5
86.09714	3.9
87.00829	2.9
91.05473	2.8
93.07045	5.3
95.04993	1.6
97.02905	4.0
98.20714	2.0
99.04472	1.4
105.01890	2.2
105.07043	4.6
107.08597	10.8
109.02921	4.5
109.10139	1.3
111.04448	0.9
111.08060	0.9
116.07099	1.2
119.08597	1.4
121.06435	1.2
121.10161	1.2
123.04418	1.0
126.05515	1.6
127.03931	6.8
128.06212	1.1
131.08559	0.8
133.10138	13.2
135.11700	12.7
137.06032	1.8
137.09605	1.0
138.05528	2.8
142.91414	0.9
143.26543	0.9
145.02919	2.2
149.05980	1.0
151.11226	1.5
159.02855	0.8
161.09607	7.5
177.05467	6.1
179.10678	21.8
181.06377	0.8
182.73859	0.8
186.07637	1.1
197.11745	100.0
198.12051	1.3
231.01622	0.9
231.05048	3.7
445.17377	4.1
462.20145	5.9
463.21124	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	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60916	0.6
53.03941	0.9
55.01868	1.1
57.03433	1.1
60.04538	0.7
61.02914	0.6
65.41269	0.6
67.05501	1.5
69.03430	3.9
70.06592	2.6
70.66564	2.2
72.11326	0.6
73.02932	0.8
79.05495	1.3
81.03420	3.6
81.07055	2.0
83.04949	1.0
84.04505	1.4
85.02913	9.3
85.06567	0.8
86.09725	3.3
87.00837	3.8
87.09995	0.9
91.05481	2.5
93.07056	4.9
95.04963	1.3
95.08592	0.9
96.04507	1.0
97.02903	3.5
97.06538	0.7
99.04456	1.8
102.05556	0.7
105.01871	2.2
105.07054	3.1
107.08598	11.4
109.02880	4.9
109.06525	1.1
109.10147	1.5
119.08588	2.4
121.06506	1.6
123.08105	0.7
123.62242	0.7
126.05544	1.0
127.03935	7.3
130.75488	0.7
131.08553	0.9
133.10127	9.9
135.11703	13.4
137.06010	1.5
137.09625	1.3
138.05482	1.7
145.02844	1.5
145.04961	1.9
151.11201	0.9
159.02982	1.0
161.09584	6.6
177.05550	4.9
179.10692	22.3
180.10907	0.7
197.11748	100.0
198.12053	0.6
213.03937	1.0
231.05032	3.1
253.21490	0.7
350.70560	0.6
445.17255	3.8
462.19818	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
53.35736	1.8
55.01869	11.3
55.05509	22.5
56.96568	4.3
57.03440	10.5
57.07076	6.7
59.04998	7.1
60.55663	1.8
61.02928	6.8
67.05497	13.4
68.99799	4.9
69.03432	57.7
69.07070	50.2
70.06586	1.9
71.04996	14.7
73.02947	8.2
79.05500	9.6
81.03422	48.0
81.07061	25.9
83.04994	14.9
83.08627	7.0
84.08141	6.7
85.02909	100.0
85.06543	19.9
86.09718	6.6
87.00835	32.4
87.04488	6.2
89.06051	2.1
91.03966	3.4
91.05483	6.1
93.07037	19.4
95.04949	3.1
95.08611	43.5
97.01134	2.1
97.02896	31.3
97.06525	8.9
97.10181	14.4
98.97607	3.5
99.04450	20.1
99.08095	29.1
101.02377	2.1
103.07576	5.9
104.07925	2.0
105.01865	23.0
105.07034	5.9
107.05006	2.7
107.07056	3.4
107.08606	27.2
109.02893	47.6
109.06520	5.0
109.10141	15.7
111.08066	4.3
111.11733	10.4
113.09650	12.2
115.03955	3.3
117.01883	4.2
117.07070	2.0
119.07067	3.6
119.08574	4.5
121.02879	2.3
121.06501	3.7
121.10139	30.1
123.11720	8.3
125.09624	9.8
127.02975	3.9
127.03918	75.6
129.01871	5.2
131.04848	1.9
131.08568	2.9
133.06554	2.4
133.10135	14.0
134.10477	3.3
135.08061	4.1
135.11679	13.4
137.06010	2.3
137.09637	2.7
137.13258	16.4
139.11174	8.1
145.04956	29.0
145.10129	4.1
147.02887	4.6
147.11639	2.2
149.13281	3.1
151.07536	2.7
151.14871	8.1
153.12781	19.9
157.12210	2.4
159.02901	29.8
159.11789	2.2
163.11153	2.0
163.13336	2.8
164.13602	2.3
165.09061	2.1
177.16396	65.9
185.01302	1.7
189.04027	3.8
195.13792	3.8
195.17455	86.1
209.02812	1.7
213.03926	2.7
213.07767	1.8
213.16479	3.3
213.18492	62.7
231.04965	19.1
237.18544	2.4
293.34885	1.6
297.22623	1.8
333.24951	1.8
353.03577	2.0
383.88809	2.1
395.18900	2.1
417.21310	2.2
425.21869	2.0
461.23901	24.8
461.30963	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01861	1.0
55.05517	6.9
57.03444	6.0
59.33585	0.5
61.02927	1.3
65.03934	1.6
67.05509	20.8
69.03419	2.1
69.06765	0.6
69.07075	5.2
71.04953	1.8
73.02898	0.9
73.06554	0.7
79.05502	25.8
81.03419	5.6
81.07064	17.4
83.04987	8.2
83.08628	3.1
85.02919	3.5
85.06551	1.3
91.04908	1.1
91.05489	20.2
93.07050	26.6
95.04981	7.8
95.08621	11.6
97.02887	1.7
97.06520	2.4
97.10158	1.7
98.97552	0.7
105.04464	0.8
105.07043	15.9
107.04944	2.2
107.08606	8.1
109.02880	0.9
109.06538	2.8
109.10172	3.2
111.04433	0.9
111.08130	0.8
114.08521	0.5
117.07014	4.1
119.08589	11.3
121.06540	1.4
121.10123	2.7
123.08074	2.9
123.11697	1.2
125.09624	0.9
127.03912	1.6
128.06232	1.5
129.07021	5.7
131.08563	1.9
133.10110	4.8
135.11687	0.8
137.09668	1.0
143.08594	4.0
145.06531	0.6
145.10117	3.8
147.08054	1.7
147.11696	14.7
151.18889	0.6
161.09618	1.7
161.13266	4.3
163.03877	0.8
165.09128	1.5
168.87119	0.7
171.11690	9.0
189.12746	5.1
207.13831	9.2
268.96011	0.6
281.17499	100.0
282.17838	1.3
287.11411	0.6
387.24765	0.8
443.22998	0.8
461.17102	0.7
461.28595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.03421	0.9
63.18409	0.5
67.01633	1.1
67.05500	2.0
69.03417	1.0
69.07044	0.9
70.06600	0.6
76.94872	0.5
79.05500	2.6
80.67268	0.5
81.03421	1.3
81.07052	2.3
83.04997	1.0
83.08591	0.7
85.02907	1.8
85.06524	0.6
91.05492	1.9
93.07062	2.8
95.04958	1.2
95.08610	1.7
97.06491	0.7
97.10175	0.7
105.07037	1.9
106.50289	0.5
107.05001	0.8
107.08598	1.5
109.02867	0.7
109.10176	1.8
111.08018	0.5
117.06989	0.9
119.08553	1.0
121.06517	0.7
121.10176	1.6
127.03903	0.9
131.08572	0.8
133.10193	0.8
135.11711	0.6
137.09482	0.8
147.11716	0.8
165.09158	1.5
171.11647	1.3
189.12871	0.7
207.13893	0.9
213.14618	10.4
213.18559	0.6
241.14107	7.0
255.15576	0.9
269.53094	0.6
281.17474	7.5
357.19043	2.5
371.37302	0.6
375.19907	20.4
417.20956	64.3
418.21185	1.1
437.54004	0.6
461.19949	100.0
462.20413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01402	1.7
53.03953	10.4
55.01872	8.0
55.05516	16.3
55.45187	1.8
56.96561	2.6
57.03439	28.0
59.04998	7.4
61.02924	7.7
67.05507	34.7
68.99811	1.8
69.03433	24.6
69.07078	19.1
70.06597	3.6
70.59164	3.7
71.01360	3.8
71.05001	22.5
72.08141	4.6
73.02913	10.3
73.06596	1.7
78.98001	2.0
79.05071	3.3
79.05499	44.3
81.03423	100.0
81.07059	42.3
83.04989	15.3
83.08624	15.8
85.02908	35.8
85.06544	7.7
86.09714	6.0
87.00810	4.9
87.04488	5.5
88.72011	1.7
91.03963	4.4
91.05489	51.2
93.07050	34.9
95.04976	30.7
95.08611	25.9
97.02899	28.0
97.06533	13.7
97.10166	3.0
98.97599	4.4
99.04443	10.2
99.08099	6.1
101.02387	7.8
103.03947	10.4
105.01884	2.0
105.07037	36.2
107.04967	14.2
107.08595	19.3
109.02891	17.6
109.06521	10.1
109.10176	5.3
111.04420	3.9
111.08087	9.9
113.06007	2.5
113.09657	2.4
115.03937	4.3
117.07031	5.6
119.08590	28.2
121.06512	8.6
121.10150	26.4
123.04435	3.6
123.08063	6.2
125.06079	1.9
125.09617	2.5
127.03931	20.6
129.05434	2.8
129.06996	14.4
131.04915	3.1
131.08572	20.4
133.06511	4.5
133.10139	21.8
135.08080	2.7
135.11711	5.4
137.06015	2.5
137.09616	3.5
137.13243	3.3
139.11188	1.9
142.07745	2.7
145.04991	8.4
145.10178	7.0
147.04430	2.2
147.08061	3.9
147.11693	28.9
149.09636	27.0
151.11125	2.9
153.12823	2.9
157.10115	16.7
159.02846	3.5
159.06580	5.2
159.11795	2.5
161.05995	2.7
161.13127	1.9
163.03857	2.7
163.11176	4.9
165.12773	6.5
171.06607	2.4
173.04504	3.5
173.09534	2.2
175.11186	20.0
177.05641	2.2
177.12708	3.0
177.16478	8.9
179.14336	2.1
183.06577	8.6
189.09190	3.0
193.12250	50.7
195.13797	3.0
195.17447	9.6
197.15442	9.1
201.07544	4.9
205.12273	2.2
207.13869	2.6
211.13252	15.2
213.18539	8.1
215.07048	2.3
217.12192	2.4
223.13303	2.8
225.14868	19.7
235.13232	11.4
241.14326	4.1
243.09093	2.7
249.14819	18.8
259.09869	3.7
259.13269	7.1
264.61700	1.9
267.15930	76.9
268.10696	2.9
273.14874	4.0
277.14352	5.7
285.16995	9.1
287.05673	2.3
291.15799	3.3
295.15384	5.6
299.18597	27.1
301.14325	7.2
303.05045	5.0
307.15475	2.2
309.16995	31.2
319.15466	3.3
337.16647	2.0
351.17911	5.0
361.02399	6.2
363.17859	4.5
375.18002	10.2
382.89932	2.1
393.19043	6.5
395.05777	1.9
411.20114	8.2
429.21118	7.0
435.24768	1.8
461.14038	2.8
461.23795	38.1
461.30945	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	461.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.96553	0.8
57.03427	0.4
67.01612	0.7
67.05505	1.2
69.03415	1.1
69.07063	1.0
69.22001	2.8
69.22414	0.8
71.04977	0.5
73.02910	0.4
77.36473	0.4
79.05488	1.4
81.03416	1.1
81.07069	1.5
82.36519	0.4
85.02906	1.0
85.06541	0.7
86.09692	0.9
88.55240	0.3
91.05486	1.3
91.08750	0.3
93.07051	1.1
95.04947	0.4
95.08603	0.8
97.02890	0.5
97.06538	0.7
98.21548	0.7
98.97577	1.5
105.07019	1.0
107.08576	1.0
109.02903	0.6
109.06526	0.5
109.10168	0.6
110.97553	0.6
112.99138	0.4
113.00010	0.4
114.67359	0.4
116.98615	0.5
118.31230	0.3
119.08562	0.5
119.76247	0.4
121.10122	0.8
124.98976	0.4
127.03894	1.0
129.11986	0.4
131.08627	0.4
133.10175	0.8
135.11711	0.4
137.06073	0.4
139.32072	0.4
147.11609	0.4
148.36833	0.4
157.10176	0.5
159.11755	0.5
161.09618	0.5
163.98288	0.4
165.09084	0.4
177.16315	0.4
185.04276	0.6
206.73930	0.4
211.13199	0.5
213.14624	9.1
213.16640	0.6
213.18564	0.8
237.02853	0.5
241.14101	7.3
243.36354	0.4
247.67538	0.4
255.15749	0.9
275.20129	0.5
301.91248	0.4
349.23962	0.4
357.18842	2.7
375.19998	23.5
394.03143	0.4
417.20984	44.2
418.21075	0.6
419.91586	0.4
461.19952	100.0
462.20389	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01862	2.8
55.05500	2.0
56.05018	1.3
57.03438	5.1
57.07079	13.9
61.02927	10.3
63.04213	1.0
63.04496	14.6
67.05477	1.0
69.03094	1.1
69.03437	16.6
69.07063	2.2
70.02950	1.9
70.06580	4.4
71.04991	2.0
71.13804	2.4
72.08158	15.1
73.02917	4.0
73.47459	1.4
74.06056	1.4
75.93712	0.9
81.03417	9.7
83.04963	1.5
84.04505	5.1
84.08143	2.9
85.02909	100.0
86.09226	1.7
86.09712	29.1
87.04449	2.0
87.05587	4.1
87.10036	1.0
88.03967	3.3
91.03960	6.3
97.02896	23.3
98.02417	2.5
98.97557	1.4
99.04446	3.9
101.07130	1.1
109.02886	8.7
109.06502	1.2
109.10229	1.1
110.07178	1.3
119.10700	90.8
123.08022	1.1
127.03927	26.7
129.10228	4.0
130.04984	4.7
143.00160	1.0
143.04527	3.2
145.04967	43.6
147.07674	5.5
154.04836	1.0
163.04765	1.2
163.06036	18.8
167.04520	1.6
173.12901	4.1
177.05469	1.6
182.04906	2.4
184.07248	1.8
185.05580	1.6
201.12320	3.5
202.08235	1.5
203.13966	1.1
208.02974	2.8
219.01672	1.1
228.13416	2.6
230.07748	9.5
242.15042	1.5
260.16028	5.5
263.08887	1.0
281.15970	2.3
287.03787	3.3
288.04080	2.9
289.05267	1.6
289.08942	1.1
305.08154	1.0
325.11102	3.3
328.08862	2.0
329.14526	5.2
416.19733	2.1
460.18640	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	459.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.5
57.07059	15.0
66.41992	6.0
66.51569	6.2
67.05505	35.9
69.07069	52.9
69.79688	34.1
71.04970	7.2
79.05485	22.6
81.07056	98.9
83.04953	10.6
83.08577	15.6
91.05481	20.5
93.07033	43.9
95.08075	7.6
95.08614	100.0
97.06567	10.4
97.10146	9.8
98.20811	6.5
105.07048	39.8
107.08580	50.1
109.10165	74.2
111.04425	7.6
119.08618	39.2
121.06527	5.7
121.10146	45.1
123.11699	29.8
131.08568	18.6
133.10129	36.5
135.11653	45.1
137.13242	26.4
139.11226	8.5
145.10120	21.0
145.77383	5.8
147.11697	25.6
149.13235	24.8
157.10101	8.9
159.11726	12.6
161.13293	14.0
163.14813	12.0
165.12827	8.6
173.13274	11.0
175.14766	15.6
177.16429	17.1
189.16339	8.8
191.17935	10.7
193.15852	10.2
201.16391	8.8
203.17955	8.8
215.18054	7.4
217.19638	7.2
243.45114	6.5
281.19382	6.7
405.35736	6.3
423.35901	10.4
441.37207	16.6
459.38217	22.4
472.72681	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	459.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.6
57.07084	9.5
67.05494	27.1
69.03456	7.8
69.07081	50.8
71.03416	10.5
71.03753	9.9
71.05001	36.8
79.05486	17.5
81.07063	91.4
83.08607	10.4
85.06541	12.5
91.05489	15.2
93.07047	35.0
95.08614	71.3
96.37244	6.6
97.10155	12.1
105.07031	31.7
107.08598	65.3
109.10165	62.7
119.08610	31.4
121.10124	28.9
123.11706	19.6
125.09648	48.8
125.67467	6.7
127.11185	28.7
131.08556	14.2
133.10139	32.4
135.11679	24.6
137.13252	18.5
143.10672	100.0
145.10101	16.7
147.11699	18.4
149.13193	20.2
157.10118	11.5
159.11710	20.9
161.13332	9.5
163.14853	8.9
171.11589	8.4
173.13223	11.1
175.14830	7.1
185.13148	9.1
187.14761	12.5
213.16335	7.4
217.19472	9.2
301.25299	8.1
423.35986	8.5
441.36951	14.1
459.38568	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	459.3835
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
50.16835	3.4
51.19675	3.4
51.21959	3.9
55.05513	17.8
56.03349	3.3
57.07074	13.2
62.39348	3.4
67.05511	35.3
69.03422	6.7
69.07072	52.8
70.78065	8.1
70.78400	6.9
71.04997	9.6
71.33179	3.4
73.06564	4.1
79.05505	24.4
81.07062	100.0
83.04995	10.3
83.08618	15.8
85.06548	13.7
86.51875	3.3
91.05492	21.7
93.07050	46.2
95.04996	4.3
95.08613	87.4
97.06549	6.7
97.10181	9.6
105.07052	44.9
107.08607	58.1
109.06537	3.2
109.10162	66.9
111.04465	7.8
111.08097	7.4
111.11717	8.4
119.08593	31.4
121.10141	39.6
123.11736	39.5
125.09647	6.0
131.08580	11.7
133.10155	28.1
135.11710	41.9
137.09692	5.0
137.13232	16.3
139.11212	5.3
143.08577	3.8
145.10146	14.9
147.11717	27.8
149.13243	25.3
151.11194	9.5
157.10141	7.8
159.11722	13.1
159.74561	3.3
161.13295	26.5
163.14864	9.8
165.12755	5.7
169.12305	4.9
171.11749	6.7
173.13310	13.4
175.14877	11.8
177.16406	15.0
187.14856	15.5
189.16422	13.7
199.14832	5.7
201.16428	10.2
203.17975	14.1
213.16360	8.7
215.17992	7.6
216.28867	3.7
217.19543	13.0
227.17979	5.1
229.19402	3.9
231.17412	3.7
246.13715	3.8
249.18494	5.5
259.24380	4.8
267.19730	5.4
285.25912	4.0
369.31497	6.0
423.36139	14.5
441.37482	27.6
459.37985	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	459.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01865	7.9
55.05511	27.5
57.03431	7.8
57.50334	2.4
59.05016	2.8
61.02924	3.9
62.07326	2.4
66.49918	2.6
67.05511	32.7
69.03428	21.0
69.06799	2.1
69.07081	24.3
69.29646	9.5
69.30063	9.4
71.04993	12.8
73.02918	2.4
79.05502	26.9
81.03417	30.2
81.07066	36.6
83.04990	10.9
83.08617	17.8
85.02911	40.9
85.06570	3.1
87.00829	16.8
91.05482	23.2
93.07059	31.3
95.04981	17.9
95.08618	30.5
97.02891	16.1
97.06542	25.0
97.10154	13.1
98.97583	3.5
99.04449	7.6
99.08045	2.2
105.01875	18.2
105.07032	25.9
106.93365	2.6
107.04931	12.9
107.08598	33.9
109.02888	13.0
109.06536	16.9
109.10162	21.4
111.04428	3.0
111.08083	6.7
111.11777	2.4
115.05502	2.5
115.07546	18.0
116.10711	3.2
117.07018	8.5
119.08582	34.1
121.06516	10.1
121.10140	17.5
123.04428	3.3
123.08092	16.3
123.11709	18.0
125.09657	8.6
127.03899	21.2
128.29593	2.3
129.07005	10.8
131.05005	2.4
131.08566	10.2
133.06534	5.1
133.10129	43.7
135.08061	5.4
135.11687	38.9
137.06021	3.8
137.09633	10.3
141.12744	3.5
143.08578	7.0
145.04950	10.8
145.06485	13.1
145.10167	7.7
147.08066	5.0
147.11720	7.6
149.09630	4.4
149.13254	19.1
151.07515	3.2
151.11183	3.7
153.09052	2.8
153.12776	3.3
155.08546	4.4
157.06534	3.8
157.10127	5.7
159.34438	2.2
161.09665	4.9
163.11139	4.5
165.12775	2.9
169.10068	3.5
171.11684	3.0
173.09624	3.8
175.11302	3.4
175.14839	51.7
183.11705	3.4
189.11292	4.3
193.12285	11.9
193.15891	75.4
195.11740	4.7
197.13306	3.1
199.11215	3.1
205.12500	2.7
209.13428	2.5
211.16933	100.0
212.01732	2.6
233.15581	2.4
237.12906	3.4
245.15474	3.5
255.13708	2.6
273.14868	11.4
339.23434	4.7
345.24631	3.1
349.21631	12.9
361.24252	3.4
367.22632	32.5
385.23798	27.3
403.24725	6.6
423.24988	3.0
441.20749	6.3
441.26520	6.5
459.21732	9.6
459.27469	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01874	1.8
55.05509	6.0
56.14183	0.9
57.03456	0.9
57.07070	1.6
59.05001	1.3
60.21062	0.8
61.72865	0.9
67.05510	13.8
69.03432	8.1
69.07069	9.1
70.07865	3.4
70.29051	0.8
71.04985	3.0
79.05497	1.4
81.03422	2.8
81.07057	13.8
83.04982	5.9
83.08617	5.2
85.02907	10.0
85.06555	1.9
87.00816	3.8
91.05494	1.9
93.07038	7.8
95.04969	1.6
95.08615	25.5
97.02922	1.8
97.10153	1.8
98.21537	1.1
99.08089	3.0
105.01886	2.2
105.07023	6.4
107.08608	18.2
109.02868	3.4
109.06535	8.0
109.10164	90.6
111.08085	2.5
111.11728	1.4
113.09648	1.8
119.08588	36.8
121.10153	10.5
123.08078	11.3
123.11699	7.3
127.03924	5.3
133.10146	18.3
135.11697	100.0
136.12050	1.5
137.09627	14.0
139.11179	2.2
145.04964	1.9
149.13252	6.1
151.11171	6.5
151.14832	9.3
153.12778	2.3
165.16362	2.1
175.14841	42.6
191.65881	0.8
193.15894	72.4
194.16116	0.9
211.16942	74.6
212.17250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
54.30577	0.4
57.03439	0.5
67.05505	1.0
69.03423	1.7
69.07060	0.7
70.06606	3.6
71.04945	0.4
72.08147	1.3
73.02901	0.9
79.05513	0.7
81.03407	1.5
81.07062	1.4
83.04976	0.7
84.04516	1.0
84.08150	0.6
85.02907	1.9
86.09712	2.7
91.05486	0.9
93.07040	1.3
97.02870	1.2
102.54768	0.5
107.08598	1.3
109.02914	0.6
109.10158	1.5
110.07188	0.7
119.08564	0.6
127.03915	1.5
129.10271	0.8
129.89673	0.6
130.05051	0.5
133.10098	0.5
134.04597	0.7
135.11687	0.7
136.07567	1.0
145.04953	0.5
147.08086	0.8
165.02306	0.7
171.05072	0.5
176.50987	0.5
182.04971	6.0
193.12030	1.1
195.13617	3.6
201.03763	1.0
203.05374	1.0
208.02905	6.9
211.13054	2.0
211.16983	1.2
227.05222	0.7
243.04741	4.5
245.06348	2.2
253.12906	2.4
271.13943	0.8
287.03751	51.7
289.05307	16.2
313.14960	0.6
327.08725	3.5
373.18213	1.1
415.19476	8.6
459.18399	100.0
460.18259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01867	2.4
55.05516	9.2
57.03425	2.4
57.07063	2.2
59.04981	2.1
61.02932	1.6
67.05509	6.8
68.99772	1.3
69.03431	10.0
69.07064	5.6
69.44456	6.9
70.06598	5.8
71.05002	3.4
72.08144	3.8
73.02914	2.4
79.05501	6.0
79.54893	1.0
81.03431	7.7
81.07063	9.8
83.04987	4.8
83.08612	2.7
84.08153	1.5
85.02914	16.5
85.06551	32.1
86.09692	3.6
87.00835	3.8
88.84726	1.1
91.05482	11.5
91.66061	1.1
93.07051	10.1
94.98439	1.1
95.04968	5.0
95.08611	11.0
97.02912	6.8
97.06548	6.8
98.97569	1.8
99.04450	3.5
99.08099	19.8
101.05999	1.8
105.01875	1.9
105.07031	16.5
107.08595	14.0
109.02862	5.7
109.06534	19.0
109.10151	8.1
111.08079	2.1
113.09676	1.3
117.07020	1.6
119.08591	10.8
120.08110	1.7
121.06519	1.2
121.10143	19.1
123.08049	4.5
123.11732	1.5
125.09649	6.0
127.03934	10.2
129.07018	1.4
131.08565	11.8
133.09117	2.4
133.10136	50.3
135.08087	6.6
135.11700	4.2
139.11185	13.5
143.08554	3.2
145.04968	3.7
145.10117	6.2
147.11710	10.5
149.09628	24.8
149.13266	4.1
151.07452	1.7
151.11191	2.3
153.09070	2.2
157.10143	3.2
157.12251	4.3
158.10909	3.9
159.02861	1.9
159.11710	2.3
163.14844	2.3
165.12791	3.4
167.10649	2.0
171.11693	3.4
173.13271	29.0
175.14836	4.4
175.16251	1.2
177.16385	1.9
178.71584	1.1
179.14351	1.2
184.07375	4.7
185.07666	1.6
185.13255	4.3
191.10509	3.4
191.14311	45.1
199.14885	2.4
201.12614	1.1
201.16405	4.7
203.05254	2.4
203.14357	3.9
209.11545	7.4
209.15361	20.4
237.11041	3.0
238.45712	1.0
241.19521	4.0
241.51436	1.2
245.06340	2.2
259.20627	16.1
277.21716	6.6
279.19293	3.4
289.05402	2.8
353.15756	1.8
371.16733	15.5
413.17795	35.8
439.26581	1.5
457.16736	100.0
457.23944	31.8
458.17255	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	457.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01867	2.4
55.05516	9.2
57.03425	2.4
57.07063	2.2
59.04981	2.1
61.02932	1.6
67.05509	6.8
68.99772	1.3
69.03431	10.0
69.07064	5.6
69.44456	6.9
70.06598	5.8
71.05002	3.4
72.08144	3.8
73.02914	2.4
79.05501	6.0
79.54893	1.0
81.03431	7.7
81.07063	9.8
83.04987	4.8
83.08612	2.7
84.08153	1.5
85.02914	16.5
85.06551	32.1
86.09692	3.6
87.00835	3.8
88.84726	1.1
91.05482	11.5
91.66061	1.1
93.07051	10.1
94.98439	1.1
95.04968	5.0
95.08611	11.0
97.02912	6.8
97.06548	6.8
98.97569	1.8
99.04450	3.5
99.08099	19.8
101.05999	1.8
105.01875	1.9
105.07031	16.5
107.08595	14.0
109.02862	5.7
109.06534	19.0
109.10151	8.1
111.08079	2.1
113.09676	1.3
117.07020	1.6
119.08591	10.8
120.08110	1.7
121.06519	1.2
121.10143	19.1
123.08049	4.5
123.11732	1.5
125.09649	6.0
127.03934	10.2
129.07018	1.4
131.08565	11.8
133.09117	2.4
133.10136	50.3
135.08087	6.6
135.11700	4.2
139.11185	13.5
143.08554	3.2
145.04968	3.7
145.10117	6.2
147.11710	10.5
149.09628	24.8
149.13266	4.1
151.07452	1.7
151.11191	2.3
153.09070	2.2
157.10143	3.2
157.12251	4.3
158.10909	3.9
159.02861	1.9
159.11710	2.3
163.14844	2.3
165.12791	3.4
167.10649	2.0
171.11693	3.4
173.13271	29.0
175.14836	4.4
175.16251	1.2
177.16385	1.9
178.71584	1.1
179.14351	1.2
184.07375	4.7
185.07666	1.6
185.13255	4.3
191.10509	3.4
191.14311	45.1
199.14885	2.4
201.12614	1.1
201.16405	4.7
203.05254	2.4
203.14357	3.9
209.11545	7.4
209.15361	20.4
237.11041	3.0
238.45712	1.0
241.19521	4.0
241.51436	1.2
245.06340	2.2
259.20627	16.1
277.21716	6.6
279.19293	3.4
289.05402	2.8
353.15756	1.8
371.16733	15.5
413.17795	35.8
439.26581	1.5
457.16736	100.0
457.23944	31.8
458.17255	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01867	3.4
55.05506	5.1
57.03429	4.2
57.07074	2.3
61.02921	3.3
65.03961	1.1
67.05512	6.7
68.99805	2.3
69.03436	15.1
69.07065	4.8
70.06595	2.4
70.91521	1.5
70.91881	2.5
71.04995	6.2
73.02921	2.5
79.05487	6.4
79.40711	1.1
81.03429	17.2
81.07072	13.4
83.04982	6.1
83.08628	7.8
84.83812	1.1
85.02912	25.4
85.06551	7.2
86.09724	1.4
87.00832	12.0
91.05483	3.7
93.07055	8.5
95.04979	100.0
95.08621	4.5
97.02914	10.5
97.06549	4.4
99.04460	29.9
99.08096	2.8
103.03939	1.9
105.01875	4.9
105.07060	5.7
107.08607	11.9
109.02892	13.4
109.06557	6.4
109.10158	13.9
111.04444	2.6
111.08074	4.1
115.03909	1.7
115.07594	1.3
117.01837	2.0
119.08591	5.1
121.06541	3.0
121.10166	11.4
121.51281	1.2
123.08081	4.1
123.11707	3.2
125.06019	2.9
125.09660	3.3
127.03935	23.7
129.01913	1.5
131.08560	3.0
133.06482	1.3
133.10159	9.1
135.08080	12.5
135.11719	1.2
137.06006	2.3
137.09630	2.1
139.07535	1.4
139.11194	5.4
145.04985	7.5
145.10193	1.2
147.08052	2.5
147.11716	3.0
149.05997	1.5
149.09669	3.1
149.13275	6.1
151.07530	3.4
151.11243	2.6
151.81862	1.0
153.07918	2.3
153.09117	31.9
159.02916	4.9
161.13252	1.4
163.07550	1.5
165.12766	2.6
167.07104	1.6
167.14320	10.0
171.02837	1.4
171.10191	2.1
171.11658	1.6
173.13266	7.6
175.14900	3.2
181.12263	2.0
189.03954	3.7
189.12889	1.6
191.14305	14.0
203.14368	1.2
207.13857	1.8
209.15381	73.4
229.12001	1.6
231.04942	3.7
251.16719	1.4
259.20590	2.5
335.18884	1.3
371.16684	2.0
413.17783	5.9
421.18527	1.7
439.19540	3.0
457.16135	20.0
457.23953	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.79679	0.6
55.01855	2.3
55.05505	1.7
57.03425	1.0
61.02929	0.8
67.05494	2.2
68.99783	1.1
69.03091	0.8
69.03436	12.4
69.07058	2.2
69.45521	5.4
71.04981	1.1
73.02904	1.6
76.30994	0.7
79.05479	1.3
81.03417	10.4
81.07056	4.7
83.04980	2.7
85.02905	13.7
87.00828	5.4
87.04453	0.7
91.05481	2.2
93.07024	2.8
95.04966	2.3
95.08617	3.8
97.02895	5.7
98.20759	1.3
99.04455	2.8
99.08091	1.1
105.01864	2.9
105.07043	4.1
107.04936	1.2
107.08601	13.1
109.02893	4.3
109.06516	5.2
109.10170	4.6
117.01827	0.9
117.06952	1.0
119.08559	2.6
121.06518	1.3
121.10156	15.1
122.07327	3.2
123.08067	3.6
123.11703	2.2
127.03927	10.2
129.01781	0.7
131.08530	1.5
133.10139	43.2
135.08066	6.2
135.11674	1.4
137.09622	36.3
145.04984	3.7
147.11679	2.7
149.09647	5.2
149.13242	9.3
151.09979	1.2
151.11197	19.8
158.10933	1.0
159.02950	3.8
163.14832	1.8
165.12769	30.6
173.13281	4.1
173.96027	0.7
191.14316	27.9
193.15880	2.6
209.15375	100.0
210.15695	1.5
231.05016	1.8
315.60403	0.7
457.21005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.1
55.01853	9.6
55.05498	7.0
56.96563	4.0
57.03426	6.7
57.07030	1.7
61.02921	4.2
64.19636	2.0
67.05504	6.0
68.99772	3.4
69.03433	37.4
69.07072	16.3
69.25201	19.9
71.04984	7.8
73.02910	6.7
79.05484	5.9
81.03419	42.3
81.07060	10.1
83.04965	4.0
83.08604	2.5
85.02910	64.0
87.00830	25.0
91.05457	6.4
93.07049	10.6
95.04970	14.2
95.08612	10.3
97.02896	21.1
97.06528	8.2
98.21507	4.5
98.97591	4.1
99.04442	15.6
101.22519	2.0
105.01875	16.3
105.07028	7.6
107.04961	2.3
107.08612	13.2
109.02883	42.2
109.06511	7.5
109.10161	7.4
117.01846	2.6
117.07003	2.7
119.08578	8.7
121.06495	4.0
121.10130	8.1
122.07291	7.2
123.08067	16.6
127.03918	66.6
129.01854	5.3
129.07005	3.1
131.08556	4.9
133.10153	18.2
135.08055	42.4
135.09024	4.2
135.11710	5.0
137.09622	7.4
145.04971	32.0
145.10133	3.5
146.89003	1.9
147.02945	5.8
147.11732	4.9
149.09610	3.7
149.13280	2.3
159.02896	29.5
165.09143	3.6
165.12758	20.0
173.13231	3.9
175.14839	2.9
177.12794	2.2
191.14310	100.0
193.12297	2.3
193.15877	6.8
205.12158	2.4
207.13780	10.2
209.15315	17.6
213.03897	3.7
231.05011	23.1
268.26663	1.9
292.12637	2.7
293.13297	3.5
330.37750	2.1
344.64413	2.0
349.16696	2.5
367.17944	2.4
377.15848	2.8
395.16910	3.5
413.17996	6.2
457.20578	65.3
457.25888	6.8
466.64624	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
54.71688	1.7
55.05509	2.0
57.03435	1.9
67.05505	5.0
69.03433	14.6
69.07063	7.9
69.47705	2.7
69.48026	12.8
71.04998	3.9
79.05490	5.5
81.03418	3.8
81.07053	9.7
83.04981	8.8
83.08638	2.8
85.02898	8.7
87.00838	4.4
91.05492	4.0
93.07042	6.4
95.05011	3.2
95.08619	20.0
97.02879	2.5
97.06519	4.4
99.08078	2.9
105.01874	3.7
105.07025	7.8
107.04977	2.3
107.08604	32.3
109.02913	4.3
109.06515	7.8
109.10160	16.4
119.08582	6.6
121.06516	3.0
121.10149	33.6
122.07305	4.3
123.08079	2.5
124.03928	1.8
125.09660	9.5
127.03915	6.9
131.08551	4.3
133.10136	61.0
135.07173	2.1
135.08067	13.7
135.11736	4.5
137.09622	40.1
139.11182	6.6
145.10106	3.5
147.11681	7.0
149.09644	11.1
149.13274	22.0
151.11191	62.7
153.09100	3.5
163.14819	13.2
165.12788	4.4
167.10687	5.2
173.13290	16.6
191.14311	100.0
209.15373	76.0
289.91547	1.9
484.60303	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01863	2.1
55.05499	2.8
57.03431	1.1
57.07071	1.1
61.02948	0.9
67.05502	3.6
68.99774	0.7
69.03436	10.6
69.07056	2.0
70.08261	2.1
70.08659	1.0
71.04987	1.3
73.02893	0.8
77.53306	0.7
79.05498	4.8
81.03418	8.0
81.07055	6.1
83.04967	2.6
85.02901	12.2
87.00838	5.3
91.05500	3.6
93.07043	3.4
95.04952	1.9
95.08649	3.2
97.02900	4.1
99.04457	1.9
99.08150	0.8
103.05434	0.7
105.01871	3.0
105.07044	7.8
107.04939	2.7
107.08601	21.5
109.02872	5.5
109.06525	5.6
109.10149	5.4
115.05415	1.1
117.07003	1.9
119.06079	0.7
119.08594	3.9
121.06517	1.6
121.10153	17.4
122.07300	7.1
123.08072	2.9
123.11678	1.5
127.03919	8.4
131.08559	3.2
133.10133	100.0
134.10458	1.4
135.08080	7.9
135.11731	1.7
137.09622	58.4
143.08586	0.8
145.04987	3.5
145.10106	1.5
147.02844	1.1
147.11681	2.7
149.09631	4.3
149.13275	12.5
151.11192	12.7
152.34525	0.8
158.10854	1.0
158.44615	0.7
159.02927	3.0
163.14827	2.4
165.12752	21.8
165.14165	1.2
173.13271	6.4
191.14314	54.9
193.15887	1.4
209.15370	79.7
213.03876	1.3
230.33618	0.7
231.05095	1.3
307.49078	0.6
356.08536	0.6
364.66125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01868	0.7
55.05508	0.6
57.07095	0.7
67.05476	0.6
69.03423	1.9
69.07063	1.2
69.76780	2.1
69.77164	0.9
70.06579	1.3
71.04974	0.9
73.02903	0.5
79.05495	5.0
81.03406	1.5
81.06590	0.8
81.07055	11.8
83.04974	1.0
83.08621	0.9
85.02909	3.7
86.09714	1.8
87.00824	1.2
91.05465	1.5
92.24258	0.5
93.07045	2.3
95.04958	1.8
95.08628	1.3
97.02889	1.8
97.06497	1.0
99.04453	1.1
105.01871	1.1
105.07018	2.4
107.08585	2.6
109.02739	2.6
109.06523	16.8
109.10151	1.5
111.08073	0.7
114.09858	0.5
117.06998	0.8
119.08582	1.0
119.30483	0.5
121.06503	0.4
121.10156	1.9
123.08073	1.2
123.11742	1.1
127.03943	2.5
130.69887	0.5
131.08562	2.3
133.10129	5.7
135.08076	2.5
135.11702	0.5
137.09538	0.5
139.07550	0.4
139.11191	0.5
145.04942	1.1
145.10118	0.5
147.08072	0.5
147.11703	1.7
149.09605	2.8
149.13263	1.8
153.09105	1.3
159.02901	1.0
167.14352	1.1
173.13304	3.9
184.07336	0.5
185.04195	0.5
191.10532	3.4
191.14302	11.8
203.05247	0.8
209.11508	10.9
209.15379	10.8
237.10977	2.7
245.06375	2.9
289.05298	2.3
293.84091	0.5
333.12149	0.6
353.15823	1.3
371.16791	13.7
413.17825	36.1
414.18127	0.8
439.18967	0.5
457.16803	100.0
457.23526	5.1
458.17365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01866	2.8
55.05505	1.5
56.96567	0.6
57.03438	1.1
57.07082	0.6
61.02930	0.6
67.05496	1.5
69.03439	4.3
69.06747	0.7
69.07078	11.5
69.45490	3.9
71.04992	1.5
73.02930	0.5
75.59525	0.5
79.05505	2.5
81.03416	2.5
81.07047	2.2
83.04975	2.0
85.02904	5.3
86.09722	0.6
87.00810	1.8
91.05482	5.2
91.82789	0.5
93.07049	11.5
95.04970	1.2
95.08605	4.2
96.44810	0.5
97.02877	2.3
97.06551	2.7
98.97608	0.9
99.04440	0.8
105.01882	1.2
105.07031	3.2
107.04896	0.5
107.08612	8.8
109.02881	2.1
109.06493	1.3
109.10144	1.7
111.08060	1.1
112.44387	0.5
117.07017	1.1
119.08593	2.9
121.06512	13.6
121.10148	8.4
123.08066	1.8
123.11686	0.8
125.09608	1.3
127.03916	2.4
131.08574	4.2
133.10141	5.1
135.08076	6.4
135.11693	1.7
137.09601	1.7
145.04942	0.9
145.10097	2.6
147.11699	29.3
149.09598	3.5
149.13261	7.0
151.11234	0.8
158.10892	1.4
159.02872	0.8
161.09608	5.0
163.11179	0.7
163.14813	2.2
165.09131	0.6
165.12737	0.9
173.13264	7.8
176.11966	1.3
177.12523	0.5
191.14316	100.0
207.91270	0.5
209.15396	12.4
242.87511	0.5
286.06937	0.5
439.19254	0.6
457.15045	1.1
457.20486	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	457.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07830	1.2
55.01852	1.2
55.05502	1.2
56.62748	1.2
56.96555	5.0
57.50415	1.3
61.02927	1.5
69.03427	2.4
69.07053	1.7
70.06580	2.9
71.05000	1.2
71.37438	2.1
71.37797	1.3
81.03408	1.9
81.07068	1.2
84.08122	1.8
84.96029	6.2
85.02897	2.9
86.09713	10.9
87.00883	1.5
90.92878	1.1
91.05490	1.7
93.07048	3.0
95.04988	2.7
95.08601	2.2
96.73705	1.3
97.02869	1.7
98.96941	2.5
98.97590	45.6
105.07014	2.1
107.08580	1.8
112.99126	11.2
116.07120	1.3
116.98620	11.8
119.08581	1.8
119.11109	1.2
120.08079	5.3
126.97082	1.9
127.03918	2.3
128.98581	2.0
130.08691	1.2
131.00165	9.5
131.08630	1.5
133.10123	3.6
134.99651	2.8
140.98608	2.6
144.98070	2.5
145.44127	1.3
149.01265	3.5
149.09604	1.7
158.99664	14.5
159.66019	1.4
160.25829	1.1
163.03883	1.3
164.07079	1.4
172.10760	1.7
173.01143	6.6
173.13278	2.6
177.00706	9.1
183.47769	1.4
191.02252	7.9
191.14352	3.7
201.00708	4.5
209.11447	3.2
209.15358	4.7
219.01741	5.7
229.11696	1.4
237.10953	2.3
251.09523	11.6
261.11292	1.6
265.11093	5.0
269.10550	11.9
277.17874	1.5
283.12186	3.2
293.10565	10.0
295.19031	1.5
311.11639	8.4
323.11630	2.1
325.03159	2.4
325.13129	4.0
371.12570	1.5
371.17035	13.2
387.43106	1.3
413.18048	32.3
457.07648	5.9
457.15936	100.0
457.23907	18.8
457.31027	7.5
458.16110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1121
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03945	4.1
55.05509	1.5
56.96558	2.3
57.03445	7.3
59.05000	4.0
67.05502	1.1
69.03438	18.0
69.07093	1.4
70.06600	9.3
71.04990	6.0
71.53320	1.8
72.08167	2.5
73.02916	3.6
75.66193	1.0
79.05470	1.2
81.02989	2.1
81.03429	25.0
81.07053	2.5
83.04994	1.6
84.04524	1.5
84.08147	5.0
84.93877	1.2
85.02901	5.3
86.09704	10.6
87.04449	2.4
93.07059	1.1
95.04991	2.1
97.02888	2.2
98.97544	2.7
98.98470	17.8
99.04466	12.9
99.53272	1.1
105.07080	1.3
107.08627	1.8
109.02839	1.3
109.06545	1.7
110.07161	1.1
111.04507	1.4
115.03987	1.4
116.07095	4.1
116.98584	1.3
117.05487	7.8
118.06561	1.3
119.08552	1.3
121.10130	2.0
122.55770	1.2
127.03972	1.8
128.98619	1.2
129.10289	3.2
133.10143	1.6
137.05966	1.2
145.07643	1.7
145.10191	1.2
147.09181	2.1
148.50401	1.0
153.28096	1.2
159.09238	4.6
163.03940	2.0
170.07118	1.4
171.09242	1.5
172.08714	26.2
173.07141	4.8
175.08746	2.8
183.09297	1.2
184.08670	2.0
185.10826	1.6
186.10352	1.3
190.09750	1.6
191.14359	2.9
197.09351	1.4
198.06610	6.4
198.10355	2.4
199.12399	2.0
200.08240	3.7
209.04523	1.3
209.10846	1.9
209.15410	4.0
214.09763	2.0
215.14201	1.3
216.07722	15.9
218.09332	3.7
219.01694	2.0
219.07660	3.1
224.11925	2.4
225.00127	1.2
229.08556	2.3
231.09676	2.2
243.08786	54.2
244.07120	1.8
252.11372	1.6
255.66656	1.1
257.10550	1.5
285.09793	1.4
297.10004	2.6
298.12164	1.3
309.87753	1.2
311.07959	1.1
316.12903	2.1
323.11490	2.5
334.09976	1.5
341.12524	10.3
359.13556	37.0
377.14700	2.7
382.38397	1.3
396.09717	8.8
397.07986	2.2
397.13849	1.2
412.56317	1.2
413.17850	1.2
414.10800	10.0
415.09723	1.3
421.09302	6.1
439.10165	100.0
440.10098	2.4
457.11224	46.2
457.17075	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	456.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08828	0.6
53.03957	1.3
55.01880	2.0
55.05525	1.3
56.96579	0.7
57.03441	2.3
57.07079	17.0
59.05006	100.0
61.02943	2.0
68.99772	1.1
69.03439	8.3
69.07070	0.6
69.43127	3.9
71.04995	1.5
73.02927	1.6
79.05492	0.6
79.76353	0.6
81.03425	5.3
81.07072	0.9
83.05008	0.7
83.08627	0.6
85.02914	21.9
87.00831	9.3
91.03960	0.9
91.05502	1.4
95.05001	0.7
95.08627	1.1
97.02894	6.7
97.06490	0.7
97.10181	1.1
99.04466	3.5
99.08126	0.7
101.02400	0.6
105.01876	7.2
107.08626	0.7
109.02880	5.7
109.10172	1.3
115.11215	32.7
117.01907	1.4
117.09137	1.0
119.08627	0.7
121.10182	0.7
127.03934	9.9
128.77982	0.6
129.01869	1.0
133.10176	0.7
134.81850	0.6
137.98897	0.5
145.04953	4.1
145.12209	0.5
159.02963	2.4
166.17081	0.5
173.15393	6.2
174.84558	0.6
191.16440	65.8
192.16829	0.5
198.62952	0.5
211.13431	0.7
229.19643	0.6
231.05150	1.6
259.09729	1.6
285.10226	0.8
299.24731	0.6
335.70248	0.6
426.33594	0.6
457.24356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.148
Annotation	HZ52
Peak:m/z	Relative Intensity
55.05513	0.4
56.96556	0.5
57.06830	0.4
57.07081	5.1
69.03418	0.7
69.66962	1.2
69.67375	0.7
70.06604	1.4
72.08161	0.3
73.02909	0.4
80.86897	0.3
83.04954	0.5
84.04483	0.5
84.08131	0.8
85.02909	1.4
85.06540	0.9
86.09707	0.9
87.81960	0.3
89.30082	0.3
93.07049	0.3
95.04980	0.4
97.02888	0.4
98.20815	0.6
98.97593	0.9
100.24739	0.3
110.07211	0.3
111.04445	0.7
127.03954	0.6
129.05490	0.5
129.10255	0.5
139.03851	0.5
145.03522	0.3
157.04987	0.5
182.00508	0.3
184.07471	0.5
216.07225	0.7
240.07123	0.4
254.08749	0.6
258.08331	0.7
259.11786	2.4
277.06418	0.4
277.12756	1.9
282.08322	0.5
282.23904	0.4
317.08514	1.4
324.10532	3.4
342.10272	2.8
358.08148	0.4
403.51147	0.3
419.48199	0.3
456.14783	100.0
457.14896	1.7
472.10886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.01873	1.6
55.05522	1.1
55.27993	0.5
56.96563	0.9
57.03449	2.5
57.07080	12.8
57.07349	1.0
59.05005	100.0
61.02925	1.8
65.96845	0.6
67.05514	1.3
68.99792	0.9
69.03433	9.4
69.07072	0.7
70.06599	0.8
71.05011	1.1
71.53629	0.6
72.55379	0.5
73.02922	1.4
79.05497	1.2
81.03426	6.5
81.07073	1.7
83.04984	1.1
84.10590	0.6
85.02909	20.5
85.06601	0.7
86.09732	0.5
87.00826	8.2
87.04474	0.6
91.03956	1.2
91.05492	0.7
93.07044	0.8
95.04964	0.8
95.08627	0.9
96.77763	0.5
97.02901	6.6
97.06546	2.0
97.10196	0.8
99.04473	3.0
99.08072	0.7
100.07642	0.8
101.09704	0.6
105.01875	7.4
105.06982	1.0
107.08659	0.8
109.02881	7.1
109.10157	0.7
115.11216	30.6
117.01870	1.3
117.09141	1.7
117.90652	0.6
119.08574	0.7
119.40063	0.6
121.10118	0.6
127.03934	10.4
127.04839	1.1
129.01843	0.6
133.10149	0.6
145.04933	3.4
159.02913	2.6
163.03917	2.0
163.12852	0.6
173.15387	5.4
189.03960	0.6
191.16434	72.9
193.12093	0.7
199.15080	0.5
215.07120	0.7
219.01724	0.7
231.04893	1.2
259.09521	1.0
267.09088	0.9
285.10046	0.7
316.15842	0.6
369.89203	0.6
420.70877	0.6
438.18280	0.9
453.15585	0.8
456.19650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2642
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
50.99459	3.2
51.33988	2.8
55.05515	20.7
57.03447	5.0
57.07088	4.9
58.24594	2.9
59.01897	3.1
59.05000	4.5
61.02938	5.7
66.22951	3.1
67.05503	25.1
69.03433	14.7
69.07062	15.3
69.39396	29.1
71.04977	5.7
71.74915	3.4
72.18671	3.0
73.02915	4.7
79.05509	16.5
81.03426	8.1
81.07063	27.5
83.04985	15.1
83.08631	6.1
83.67708	3.0
85.02903	12.3
85.06545	26.1
88.50521	4.2
89.52213	3.0
91.05479	14.0
93.07057	32.6
94.77372	3.9
94.78047	3.2
95.04962	11.2
95.08610	22.2
95.32905	3.5
97.02882	4.3
97.06553	7.2
97.10157	4.6
98.97560	5.1
99.08088	5.4
105.07040	21.0
107.04929	5.6
107.08615	32.5
109.02873	3.9
109.06525	6.0
109.10147	25.0
111.08088	18.3
113.09637	7.4
117.07012	6.5
119.08603	24.7
121.06547	13.3
121.10150	54.6
123.04448	15.2
123.08103	5.4
123.11742	9.6
125.09650	18.6
127.03949	7.0
131.08571	12.0
133.10095	19.3
135.08064	10.7
135.11710	15.5
135.12750	3.1
137.09654	19.5
139.11195	5.2
143.08444	3.6
145.10112	21.6
147.08081	3.8
147.11690	11.6
149.09666	20.9
149.13246	5.6
151.11162	4.8
153.09142	21.5
157.10187	6.2
159.11722	11.2
161.09688	5.1
163.11188	11.8
167.10616	7.7
171.11652	4.4
173.09689	3.9
173.13286	18.7
177.12723	3.5
179.10719	9.0
182.90817	3.4
185.13222	3.3
187.14783	15.9
189.12694	5.3
191.14349	10.0
199.14809	6.0
201.12823	8.7
207.13837	3.9
209.13365	4.5
213.19992	3.3
215.14352	5.0
217.15929	4.6
219.13780	8.1
229.19453	4.9
247.20557	6.6
257.19055	17.2
267.08868	5.8
275.20081	98.8
293.21124	100.0
307.48633	4.2
335.52457	4.4
455.19431	6.7
455.26718	18.1
484.91217	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	21.0
56.96555	8.1
57.03433	6.7
57.07079	7.6
59.05001	8.6
61.02930	9.9
67.05511	27.8
69.03436	18.6
69.07065	16.1
70.06593	5.7
71.04990	7.5
71.54111	3.9
71.54482	3.4
73.02908	4.6
79.05489	17.4
81.03422	12.3
81.07060	38.7
83.04969	16.7
83.08612	13.0
85.02901	28.7
85.06540	23.7
86.09711	4.0
91.03940	5.0
91.05482	19.1
93.07044	31.5
95.04980	8.8
95.08601	19.9
97.02895	15.4
97.06533	11.3
97.10172	8.3
98.97578	5.2
99.08092	5.9
100.11262	3.6
105.07013	22.6
107.04897	3.6
107.08585	32.3
109.02910	5.1
109.06527	7.3
109.10172	20.7
111.04432	5.2
111.08080	33.8
113.09662	3.2
116.88564	3.2
117.07032	6.2
119.08575	33.2
121.06493	8.5
121.10143	45.5
123.04445	11.6
123.08055	5.6
123.11708	26.3
125.09636	28.6
127.03929	7.0
127.07562	3.0
131.08565	16.3
133.10130	24.1
135.08057	12.1
135.11673	14.3
137.09610	10.0
139.07570	4.0
139.11191	9.3
141.06984	3.6
143.08559	5.8
145.10129	20.0
147.11702	16.3
149.09627	22.1
149.13258	5.7
151.07538	3.5
153.09113	45.2
156.43265	3.5
157.10117	9.6
158.10913	5.6
159.08058	4.0
159.11725	18.4
161.09561	4.4
161.13245	3.9
163.11188	11.0
163.14853	4.7
165.09109	8.5
167.10681	5.0
171.11676	5.3
173.13248	30.2
175.11305	3.0
175.14799	7.0
179.10730	5.9
181.12233	3.7
182.10825	3.2
183.11635	5.3
185.13239	5.5
187.14899	23.6
188.15678	3.9
189.12766	6.1
189.16394	3.5
191.14325	12.5
197.13196	3.1
199.14888	6.4
201.12799	7.1
203.14291	5.0
205.15999	3.5
207.13777	7.5
211.13287	3.5
215.14343	5.2
215.17947	3.8
217.15924	6.3
219.13936	5.7
229.05074	3.4
229.19516	10.1
233.15352	7.5
241.07462	4.5
243.08862	6.5
247.20628	7.2
251.11273	8.4
257.19040	14.2
267.09076	12.9
269.12473	18.6
275.20071	100.0
283.13934	5.0
285.10135	14.4
288.65201	3.4
289.05103	7.3
293.21112	74.0
301.03348	5.6
301.09592	5.5
301.14883	9.6
324.11563	6.9
324.61572	4.4
332.11523	4.7
373.67316	3.2
455.09628	13.6
455.18542	5.7
455.26498	8.2
455.35831	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	455.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39083	1.6
56.96570	42.2
61.40186	2.1
67.05489	6.4
69.07065	3.3
69.53035	2.2
70.98138	12.1
71.53487	4.2
71.95270	3.4
79.05496	4.0
81.07057	7.5
88.99153	2.8
91.05466	5.0
93.07037	4.5
93.84623	1.9
95.04972	2.1
95.08614	4.1
98.97593	16.7
105.07047	3.7
107.08582	2.7
109.10155	5.1
116.98632	12.0
118.40685	1.8
119.08560	2.7
121.10130	3.3
127.00619	2.8
133.10161	3.6
134.99687	3.5
137.09599	2.2
140.00102	2.0
142.07800	2.3
145.10178	3.2
155.03821	4.3
161.09625	2.0
169.69672	2.3
173.04887	13.5
173.13278	2.4
191.05949	2.7
193.05377	4.8
201.16414	4.0
211.06450	16.1
213.07994	5.0
221.08632	2.6
225.07985	3.8
229.07527	21.8
231.08998	2.7
243.09073	86.8
247.08508	8.3
251.09396	3.8
261.10117	61.0
265.11154	21.5
267.12695	24.7
269.10687	2.7
282.07803	3.7
283.12155	51.2
284.11749	16.8
297.13739	41.2
301.13165	4.3
305.14148	5.9
306.13675	7.3
323.15231	2.4
331.15790	2.2
337.16980	4.0
349.16888	3.1
377.19968	2.7
455.16800	7.7
455.23105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05514	2.8
57.03442	3.7
57.06794	1.2
57.07078	24.7
62.06094	27.9
62.15631	0.7
67.05508	5.0
69.07083	3.8
69.80509	3.3
71.08632	16.2
81.07072	6.5
83.08628	5.4
85.10187	9.1
89.06033	0.8
93.07058	0.8
95.08614	9.2
97.10191	2.4
98.98454	5.3
100.06955	0.7
109.10173	4.3
123.11748	1.6
124.01582	0.8
137.13220	0.9
142.02664	1.1
150.76691	0.7
155.01059	5.4
183.65770	0.8
198.05298	1.6
213.64900	0.7
216.06348	2.1
239.23772	2.0
248.63930	0.7
275.21527	0.7
277.47751	0.9
282.27927	77.6
283.28381	1.4
290.97253	0.8
313.27380	100.0
314.27576	1.3
349.15707	1.0
393.23999	7.8
394.66180	0.8
424.00906	0.9
436.28262	4.9
454.29114	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30593	0.2
52.22007	0.2
71.52759	0.2
94.92982	0.2
98.97598	0.2
112.89607	83.4
114.89342	5.9
116.89100	0.3
178.36755	0.1
202.89079	0.7
226.87132	0.1
248.89699	0.2
275.06042	0.4
284.83713	0.3
289.41855	0.2
293.06201	0.2
304.79514	0.2
306.79227	0.5
324.85239	0.4
344.73105	0.5
344.85739	0.7
348.45703	0.2
352.96045	0.4
381.07846	0.8
394.82156	0.3
394.99954	0.2
455.11627	100.0
456.12039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67197	2.4
55.01862	5.7
55.05515	12.1
57.03441	53.4
57.07082	11.4
60.08181	5.8
61.02909	4.2
63.67942	2.4
67.05506	18.3
67.16341	2.3
69.03423	11.4
69.07072	24.1
69.43415	11.7
69.43828	4.6
70.06602	6.2
71.04979	7.4
79.05484	5.6
80.59367	2.2
81.03419	15.1
81.07065	39.6
82.07366	2.8
83.04990	19.1
83.08618	8.2
84.08149	4.8
85.02911	20.9
85.06538	3.9
86.09715	25.8
87.00826	12.3
93.07068	6.0
95.04972	8.2
95.08601	5.7
97.02909	12.2
97.06506	5.0
99.04455	4.6
99.08105	37.8
104.10738	6.2
105.01871	11.9
105.07100	2.6
107.08602	4.2
109.02888	8.2
109.06494	2.7
109.10164	54.5
111.08042	2.6
120.08127	3.2
121.06543	2.6
124.99982	11.4
127.03947	12.3
127.11206	87.2
127.12148	4.2
135.03021	6.7
136.06195	2.7
137.06070	2.3
145.04977	6.7
146.06020	8.7
149.09596	3.1
151.11195	9.7
152.04463	5.3
152.05688	100.0
153.04138	4.4
153.12749	57.6
155.14326	36.4
159.02901	5.8
169.12228	9.5
170.12668	4.7
171.12393	5.5
171.13815	96.0
174.05565	8.5
175.98378	2.6
184.07372	62.5
199.08037	2.8
205.12386	2.2
231.05026	4.2
235.13303	2.9
267.15698	2.7
275.07611	4.6
284.04233	2.7
289.89240	2.3
292.06763	2.3
315.37567	3.0
318.09607	2.8
332.34949	2.9
357.15445	3.4
375.16360	3.6
380.94098	3.1
381.62933	2.9
436.21799	7.5
454.22226	15.1
455.23163	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	454.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68902	2.3
53.03936	6.8
55.01865	7.9
55.05514	36.5
56.05836	4.3
56.96554	3.0
57.03425	9.2
57.07069	4.2
61.02917	6.4
67.05508	12.4
68.99779	2.5
69.03426	27.6
69.07056	7.5
70.06564	2.6
71.04994	18.6
71.08615	22.9
73.02911	8.0
79.05479	5.2
81.03419	24.7
81.07070	11.8
82.06583	7.4
83.04990	5.8
83.08614	24.5
84.04504	4.4
85.02908	72.5
85.06570	4.6
86.09731	4.9
87.00842	26.4
91.03909	2.5
91.05466	2.3
93.07031	4.6
95.04961	3.5
95.08614	3.6
97.02898	33.5
97.06523	7.2
98.06876	3.0
98.09689	3.1
98.97593	3.9
99.04441	12.6
99.08093	24.6
100.07616	7.1
100.11262	83.6
101.11601	11.9
105.01874	35.2
105.07029	4.4
107.08603	4.3
109.02878	27.1
109.10159	35.5
110.05994	4.6
111.04443	14.7
117.01857	2.8
117.13937	4.1
119.08589	3.3
121.10146	2.4
126.09171	3.1
127.03928	50.2
127.08545	2.2
127.11140	12.3
128.07079	5.6
135.11650	3.2
137.05945	2.7
139.08649	2.3
140.07111	4.2
145.04980	23.9
145.12239	100.0
153.12779	5.1
159.02884	10.3
161.02397	3.0
161.05786	2.2
162.59157	2.2
163.03903	3.5
164.04286	4.2
171.13806	18.7
171.39348	2.3
182.15421	28.8
183.15692	7.6
184.07294	7.8
189.14870	33.1
199.18094	5.3
209.16547	16.5
210.14923	36.7
210.16747	4.8
211.13284	3.5
211.15215	11.3
213.03986	4.9
213.67963	2.8
226.19087	6.6
227.17511	6.9
231.05000	15.7
249.05995	2.5
259.09628	4.5
260.09988	3.2
261.10287	3.3
277.22903	8.5
327.28366	4.0
340.26218	4.7
340.76093	5.4
343.30652	7.2
344.30740	3.7
357.15204	5.7
371.31973	2.5
375.16534	3.9
381.31195	2.8
383.16599	2.6
390.31381	22.7
390.81488	7.1
401.17871	2.4
412.77203	2.3
436.33456	4.8
444.84039	15.5
445.34161	7.6
453.35544	5.1
453.84488	27.8
454.16934	18.9
454.34586	22.3
455.22424	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	452.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05032	0.7
58.06608	0.9
58.47592	0.3
60.08168	12.3
67.05504	0.5
69.07092	0.5
71.07370	3.5
71.13837	0.4
71.14189	0.4
78.03890	0.3
81.07061	0.4
86.09708	25.2
98.98466	2.9
104.10746	100.0
105.11096	0.4
125.00007	20.6
156.70927	0.3
166.99962	0.3
183.59283	0.3
184.07350	22.7
184.45839	0.4
206.44211	0.3
434.27228	0.4
452.35004	26.7
453.34961	0.3
454.79230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.5
53.03944	0.5
54.97675	0.5
55.01873	0.6
55.05516	13.2
57.03445	6.2
57.07077	5.5
59.05016	0.5
61.63887	0.5
62.06084	0.7
62.31007	0.6
67.05511	11.4
69.07073	17.7
71.04961	0.6
71.08633	3.4
71.54848	0.8
72.37766	0.4
79.05494	5.3
81.07061	13.0
83.04996	1.0
83.08154	0.8
83.08622	11.3
85.06552	0.8
85.10185	0.8
91.05474	1.2
93.07042	7.3
95.08607	10.5
97.06515	2.5
97.10184	6.7
98.06039	0.5
99.08106	0.5
100.64043	0.5
105.07035	1.1
107.08597	4.5
109.10153	3.9
111.08097	1.0
111.11702	1.8
119.08597	1.0
121.10155	5.8
123.11695	1.7
124.85181	0.4
125.09637	1.4
126.11670	0.5
126.67033	0.5
127.11180	0.5
133.10059	0.5
134.40079	0.5
135.11688	4.7
137.13254	1.7
139.02251	0.5
139.11186	0.8
140.40103	0.4
145.81902	0.5
149.13260	2.0
153.12811	0.6
153.22154	0.5
163.14825	0.8
184.07298	0.7
189.11296	0.8
215.14330	0.5
219.21121	1.0
237.22144	1.2
244.90225	0.5
280.26474	3.5
311.25818	100.0
312.26202	0.9
312.75711	0.5
347.96838	0.5
387.70142	0.6
399.25464	1.1
449.35751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01868	5.9
55.05508	4.4
56.96553	2.1
57.03431	3.8
57.07085	1.3
59.05006	6.2
61.02930	11.4
61.05627	1.1
63.03362	1.8
67.05506	13.1
69.03139	1.4
69.03441	16.0
69.07064	5.2
70.06577	8.0
71.04996	20.4
71.53182	1.3
72.08160	2.7
73.02909	5.5
79.05484	7.8
81.03417	9.9
81.07061	20.3
83.04980	3.1
83.08608	2.7
85.02911	35.1
85.06544	22.5
86.03245	1.4
86.09715	3.1
87.00828	8.0
87.03342	1.8
87.04473	4.4
91.04002	6.2
91.05474	11.7
92.04294	2.0
93.07047	33.6
95.04977	5.7
95.08604	5.5
96.05309	1.5
97.02890	14.9
97.06531	11.3
98.03235	2.0
98.06870	2.6
98.97589	2.9
99.04459	4.2
100.11233	1.4
105.01855	10.8
105.07038	16.6
107.05000	2.2
107.08608	14.1
109.02859	9.1
109.06520	5.0
109.10159	18.2
111.04470	1.4
111.08080	22.4
111.08791	2.2
113.06045	1.8
119.08578	1.8
121.02861	3.9
121.10127	3.1
122.03250	2.0
123.11705	12.2
125.09626	1.7
127.03911	19.6
127.11231	1.4
131.08623	1.5
133.10138	40.4
135.11752	2.0
137.02307	1.5
145.04980	6.3
145.10109	1.8
151.11183	46.3
153.01822	6.4
154.02162	3.1
155.02391	1.4
156.02603	1.6
159.02890	3.6
161.05869	3.1
162.06310	2.1
163.03888	6.7
163.11166	1.7
164.04320	2.6
167.08620	2.0
168.08943	2.0
169.07619	3.9
169.12241	55.1
173.02348	1.6
187.13298	100.0
189.09157	3.4
190.09555	3.0
195.08035	2.8
195.49913	1.3
196.08336	3.5
202.05798	1.6
211.13292	1.6
213.09154	2.2
214.05843	2.5
214.09457	4.5
215.07040	5.3
216.07408	4.7
231.05035	2.3
232.10503	2.5
242.08963	2.8
253.03586	1.4
259.09714	11.8
260.09998	23.3
278.10989	1.7
283.15479	2.8
287.05521	35.6
288.05847	72.5
289.06058	53.3
290.06320	92.3
292.13248	1.7
302.11487	5.3
361.02280	4.3
409.18259	1.9
452.15524	2.9
452.19760	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	452.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88415	0.5
53.03947	2.9
55.01869	1.2
55.05513	1.4
57.03429	1.7
60.24873	0.5
61.02894	0.6
64.74070	0.5
65.03945	0.6
67.05506	1.7
69.03439	3.2
69.07054	1.3
69.92175	2.6
70.06599	0.8
71.04989	10.0
73.02939	0.9
79.05495	18.0
81.03424	6.3
81.07057	100.0
83.04987	6.3
83.08604	0.6
85.02902	7.6
85.06551	1.2
87.00826	2.4
89.06024	1.2
91.05505	0.7
93.07046	1.8
95.04979	1.5
95.08601	1.8
97.02887	3.1
97.06523	2.0
98.97572	0.7
99.04460	1.9
105.01876	2.9
105.07037	1.3
107.08582	2.4
109.02882	2.5
109.06528	1.3
109.10155	4.4
111.08079	0.6
113.06026	1.4
121.10135	1.0
123.11694	6.1
125.09599	1.5
127.03913	5.2
133.10117	1.4
139.11182	2.1
143.10670	2.1
145.04962	2.3
151.11189	7.1
157.12195	1.0
159.02853	1.9
169.12241	94.8
170.12593	0.8
173.02234	0.5
175.11226	0.6
187.13292	11.2
200.04578	0.9
207.94058	0.6
215.07074	1.5
216.07341	1.9
231.05008	1.5
259.09647	1.9
260.09943	3.6
267.15887	4.7
435.23996	0.6
452.21054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60241	1.1
52.12794	1.3
54.21117	1.1
55.01859	1.5
55.20374	1.3
55.29553	1.1
57.03440	5.7
57.83743	1.2
59.57624	1.2
61.02929	10.4
63.68199	1.1
67.05504	3.1
69.03434	13.2
69.07048	1.1
70.06590	2.5
71.01354	1.7
71.04207	2.5
72.08144	1.4
73.02921	62.9
74.41687	1.2
74.49052	1.0
79.05484	3.3
81.03428	6.1
81.07075	2.9
84.08136	1.5
85.02908	86.2
86.02413	1.4
87.04436	1.7
91.03982	1.2
95.04977	4.2
96.04508	2.1
97.02297	2.0
97.02895	30.7
97.06533	1.2
98.97597	1.8
99.04408	2.7
103.03933	3.7
103.64970	1.1
108.08138	5.4
109.02900	10.5
115.03931	6.9
121.06513	1.4
122.06039	3.4
125.05988	4.3
125.08866	1.2
126.05505	5.4
126.09152	2.6
127.03919	21.5
133.04973	2.4
136.07561	11.7
140.07074	70.2
145.04970	37.2
150.07631	3.7
150.09142	3.8
152.07050	11.0
154.08618	4.5
161.04466	1.4
163.06027	26.0
164.07085	18.1
178.08629	14.8
182.08128	100.0
206.08131	47.1
206.10094	2.0
218.08160	4.6
236.09177	5.5
248.09227	12.0
259.09424	1.3
265.35373	1.1
266.10187	4.7
284.11304	14.3
289.06100	1.2
302.12341	45.9
407.68173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83570	0.6
55.01865	1.7
55.05510	1.0
57.03433	0.9
60.51479	0.5
67.05497	2.0
69.07073	6.5
70.14258	1.7
70.73296	0.4
79.05495	8.0
83.04985	0.7
89.03904	1.5
95.04942	0.7
97.06535	62.5
98.21501	0.6
99.13165	0.5
101.22919	0.5
107.04948	0.8
111.04444	0.6
117.03388	2.4
133.02867	1.2
134.03682	0.5
135.03554	0.5
135.04379	3.3
135.93112	0.5
141.06969	0.7
145.02859	4.4
147.04349	0.6
159.04437	4.4
161.02347	13.9
163.03912	28.3
173.02351	25.0
185.05954	1.6
187.07484	0.6
191.03453	0.9
197.06058	0.8
215.07036	34.9
241.08621	1.0
259.09668	100.0
260.10046	1.7
308.46896	0.5
433.15302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04700	0.8
52.02052	0.8
70.23424	3.4
70.54264	0.7
74.09715	1.8
91.54076	0.9
103.02432	0.9
104.10763	0.9
118.08681	1.1
125.07120	1.0
133.03476	5.7
136.06178	0.9
143.08144	1.2
151.04507	1.2
158.06642	3.0
159.06790	1.2
175.04553	2.1
176.07727	5.7
177.07863	5.5
184.06357	1.3
187.04611	0.9
201.06082	1.2
211.04530	1.1
213.00247	1.0
217.05507	2.3
250.35153	0.8
257.14941	1.0
271.04398	2.2
271.08472	1.1
277.13229	2.6
289.17566	1.7
295.08789	3.5
297.06384	1.3
298.74350	0.9
314.07141	1.6
315.07306	6.0
333.08517	2.0
420.25800	1.1
439.43698	0.9
451.04858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.56433	1.0
56.96540	1.9
57.03424	1.3
65.92255	1.1
67.87761	1.2
69.03419	2.8
70.06596	1.2
71.51920	1.1
84.04462	1.5
85.02924	6.8
97.02866	3.4
98.97587	1.3
101.00892	1.9
108.11877	1.2
115.02426	2.3
119.01902	4.0
121.02810	1.4
125.00928	1.1
127.03918	3.3
131.00124	1.4
131.01883	1.8
133.03468	15.8
135.03261	1.2
143.01944	2.6
143.08345	1.2
145.03415	3.4
145.04930	2.0
151.04498	4.1
155.01868	2.4
156.97562	1.5
159.05017	2.9
161.02980	4.2
161.05583	1.5
163.03908	2.7
169.03496	1.8
171.05009	1.5
173.02921	1.8
175.04572	5.7
177.06053	2.4
181.01826	1.3
183.04843	1.1
185.03006	2.3
187.04561	3.5
189.06133	1.4
194.99133	1.5
198.98573	3.5
201.06145	4.1
202.95078	4.4
211.04584	5.1
213.00114	5.4
213.02211	2.0
215.03882	1.9
217.03731	1.3
217.05617	3.8
219.07133	5.6
220.07149	1.2
221.05006	1.4
227.01799	2.0
231.01184	2.1
231.07040	1.3
233.08817	1.4
234.09621	1.2
242.08218	3.2
245.05075	3.8
247.08611	2.1
251.08781	2.0
257.02710	6.2
264.07813	1.6
271.04233	9.7
277.07742	3.6
289.07690	1.5
295.08829	10.2
315.03214	5.0
321.10294	3.9
333.06686	1.8
353.07681	2.6
382.25757	1.3
433.08124	1.6
451.04831	100.0
451.09552	3.6
457.20935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.1
57.03442	8.7
57.07063	3.3
65.03938	1.5
67.05508	36.2
69.06725	1.7
69.07070	17.2
70.82247	2.4
71.08614	1.2
79.05492	11.4
81.07064	36.9
83.04929	1.3
83.08614	8.7
83.60661	1.2
85.06536	1.5
85.99020	1.2
89.03803	1.2
91.05466	6.6
93.07061	8.2
95.08613	28.5
97.06516	2.8
97.10163	4.1
105.07022	4.4
105.71033	1.2
107.08588	5.5
109.06501	1.8
109.10156	12.3
113.00025	61.7
119.08580	5.1
121.10139	3.8
123.08007	1.3
123.11706	4.0
133.10115	2.8
135.11642	2.0
137.13359	1.8
147.11694	2.8
161.13263	2.6
163.14836	1.6
169.01254	2.3
169.02625	30.9
187.03690	4.5
208.85965	1.2
245.22621	2.0
263.23734	5.1
330.04120	1.3
337.27380	100.0
338.27441	1.9
346.78488	1.3
349.19785	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01880	0.1
55.05510	0.2
56.05038	0.5
57.03435	0.4
57.22102	0.1
58.06632	0.4
59.07395	0.1
60.08166	6.0
61.02924	0.4
67.05499	0.3
69.03425	0.2
69.07083	0.2
69.63412	0.3
69.63824	0.3
70.06589	0.3
71.07379	2.9
71.57640	0.1
79.05495	0.4
79.22008	0.1
81.03419	2.1
81.07067	0.4
82.03727	0.1
82.31667	0.1
83.04987	0.2
83.08624	0.3
84.08145	0.2
85.02937	0.6
86.03259	0.1
86.09708	29.0
87.10063	0.2
91.03948	0.2
91.05496	0.5
93.07054	0.3
95.04965	0.6
95.08585	0.1
96.57281	0.1
97.02927	0.2
97.06546	0.2
98.21496	0.1
98.98466	2.6
102.24509	0.1
104.10750	3.0
105.07027	0.4
107.04963	0.2
107.08568	0.2
117.07052	0.1
119.08601	0.4
120.08137	0.2
121.02937	0.1
121.10139	0.1
123.08067	0.2
125.00008	21.3
127.03931	0.2
129.06964	0.2
131.08569	0.2
133.10129	0.2
137.05988	0.1
143.01088	0.1
147.04356	0.1
147.11719	0.2
149.09662	0.2
153.01874	0.2
154.02097	0.1
157.10201	0.2
163.03917	0.1
167.10664	0.2
175.11176	0.2
184.07344	100.0
185.07684	0.4
185.11662	0.2
193.12213	0.3
215.07068	0.3
237.14494	0.1
246.14957	0.4
259.09793	0.5
267.15918	0.8
287.05475	2.1
288.05838	4.9
336.69666	0.1
345.04001	0.1
432.21515	1.0
450.16653	0.2
450.22568	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.0
56.96558	8.5
57.03439	15.5
61.02921	3.7
65.03886	3.4
66.66599	3.5
67.05508	40.1
69.03424	4.9
69.07067	13.9
71.04988	19.7
71.08640	28.4
71.54443	4.0
73.02920	3.8
79.05501	35.7
81.03416	5.5
81.07069	41.9
83.05000	7.1
83.08629	6.8
85.02908	16.9
91.05487	21.5
93.07058	44.4
95.04972	10.5
95.08602	23.0
97.06535	9.7
97.10130	6.5
98.98470	16.0
99.08107	19.6
105.07035	19.8
107.04991	6.5
107.08574	26.1
109.06480	4.5
109.10147	13.3
112.52325	3.8
117.06986	5.1
119.08581	15.3
121.10176	19.0
123.07986	6.2
129.05573	3.7
131.08524	4.9
133.10136	9.4
135.11703	15.5
137.09515	5.4
141.09114	3.4
143.08490	3.8
145.10121	7.3
147.11690	5.1
149.09680	4.0
149.13284	8.0
151.11223	13.0
153.01910	3.8
159.11688	5.3
161.13289	7.1
163.11232	10.2
169.10187	3.4
175.91449	3.6
179.14307	61.7
181.62880	3.2
195.13776	4.8
229.07376	4.2
247.08527	5.1
269.10571	6.0
277.21671	35.9
287.05536	24.0
303.04990	38.4
349.17090	4.9
351.25293	100.0
382.48376	3.5
390.69858	3.9
449.24811	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	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01869	0.3
55.05506	0.4
55.12678	0.2
57.03431	0.9
57.08509	0.2
61.02931	6.8
65.03925	0.2
67.05508	0.6
68.99783	0.7
69.03428	1.4
69.07041	0.3
69.98286	1.1
70.06573	0.2
71.04977	0.7
72.08139	0.3
73.02925	1.9
79.05480	0.4
81.03413	0.5
81.07046	0.6
83.05003	0.3
83.08589	0.2
84.08149	0.3
85.02910	6.2
86.09727	0.3
91.03419	0.3
91.03954	4.0
91.05473	0.4
93.07061	0.5
95.08588	0.9
97.02903	3.5
99.04456	0.4
101.06056	0.2
105.03401	0.4
105.07020	0.5
107.04912	0.4
107.08584	0.3
109.02866	0.5
109.10161	0.2
109.56945	0.2
111.00809	0.7
111.04430	0.2
113.09626	0.5
115.03924	0.4
119.08624	0.2
121.02867	2.7
121.10124	0.3
127.03934	1.3
131.08527	0.4
133.02853	0.6
133.10123	0.3
136.07504	0.2
137.02357	0.8
145.04959	0.6
145.06543	0.3
147.04417	0.6
149.09691	0.2
150.57401	0.2
153.01823	4.0
157.06450	0.5
164.07057	0.4
165.01846	2.2
183.02905	0.8
183.13770	0.3
185.06050	0.5
213.05452	1.0
222.06308	0.2
229.05034	0.5
231.06433	0.3
241.05006	0.9
258.05225	0.9
259.06088	0.4
269.21222	0.3
285.04022	0.3
287.05505	100.0
288.05887	1.2
289.22589	0.3
299.05429	0.9
303.05005	4.1
325.06943	0.3
329.06564	0.8
339.08563	0.3
353.06638	0.5
383.08078	0.3
431.09464	0.3
449.10809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03431	0.4
61.02928	6.3
69.03410	1.2
69.86974	0.3
70.69289	0.3
70.69638	1.0
73.02928	1.7
78.18632	0.3
81.03396	0.5
85.02905	6.3
91.03957	4.1
97.02907	2.3
99.04459	0.4
101.31339	0.3
105.03414	0.4
107.36622	0.3
109.02894	0.7
111.00810	0.7
121.02879	2.5
127.03911	0.9
130.75027	0.4
133.02856	0.5
137.02292	0.9
147.04424	0.8
153.01843	4.9
157.06490	0.6
161.05957	0.3
165.01848	2.1
183.02917	0.7
185.05995	0.8
213.05423	1.4
217.67528	0.3
231.06540	0.6
231.84396	0.3
241.04912	1.0
258.05222	1.2
259.06094	0.5
287.05508	100.0
288.05765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03434	3.2
69.69473	2.4
71.04998	26.8
74.21689	0.4
76.94422	0.5
83.04970	0.9
85.02911	25.2
85.16546	0.4
111.00751	0.5
111.04493	0.5
121.02835	0.9
129.05481	7.8
137.02361	1.7
141.35880	0.4
142.63602	0.4
147.06549	1.3
153.01848	2.5
165.01868	1.4
183.02975	0.7
201.05476	1.1
229.04962	3.2
257.04474	1.9
285.03824	0.7
287.05524	1.9
303.05005	100.0
304.05377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01862	0.2
57.03437	0.5
57.13643	0.1
60.08154	0.1
61.02926	6.3
62.04566	0.1
62.51224	0.1
63.07087	0.1
67.05497	0.1
68.99789	0.7
69.03080	0.1
69.03426	1.2
70.79032	0.2
71.01361	0.1
71.05011	0.1
73.02917	1.6
79.05476	0.2
81.03418	0.5
81.07056	0.1
83.01353	0.1
85.02905	5.5
86.09709	0.7
87.04465	0.2
91.03957	3.6
95.04948	0.2
97.02892	3.2
97.06506	0.1
98.64054	0.1
99.04452	0.4
101.02373	0.1
103.05489	0.1
105.03389	0.4
107.04958	0.3
107.08674	0.1
109.02882	0.5
111.00817	0.8
111.04424	0.1
115.03905	0.2
115.05418	0.1
115.24032	0.1
117.05450	0.1
121.02869	3.3
125.00031	0.5
127.03912	1.0
129.07016	0.1
133.02849	0.5
135.04462	0.1
137.02345	1.1
141.07019	0.2
145.04945	0.7
145.06438	0.2
147.04407	0.7
153.01830	4.3
157.06502	0.5
161.05983	0.1
165.00552	0.1
165.01839	1.9
169.06650	0.1
171.04434	0.2
175.03990	0.1
175.63271	0.1
183.02907	0.9
184.07343	1.9
184.31383	0.1
185.05974	0.4
189.05458	0.2
191.03297	0.1
197.06024	0.2
203.07069	0.2
211.07460	0.1
213.05472	1.6
229.04967	0.1
229.08701	0.1
231.06511	0.8
241.04945	1.0
243.06516	0.1
245.04399	0.1
257.04495	0.1
258.05246	1.1
259.05951	0.4
269.04495	0.2
286.04517	0.1
287.05493	100.0
288.05829	1.6
288.08875	0.1
299.05563	0.5
299.65213	0.1
325.07004	0.1
329.06577	0.5
339.08670	0.1
353.06686	0.3
372.53271	0.1
395.07645	0.1
413.09164	0.1
431.09692	0.2
449.10492	0.2
449.19916	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59256	0.5
55.05505	1.4
56.96557	0.8
57.03401	0.6
57.06834	0.6
57.07078	5.5
58.06580	1.6
58.20454	0.5
67.05473	2.0
67.31995	0.5
68.05006	0.7
69.03441	0.5
69.07058	1.0
69.93756	2.2
70.06598	15.7
71.04965	0.5
71.08639	3.0
72.08130	0.6
74.89502	0.5
79.05481	0.9
81.07050	1.5
81.50256	0.6
81.65673	0.5
83.08626	0.7
84.08121	0.6
85.02907	1.0
85.10142	0.6
88.07639	18.9
91.05471	2.2
93.07024	0.7
94.89229	0.5
95.08607	0.8
97.10164	0.5
102.09186	13.5
104.02609	1.0
107.08591	0.5
109.10146	1.0
118.04131	0.8
119.04939	2.2
132.02089	6.3
136.01575	4.6
139.78139	0.5
147.04416	22.8
148.05190	2.2
149.02322	1.6
173.11682	1.0
175.03922	38.3
176.04660	2.3
180.04182	7.8
191.07072	1.6
193.04990	0.7
204.79263	0.5
219.06543	74.3
226.90739	0.5
248.84819	0.4
256.26361	43.8
257.26779	0.7
287.05649	0.8
367.17947	1.0
384.15753	0.6
448.30615	100.0
449.31073	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33397	0.5
53.68225	0.5
56.96558	1.0
59.04996	0.8
60.04538	0.7
69.03444	0.7
70.06560	0.9
71.53252	0.8
72.08153	2.0
74.06056	0.9
79.05482	0.6
84.08144	1.6
85.02905	1.1
86.09702	2.2
91.05444	0.6
93.07020	0.6
97.02900	0.7
98.09692	0.5
98.97605	1.1
103.05469	7.2
106.05058	0.6
107.04948	1.6
114.06678	0.5
120.08109	100.0
120.37851	0.5
121.02897	0.6
121.08576	2.7
127.03937	0.5
129.10197	0.6
131.04935	2.5
136.06166	3.6
140.06892	0.7
149.06012	2.2
159.66940	0.6
163.03923	1.4
166.08650	54.4
167.08945	0.5
188.65601	0.5
219.01855	0.5
230.11259	0.6
237.02861	0.6
243.91928	0.5
259.11938	1.5
268.10361	1.1
302.12451	0.6
304.94916	0.5
448.18649	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01870	3.5
55.05498	4.9
56.96552	1.7
57.03432	2.3
61.02912	1.5
67.05508	6.1
68.99778	1.3
69.03434	11.3
69.07063	5.1
70.06590	3.4
71.04999	26.1
71.24340	1.9
73.02923	2.6
76.79531	1.2
79.05508	9.5
80.15703	1.2
81.03419	8.8
81.07058	14.5
83.04990	10.5
83.08630	1.5
85.02911	12.1
85.06545	5.7
86.09704	4.4
87.00838	1.4
87.04450	1.2
91.05492	11.5
93.07043	12.6
95.04977	8.0
95.08595	4.6
97.02909	8.4
97.06516	6.8
98.63132	1.3
98.97600	1.4
99.04462	61.0
103.03881	1.4
103.05436	2.8
105.07038	85.6
107.04943	3.5
107.08607	11.6
109.02877	4.3
109.06524	5.3
109.10147	2.8
111.04417	1.4
111.08070	3.9
112.99208	1.5
117.07046	3.1
119.04934	2.0
119.08574	10.2
121.06510	9.9
121.10143	4.4
123.04357	1.8
123.08060	4.7
123.11711	3.1
125.05983	4.6
127.03902	4.8
127.07555	1.9
128.06219	2.3
129.05458	1.7
129.07019	2.4
131.08582	6.6
133.06508	14.0
133.10141	59.6
135.04372	1.4
135.08026	1.6
135.11679	3.0
137.06012	5.0
139.26556	1.3
143.07053	3.5
143.08565	8.6
144.13835	3.8
145.06490	2.7
145.10124	11.6
146.07256	3.3
147.08046	2.7
147.11688	4.5
149.09621	2.4
151.07538	3.4
151.11180	3.2
153.01797	1.4
155.08600	1.8
157.10112	2.1
159.08063	3.1
159.11687	3.9
161.09624	100.0
163.11185	31.6
165.12773	2.6
173.09612	5.8
175.11211	2.3
179.10683	36.3
180.99194	1.2
182.09665	7.6
183.13820	1.7
185.09711	2.9
187.11156	6.8
189.09103	16.4
191.10674	3.7
192.30907	1.3
200.10843	2.7
203.10652	2.6
205.12271	3.9
207.10146	22.6
209.11707	4.1
215.10701	4.0
225.11252	26.5
231.10176	3.0
233.11769	3.4
239.88423	1.6
249.11151	2.5
251.12793	4.8
251.16409	1.5
269.13901	6.4
287.05515	16.5
297.11163	1.5
303.04977	11.1
304.05307	1.3
315.11508	1.6
323.14941	1.5
333.13257	3.2
351.14301	6.0
359.14716	1.5
369.15497	8.6
377.15881	6.6
395.16919	3.0
413.18027	3.6
430.19421	1.6
448.36237	2.1
449.14304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41361	0.5
56.05023	1.1
57.90556	0.4
58.04327	0.5
60.05651	1.0
67.62229	0.4
69.03412	0.5
69.59762	1.2
69.60168	2.6
70.06566	1.4
72.08134	1.8
77.30531	0.5
79.05465	0.7
83.06080	1.4
84.04469	0.8
84.08131	0.6
85.02874	0.8
86.09693	1.7
98.07153	0.5
98.97576	0.7
99.36985	0.5
102.05523	0.5
104.78137	0.5
105.03359	2.2
105.05793	1.0
106.06566	0.9
111.05572	4.1
113.07135	0.6
120.04476	11.6
123.05564	0.6
123.72427	0.5
126.06647	7.5
127.07396	0.7
131.01724	0.5
132.04460	16.9
133.05151	0.6
134.06027	6.5
137.04660	1.1
140.08131	0.6
145.04015	0.7
146.02376	0.7
149.07138	0.5
151.06154	7.6
158.06001	0.8
161.07133	0.5
163.03777	0.6
168.08783	2.3
179.03481	1.0
202.09763	11.2
212.69833	0.5
216.11412	2.4
225.03114	0.5
230.09293	8.3
231.12299	0.9
232.10854	3.0
242.09268	3.3
257.10364	4.6
259.11920	69.0
260.12335	0.9
277.13110	1.4
284.11383	5.8
287.05295	0.5
301.14044	6.0
302.12500	27.6
303.12619	0.6
319.15152	2.2
360.16776	0.7
362.18295	0.8
373.96759	0.5
376.29398	0.6
406.17203	11.2
430.18390	0.7
431.16803	0.8
448.19424	100.0
449.19806	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01883	5.0
55.05518	10.5
55.30795	3.0
56.96564	3.3
57.03441	3.6
59.04996	3.3
67.05500	19.0
69.03421	19.8
69.07072	21.8
69.40739	14.5
69.41163	9.9
70.06607	3.7
71.04996	21.1
72.08166	4.3
73.02931	8.0
79.05502	24.5
81.03421	16.7
81.07059	36.0
83.04981	76.7
84.08163	4.6
85.02900	23.9
85.06537	10.1
86.09705	6.9
90.69823	2.9
91.05474	23.2
93.07044	34.6
95.04971	25.7
95.08625	13.4
97.02899	11.2
97.06538	48.2
98.97601	5.3
99.04440	15.2
105.07040	55.9
107.04965	7.4
107.08620	29.9
109.02888	9.0
109.06521	32.6
109.10166	5.4
111.04436	6.4
111.08112	4.3
117.07059	12.5
119.04972	5.9
119.08562	18.2
121.06503	26.6
121.10150	17.7
123.04459	7.0
123.08080	4.8
125.05990	80.7
127.03951	7.1
127.07609	11.1
130.07835	4.6
131.08597	23.7
133.06493	9.8
133.10144	12.8
135.08089	7.3
135.11729	12.5
137.06004	14.6
139.07510	4.9
141.07065	3.2
143.07047	68.1
143.08574	10.9
144.09377	5.4
145.06512	6.6
145.10123	100.0
147.08101	3.3
147.11716	8.8
149.09703	3.8
151.07599	12.4
154.07823	3.8
155.08595	5.6
157.10159	6.3
158.07281	7.2
159.08099	9.2
159.11699	39.7
161.09718	3.9
161.13260	3.5
163.11176	37.4
165.12793	4.9
169.10153	13.0
173.09630	54.3
177.12793	7.3
181.12265	17.1
187.11171	67.9
191.10661	38.3
191.12085	3.2
197.09612	7.2
205.12257	54.6
209.11732	28.2
215.10684	65.7
221.49542	3.9
223.13515	4.8
233.11734	72.2
251.12790	61.6
251.16507	5.5
257.11960	3.9
269.13843	22.2
274.73492	3.2
280.37213	3.8
287.05508	44.2
303.04974	31.3
304.05444	11.3
343.01218	4.1
343.05331	3.5
359.14651	6.7
361.02252	18.8
377.16006	28.6
379.03159	6.8
395.17096	20.6
413.18021	44.2
435.45572	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	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05516	8.9
57.03439	10.7
57.07066	2.9
58.73108	1.2
60.82133	1.2
65.03928	2.0
67.05511	41.1
69.03418	1.4
69.07082	9.8
69.84982	5.4
71.04980	2.2
79.05496	29.5
81.03415	4.2
81.07061	45.2
83.04963	2.7
83.08611	6.0
83.58138	1.2
85.02905	3.6
85.06554	1.8
85.10213	1.8
86.01643	1.1
90.49032	1.2
91.05476	15.9
93.06485	2.1
93.07056	31.5
95.04990	2.6
95.08614	35.3
97.06540	2.9
97.10188	3.7
98.20859	2.5
99.08145	1.2
105.07041	12.2
107.08601	20.5
108.71576	1.4
109.06529	2.5
109.10171	15.6
112.57655	1.3
113.00027	52.0
113.09690	1.3
117.07021	6.9
119.08575	9.7
121.06564	1.5
121.10152	15.9
123.11703	4.9
125.09599	1.6
127.04005	1.5
129.06996	1.6
131.08553	9.5
133.10161	6.3
135.08109	1.6
135.11685	10.7
137.13240	1.9
145.10127	6.5
147.11678	5.1
149.02347	3.6
149.09554	1.7
149.13306	5.9
157.10237	1.4
159.11684	4.8
161.13318	4.5
163.14810	3.9
169.02634	16.9
173.13277	4.3
175.14880	2.6
177.12743	1.2
177.16371	2.4
185.84897	1.2
187.03685	4.7
187.14813	2.4
193.05121	1.4
193.12276	1.6
233.22707	1.8
235.13123	2.4
243.21069	12.9
247.08647	1.7
261.22119	19.7
277.21710	1.6
279.23349	1.7
285.09927	1.7
317.24713	5.5
335.25818	100.0
352.49329	1.3
367.17896	2.9
447.27347	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	447.3835
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
50.97022	3.3
53.75076	3.3
55.05512	36.4
57.07076	75.2
61.37767	3.2
61.78024	3.0
69.07072	100.0
69.86470	15.0
71.08634	56.8
79.05498	3.8
81.07063	14.9
83.08624	62.8
85.10185	28.6
89.37506	3.3
90.14165	3.3
93.07037	6.4
95.08593	6.8
97.10177	54.4
98.20837	5.4
99.11749	6.5
105.07036	3.7
107.08596	5.4
109.10168	7.1
111.11723	49.2
113.13305	4.1
121.06506	4.4
121.10130	5.2
125.13259	13.9
135.08014	7.9
137.09656	8.0
139.07544	22.9
139.14803	4.9
149.02356	39.5
149.09627	9.2
151.07550	14.5
153.09116	16.5
165.09119	59.6
166.06207	4.0
167.03429	4.7
167.07079	3.5
169.08620	7.9
169.63326	3.8
176.06822	3.2
177.09097	7.3
181.08611	34.0
191.10732	10.2
205.12279	7.7
244.30052	4.0
244.79948	3.4
429.37329	21.3
447.38315	92.5
453.03500	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	447.2227
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03946	7.7
53.37639	1.3
55.01871	7.3
55.05516	16.6
57.03440	25.9
59.04998	1.5
59.94955	1.3
61.02930	66.9
65.03934	2.8
67.05180	2.2
67.05508	29.8
67.36461	1.5
67.63647	1.3
69.03436	32.8
69.07070	13.6
69.41979	4.1
69.42410	6.6
71.01348	5.9
71.05000	10.4
72.08138	1.6
73.02509	2.0
73.02918	29.4
74.83146	1.6
79.05070	2.5
79.05497	35.2
81.03421	90.1
81.07062	36.4
83.04988	27.3
83.08624	23.0
84.08149	8.8
85.02910	87.0
85.06540	2.8
86.09704	3.2
87.04459	3.1
91.03416	2.7
91.03962	37.4
91.05483	45.7
93.07045	24.9
95.04977	31.7
95.08614	15.0
97.02897	57.6
97.03530	2.9
97.06529	8.7
97.10168	4.1
98.21545	2.3
98.97598	1.8
99.04438	10.1
101.02378	12.2
102.30602	1.3
103.03926	6.9
105.07031	32.2
107.04951	11.7
107.08588	8.6
109.02898	13.9
109.06532	9.5
109.10168	3.2
111.04452	6.3
111.08101	15.6
111.82822	1.5
113.05995	2.8
115.03930	4.3
115.05408	1.7
117.07035	4.3
119.08587	27.1
121.06480	3.8
121.10165	12.9
123.08102	5.3
123.11725	2.0
125.09639	2.4
127.03926	25.8
127.07584	1.7
128.06177	1.7
129.05464	5.5
129.07001	13.5
129.55511	1.2
131.00235	2.3
131.08572	18.4
133.06506	3.3
133.10144	22.9
135.07941	1.5
135.11691	2.3
137.09644	3.7
142.07791	3.9
145.04968	7.8
145.10144	3.6
147.08070	5.2
147.11697	24.9
149.02362	2.1
149.05936	1.5
149.09619	13.6
150.02690	1.8
151.11131	1.9
157.10136	20.7
159.06444	1.7
159.11668	1.8
163.03882	2.1
163.11214	3.6
164.04312	1.9
165.12752	6.2
171.06569	3.2
175.11208	28.1
181.62738	1.5
183.06551	5.8
193.12257	92.3
199.13350	1.8
201.07646	2.1
211.13295	92.9
215.07214	1.6
229.14369	1.6
252.09412	5.8
252.59534	6.1
267.15945	22.5
275.18579	2.5
285.16977	100.0
293.19470	5.5
309.17072	3.3
313.16415	3.3
337.16635	1.6
355.17505	1.4
411.20041	4.8
429.21262	11.0
447.16214	7.5
447.22064	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	447.0925
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
53.03923	0.4
55.01846	0.8
55.05490	0.8
56.96529	0.4
57.33266	0.5
58.78892	0.4
58.87834	0.4
61.02925	2.2
66.87959	0.4
67.05483	0.8
68.99757	1.7
69.03387	1.5
69.07037	0.7
69.23804	1.1
69.24216	3.3
69.35217	0.4
79.05454	1.8
81.03374	1.8
81.07021	1.6
83.04938	1.3
83.08590	0.8
84.75504	0.4
85.02850	1.5
87.04429	0.5
91.05450	1.5
93.07052	2.1
95.04936	1.1
95.08590	0.9
97.02866	0.9
105.03360	0.6
105.06990	1.3
107.04906	1.1
107.08556	1.3
109.02842	1.4
109.06503	0.5
109.10094	0.7
111.00742	1.5
111.01466	0.5
111.04350	0.5
115.05393	0.6
119.08570	0.6
121.02830	0.5
121.10130	0.9
127.03913	0.6
130.08630	0.4
131.04854	0.7
131.08583	0.5
133.10088	0.4
133.53145	0.4
135.04404	0.5
137.02313	0.9
143.08508	0.6
145.02849	0.6
147.04359	1.2
147.11656	0.7
149.02351	0.5
153.01822	11.2
155.04855	0.5
155.08624	0.5
157.06512	0.5
157.10107	0.8
159.04411	0.8
159.11632	0.9
161.02330	1.1
163.03946	2.3
165.01790	0.9
171.04425	0.7
173.02286	0.8
173.06038	0.7
175.03874	2.3
179.08655	0.4
183.04430	0.7
185.05957	1.2
185.09267	0.5
187.03857	1.8
189.01778	1.9
189.23987	0.5
191.03331	0.8
193.12152	0.4
197.05969	0.8
197.13237	1.1
199.03839	0.6
199.07538	0.9
201.05392	1.4
203.03415	5.4
207.02882	1.2
211.04037	0.9
213.05489	2.7
215.03426	0.9
225.05545	0.5
227.03267	0.6
229.01370	0.7
229.05017	2.9
231.02896	0.5
231.06578	0.5
235.07541	0.4
239.03398	1.4
240.04362	0.5
241.04881	1.5
243.02945	2.8
245.04337	1.1
253.04948	1.2
255.02916	4.0
257.04590	2.1
258.05273	1.6
259.05988	2.0
267.06403	1.1
267.09109	1.3
268.03625	1.6
269.04471	4.1
273.03897	3.7
275.20056	1.1
277.05063	1.1
281.04428	1.4
283.02472	2.0
285.03955	4.9
285.10089	1.8
286.04724	4.8
287.05469	1.4
293.04495	0.5
294.05344	0.8
295.06036	3.2
296.03125	4.4
297.03931	12.4
298.04855	0.9
299.05298	0.6
300.02567	0.6
301.03479	5.0
303.04971	0.8
305.04388	1.0
311.01941	1.2
311.05475	1.0
313.03418	23.9
314.04205	7.1
315.05206	2.4
319.05884	1.0
322.04672	0.7
323.05475	2.5
325.03415	2.5
326.04263	1.0
327.04962	1.4
327.11206	0.8
329.02878	8.6
337.07031	0.7
339.05112	1.2
341.02921	0.8
341.06522	7.2
342.03577	0.6
343.04486	100.0
344.04895	1.6
347.05524	3.3
349.07358	0.4
349.23663	1.4
350.04172	0.9
351.04953	4.2
353.02936	2.4
355.04291	0.7
355.15479	1.3
365.06528	1.6
367.04382	1.7
369.06055	7.7
385.05530	3.7
393.06049	37.4
394.06400	1.3
411.07098	19.9
412.06555	0.5
429.08185	2.5
429.19080	0.7
447.09259	31.4
448.09573	0.8
451.21790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2618
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.05507	0.7
56.05029	0.8
56.96568	0.9
57.03426	0.5
60.04533	2.9
66.39887	0.4
67.05502	0.8
68.05051	0.5
69.03436	0.9
69.07071	3.4
70.02956	0.6
70.06596	14.6
71.53973	0.6
72.08156	6.6
73.02917	0.5
73.04736	0.6
73.08481	0.6
74.02438	1.5
74.06089	1.1
79.05482	0.6
81.03427	0.5
81.07058	0.9
84.04508	1.2
84.08158	2.3
85.02895	1.4
86.09709	100.0
87.05589	5.8
87.10064	0.6
88.04003	0.9
91.05843	0.9
91.13083	0.4
93.07069	0.5
97.02905	1.1
98.06048	0.5
98.20755	0.5
98.97572	1.0
101.07159	0.5
107.08646	0.7
110.07128	0.4
110.09686	0.5
114.05538	1.2
115.08687	1.1
116.03500	0.9
116.07092	2.3
116.98663	0.4
117.05751	0.5
120.08092	0.4
121.02905	0.6
124.07542	0.6
127.03940	1.0
127.08620	0.6
128.10767	1.9
129.06610	0.5
129.10246	1.2
132.83607	0.5
133.06096	20.7
134.06052	2.0
143.11728	0.9
145.02797	0.6
145.10158	0.5
155.08208	0.6
155.11824	1.1
157.09752	0.6
159.07634	0.7
171.11362	0.5
173.12872	15.1
183.11319	3.9
195.01129	1.6
196.08403	0.8
200.13899	0.6
201.12332	10.0
211.10756	0.4
213.12335	3.7
219.13368	0.5
220.07646	0.7
221.07944	0.7
223.07576	0.4
224.07893	1.1
226.11914	1.2
228.13428	1.3
229.11903	3.4
239.08955	1.4
240.10167	0.6
241.10599	0.6
246.14503	21.0
251.17439	0.6
258.14569	0.7
267.08514	0.6
269.10092	1.0
286.11148	0.5
296.19684	12.3
299.20779	0.7
312.05164	0.7
312.08646	0.8
313.09070	3.1
314.20792	2.0
315.16873	0.5
316.15295	0.6
327.20233	0.5
333.17743	3.8
359.02908	0.5
360.02786	0.9
383.23129	0.5
389.57318	0.4
428.25101	1.2
429.23254	1.0
446.12946	1.5
446.20206	2.2
446.26526	3.7
447.18195	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	445.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.05516	24.4
57.07082	19.0
65.03896	3.2
66.96956	2.8
67.05515	27.4
69.06731	4.1
69.07077	53.7
70.81915	3.7
70.82253	7.0
71.08635	10.1
74.50460	3.2
79.05511	15.7
80.31055	2.8
81.06591	6.5
81.07066	100.0
82.56605	3.0
83.04964	4.3
83.08624	27.9
85.10189	4.6
91.05489	13.7
93.07045	34.2
95.08624	75.4
97.10172	18.1
102.08362	3.0
105.07030	20.0
107.08598	34.0
107.97195	2.9
109.06458	3.3
109.10166	55.3
111.11728	10.9
119.08601	20.7
121.10171	23.9
123.08086	3.8
123.11739	27.3
125.05933	3.1
133.10139	9.8
135.08061	3.7
135.11699	19.8
137.05986	11.3
137.09671	3.8
137.13292	12.6
139.07539	8.0
143.08560	4.5
145.10158	4.4
147.11708	14.2
149.09642	5.8
149.13272	20.4
151.14824	3.2
157.10170	7.1
161.13260	9.3
163.07620	3.9
163.14836	11.9
165.09149	25.3
167.07101	8.5
171.11742	6.3
173.13197	3.8
174.10487	5.2
175.11151	4.1
175.14867	4.2
177.16408	13.3
185.13382	5.0
189.09164	3.9
189.12811	8.3
189.16443	6.4
191.10709	4.0
191.17947	5.6
202.09895	5.1
203.10667	8.8
203.14273	3.5
203.17970	6.9
205.12402	4.3
205.19566	3.7
217.12328	4.4
217.19536	6.2
231.13884	4.8
231.21082	4.4
235.20563	4.7
399.36584	4.4
404.02734	3.8
417.37720	5.0
427.35690	11.7
445.31039	4.2
445.36429	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
53.34866	2.1
55.01863	8.6
55.05515	40.5
57.06799	2.5
57.07078	47.7
67.05510	23.5
69.03426	4.0
69.07074	79.5
71.08637	34.5
78.97440	2.5
79.05493	15.7
81.06594	4.0
81.07059	68.7
83.04964	9.2
83.08623	47.8
85.10189	15.3
91.05475	11.9
93.07050	34.5
95.08060	4.0
95.08615	52.1
97.06522	9.8
97.10183	33.5
105.07040	5.8
107.08600	27.0
109.06534	5.6
109.10155	24.8
111.08067	13.8
111.11750	20.6
119.08550	6.0
121.06502	5.0
121.10146	16.7
123.08051	7.8
123.11713	13.0
124.05269	3.3
125.13271	6.8
127.23722	2.2
131.08609	4.0
133.10129	7.2
135.08044	4.9
135.11736	11.9
137.05974	14.3
137.09576	2.6
137.13202	3.4
139.07549	100.0
144.75278	2.3
147.11690	3.9
149.06029	3.6
149.09639	5.3
149.13313	14.4
151.07585	14.1
153.09036	2.7
159.11745	4.3
161.09612	4.3
161.13177	4.2
163.07393	3.0
163.14867	13.8
165.05470	10.7
165.09155	33.2
167.07008	2.9
171.11684	5.3
173.09505	3.4
175.11150	8.2
177.09145	4.6
177.16388	3.4
179.10695	3.2
181.08557	3.9
185.13274	4.3
189.09167	3.4
189.12697	7.0
193.08614	17.1
195.10184	3.1
202.10027	4.1
203.10669	5.8
217.12177	6.9
221.28641	2.2
227.14429	2.9
231.13754	7.5
233.22551	3.2
236.90280	2.8
289.28851	14.4
305.21204	3.4
307.29868	19.2
399.36237	6.6
406.68414	2.2
409.34985	2.6
417.37112	9.2
427.35883	12.7
445.36832	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	42.6
57.07082	74.9
67.05497	15.3
69.07068	71.6
70.22671	5.6
70.69734	13.9
71.08635	61.5
75.28322	5.5
79.05501	14.3
81.07063	45.5
83.01322	10.2
83.04987	8.5
83.08617	53.5
85.10175	22.2
89.70955	5.7
91.05481	16.1
93.07043	13.5
94.77017	5.8
95.08613	31.8
97.10159	29.3
105.07039	17.8
107.08595	16.7
109.06531	62.4
109.10154	24.1
111.08088	7.3
111.11739	18.4
119.08583	16.4
121.06581	8.0
121.10113	9.5
123.08076	12.8
123.11705	8.3
131.08607	9.2
133.10146	12.4
135.08052	26.7
137.05983	100.0
137.09631	12.5
137.13260	6.6
139.07573	41.0
145.10127	8.9
147.11693	12.7
149.06009	12.2
149.09651	21.9
151.07524	48.1
151.11188	6.5
153.09116	8.3
157.10168	13.3
161.09631	13.6
163.07587	13.1
163.11169	12.5
165.09125	68.5
165.49220	6.5
167.07065	14.0
170.10989	7.2
171.11699	12.8
173.09676	9.5
174.10390	9.3
175.07582	5.8
175.11209	19.6
177.09109	27.7
179.10590	12.3
181.08568	14.1
185.13293	15.7
189.12769	25.7
191.10722	12.1
193.12308	12.9
202.09918	12.2
203.10670	21.8
203.14320	16.3
205.12219	10.0
207.13805	10.6
215.14388	6.0
217.12201	7.5
221.15445	14.3
231.13885	12.6
235.16927	7.7
249.18646	9.1
263.19974	8.1
277.21658	8.9
291.23184	7.4
319.22397	6.7
385.34680	30.7
399.36411	38.3
403.35751	23.6
417.37265	49.8
427.35599	35.5
445.36896	40.6
458.52719	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	445.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01866	6.6
55.05509	9.9
57.03447	14.6
67.05501	22.9
69.03444	15.3
69.07065	9.5
70.17390	5.3
70.17785	6.2
71.04996	7.2
71.70417	2.7
71.78031	2.6
73.02918	3.1
73.04740	2.7
74.98482	2.7
79.05495	24.8
81.03408	16.4
81.07064	26.8
83.04983	5.1
83.08624	10.8
85.02901	8.2
85.06502	2.7
86.09708	15.2
91.05457	19.8
93.07043	29.1
95.04988	2.7
95.08607	17.1
97.02901	13.1
97.06527	7.1
99.04466	4.6
103.03989	2.7
105.07047	23.6
107.04932	4.0
107.08616	19.6
109.02866	2.5
109.10154	7.7
111.04455	3.5
113.00021	47.8
117.07037	8.2
119.08588	26.7
121.10146	17.4
123.08003	3.0
127.03911	4.7
129.05493	8.0
129.07030	4.7
131.08546	14.0
133.10161	13.0
135.11710	17.9
143.08568	5.9
145.10091	17.0
147.11693	16.6
149.13254	6.1
153.12819	3.7
157.10141	6.0
159.11720	10.3
161.13275	21.4
163.11200	4.3
165.09039	4.2
169.02638	4.8
171.11752	5.7
173.04474	5.5
173.13289	7.2
175.14790	10.0
185.13278	6.4
186.14937	8.8
187.03680	8.6
187.14902	4.2
209.11790	9.1
214.14398	2.6
217.19452	4.3
227.12807	7.8
231.21158	3.8
237.13589	2.9
241.19521	28.7
243.21135	3.6
259.20612	34.1
277.21854	2.8
315.23288	4.7
333.24237	100.0
359.03046	3.8
445.20367	16.1
445.29697	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	445.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01863	3.9
55.05515	5.9
57.03447	13.1
57.07084	1.6
67.05507	20.0
68.11804	1.0
69.03436	8.8
69.07064	4.6
71.01345	1.2
71.05000	3.1
71.08634	1.5
71.54773	1.5
75.68625	1.2
79.05489	18.7
81.03445	8.1
81.07065	25.5
83.04982	3.0
83.08619	4.8
85.02914	2.3
85.06555	2.5
91.05470	23.5
93.06484	2.2
93.07046	29.4
95.04992	3.5
95.08620	15.3
97.02899	9.3
97.06524	3.0
99.04464	1.3
99.12804	1.1
103.03977	1.8
105.07039	22.1
107.04933	2.1
107.08602	17.4
109.02892	2.5
109.06534	1.4
109.10175	6.5
111.04453	2.1
111.08073	2.0
113.00030	52.4
117.06992	7.6
119.08598	25.5
121.10165	12.4
123.08033	1.6
125.09604	1.5
127.03951	2.4
129.05493	6.2
129.07013	4.3
131.08585	10.8
133.10138	18.8
135.07985	1.6
135.11687	11.6
143.08591	4.6
145.10129	11.8
147.08017	3.3
147.11682	13.9
149.09619	1.8
149.13293	6.9
153.12817	3.2
155.07040	1.4
157.10214	6.1
159.11717	10.5
161.13269	18.4
163.11180	4.0
163.14833	3.9
165.09146	2.9
169.02631	6.1
171.11707	8.2
173.13306	7.5
175.11270	1.5
175.14821	11.3
181.12277	2.6
185.13274	5.6
187.03650	9.1
187.14871	2.0
189.12781	2.2
191.10638	1.4
199.14841	4.0
209.11659	4.5
215.17952	3.8
217.19508	4.8
227.12778	4.6
231.21083	2.9
241.19513	30.1
243.21046	3.4
259.20587	28.8
283.15714	2.4
315.23090	1.5
331.15778	1.4
333.24252	100.0
334.24411	1.8
359.02756	1.6
375.47705	1.7
427.22482	3.5
445.20605	8.8
445.25763	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01874	11.9
55.05514	16.5
56.96551	4.3
57.03442	9.2
59.07130	4.6
59.81608	4.2
61.02935	9.5
62.67884	4.5
67.05518	30.0
69.03429	24.4
69.07068	20.5
71.05006	25.1
71.54282	6.1
72.08168	4.9
73.04762	9.7
77.25379	4.1
79.05505	37.8
81.03429	26.1
81.07063	68.2
83.04987	34.1
83.08624	10.8
85.02905	21.0
85.06098	4.6
85.06539	24.0
86.09700	21.5
87.11159	4.2
91.05427	32.2
93.07056	80.5
95.04979	28.2
95.08620	30.2
97.02909	21.3
97.06530	45.1
99.04462	16.2
101.06035	6.5
105.07040	70.4
107.04961	6.7
107.08590	60.1
109.02919	7.0
109.06532	33.3
109.10165	19.2
111.04454	14.7
111.08119	10.0
113.05988	5.7
117.07063	6.7
119.08588	42.4
121.06516	63.2
121.10149	21.0
123.04453	5.3
123.08072	12.9
123.11716	18.9
125.05972	14.6
127.03958	11.6
127.07577	14.2
129.05472	5.9
129.06996	10.2
131.08589	14.0
133.10144	30.2
135.08051	27.3
135.11668	13.7
137.05998	11.0
137.09604	5.3
139.07518	36.3
142.07790	5.7
143.07074	8.2
143.08582	16.8
145.10139	17.3
147.08023	7.3
147.11699	100.0
149.13290	8.2
156.09399	5.5
157.05008	5.6
157.08780	7.8
157.10144	19.4
161.09724	7.7
161.13193	5.5
163.11218	8.4
165.12785	70.1
167.05577	10.6
171.11681	20.3
173.09663	8.3
173.13168	6.6
175.11179	29.4
179.10660	4.9
183.13905	11.5
187.11237	5.4
189.12747	45.3
191.10722	7.4
191.14346	6.7
193.12277	39.2
195.13858	7.3
199.11287	12.8
207.13861	18.8
209.11824	5.2
209.15369	11.5
211.13277	6.6
215.49002	4.8
217.12280	67.8
227.12695	9.2
229.14302	36.0
235.13301	87.0
253.14398	89.5
257.17529	6.0
265.18066	22.3
271.15359	6.5
283.15469	12.4
359.02908	13.9
385.05820	4.7
391.17581	11.2
401.20752	5.6
409.18509	19.6
427.19455	18.9
445.19739	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	445.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01885	3.8
55.05508	6.4
56.96562	1.0
57.03439	7.4
57.07059	1.0
61.02620	0.9
61.02931	14.9
67.05503	10.0
68.51634	0.8
69.03429	10.5
69.07080	4.7
69.71928	3.5
69.72339	1.4
70.06595	1.7
71.01362	1.1
71.04994	2.4
72.08154	1.9
73.02918	8.2
73.04757	2.0
74.30707	1.0
79.05495	13.5
81.03423	12.6
81.07061	11.4
83.01356	1.1
83.04989	4.8
83.08631	6.0
85.02910	16.8
85.06554	1.2
86.09709	12.8
87.04477	1.2
87.25821	0.7
91.03954	8.5
91.05418	4.7
93.07043	22.2
95.04966	5.4
95.08604	20.8
97.02899	16.9
97.06528	2.9
97.10204	0.9
99.04462	5.5
101.02379	3.0
103.03934	1.8
103.05492	0.7
105.07028	6.9
107.04956	5.7
107.08595	18.1
109.02908	5.1
109.06505	1.5
109.10147	3.4
110.97607	0.7
111.04436	2.9
111.08059	1.2
114.94731	0.7
115.03958	0.7
117.07029	4.1
119.07785	1.1
119.08572	7.6
121.06510	3.6
121.10154	7.7
123.08068	1.4
125.06001	2.4
125.09573	1.0
127.03919	8.9
127.07509	0.9
129.05473	1.2
129.07014	1.0
131.08562	1.0
133.10144	3.3
135.08063	2.2
135.11691	25.4
137.06018	1.0
139.07538	1.0
141.06586	1.2
143.08563	0.9
145.04944	2.3
145.10132	18.5
146.11729	1.5
147.11714	1.0
153.12776	1.6
155.48686	0.8
159.11801	1.1
161.09448	0.9
163.11185	35.1
167.05560	1.0
173.09621	0.9
173.12871	1.5
175.11250	1.0
181.12233	10.1
183.06509	2.5
187.07114	1.1
191.10686	1.2
201.07614	1.5
209.11668	4.8
217.12225	1.0
227.12793	100.0
237.02820	0.8
251.08722	1.0
254.43387	0.8
283.15405	35.4
287.05661	1.1
311.14838	2.8
325.16666	3.8
330.86871	0.9
359.02887	2.1
359.13699	0.9
367.17572	0.8
391.17566	1.9
409.18594	1.0
427.19461	4.8
445.14737	1.2
445.20483	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	445.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
54.32774	1.3
55.01870	6.8
55.05507	10.6
57.03423	2.8
59.05004	3.0
61.02933	10.0
65.03934	8.7
67.05510	34.9
69.03436	25.4
69.06783	1.5
69.07081	16.0
69.71191	8.2
71.01357	1.5
71.04988	6.6
72.08156	4.0
73.02931	3.2
73.04763	2.3
79.05498	12.8
81.03415	6.1
81.06594	2.1
81.07065	38.9
83.04987	50.3
83.08636	3.7
84.08128	1.5
85.02909	18.2
85.06543	6.6
86.09708	11.0
87.00836	5.6
91.05447	15.1
93.03414	16.9
93.06484	3.2
93.07050	46.9
95.04981	41.2
95.08614	21.7
97.02888	7.6
97.06541	18.0
98.20778	1.6
99.04475	7.9
99.08123	1.7
99.65987	1.4
101.06030	3.4
105.01832	2.0
105.07034	24.9
107.04970	1.9
107.08599	22.7
109.02869	2.6
109.06528	11.0
109.10175	6.1
111.04449	63.4
111.08090	49.4
113.06050	2.9
115.07531	1.7
116.22335	1.4
117.03354	2.5
117.07009	2.3
119.08575	14.0
121.02856	4.0
121.06526	12.4
121.10147	5.7
123.04443	2.4
123.08074	4.9
123.11712	23.2
125.06004	10.2
127.03934	7.2
127.07531	2.4
129.05493	31.6
129.06953	1.6
131.08574	2.7
133.06499	3.4
133.10144	29.1
135.08080	7.5
135.11708	10.4
137.05986	8.5
137.09618	2.4
137.13231	1.4
139.03899	11.6
139.07564	9.6
143.07039	6.8
143.08566	3.2
145.02884	9.5
145.04932	3.0
145.10159	4.5
147.08035	2.9
147.11696	30.2
149.05971	1.8
149.13245	2.5
151.07483	2.2
151.11192	14.6
153.05457	10.5
153.09096	2.5
157.04967	6.1
157.08656	2.1
157.10123	5.0
159.06535	2.6
160.61304	1.8
161.09644	5.0
163.11227	2.4
165.12737	12.7
169.12253	66.3
171.06540	23.8
171.11699	4.2
173.09677	2.7
175.11192	20.3
177.05496	22.5
179.10675	13.6
189.07574	2.6
189.12811	7.2
193.12262	33.1
193.13911	2.8
197.11737	43.9
199.06064	1.9
199.11194	2.3
207.13799	6.7
209.11852	2.0
209.15248	2.2
211.13304	65.2
217.07088	100.0
217.12231	19.9
229.14366	31.2
235.13313	22.0
253.14439	17.5
271.15540	2.8
283.15402	3.5
339.11038	2.6
359.02972	1.7
367.17575	4.9
385.18286	2.6
409.18613	8.6
427.19766	7.5
445.20181	2.0
456.18149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.66750	0.4
55.01860	1.9
55.05508	2.2
56.96550	0.5
57.03427	1.7
61.02913	2.8
67.05502	2.9
68.99777	1.0
69.03429	6.9
69.07062	1.2
69.75045	1.9
70.06578	0.8
71.04980	1.5
71.66626	0.4
72.08141	1.7
73.02917	2.3
79.05479	2.4
81.03417	8.0
81.07057	3.3
83.04972	1.5
83.08636	0.6
84.08137	0.9
85.02908	12.7
85.06529	0.8
86.09696	3.4
87.00835	4.2
91.03955	0.7
91.05463	3.6
93.07038	5.5
95.04935	1.2
95.08591	1.8
97.02884	4.0
97.06554	1.0
97.10183	0.9
98.20838	0.7
99.04453	2.2
101.02354	0.6
102.05576	0.6
103.03951	0.8
105.01876	1.8
105.07027	5.3
107.04961	0.6
107.08594	22.3
109.02888	6.3
109.06515	1.1
109.10168	2.1
111.04431	1.3
111.08078	0.9
117.01856	0.4
119.08582	5.2
121.06516	0.7
121.10166	3.6
123.08044	1.1
123.11688	0.8
125.09656	1.2
127.03906	9.0
129.01836	0.8
129.05449	0.6
131.08601	1.1
133.09128	0.7
133.10133	12.5
135.08037	0.5
135.11656	1.1
137.06009	1.0
137.09592	1.6
139.07542	1.3
143.08574	1.0
145.04953	2.2
145.10103	1.2
146.11765	0.5
147.11685	0.8
149.09641	2.7
151.07541	1.0
151.11159	5.8
153.12720	0.9
157.08598	0.5
157.10027	0.4
159.02881	1.7
161.09601	4.7
163.11159	1.5
167.10683	10.2
168.82091	0.4
169.12213	1.1
173.09258	0.5
175.11211	0.7
179.10669	14.0
181.12288	0.8
187.14481	0.5
191.10629	0.6
193.12207	0.9
197.11734	100.0
201.08765	0.6
209.11697	1.0
211.13385	1.0
213.03911	0.8
215.13954	0.6
217.06999	0.5
217.12207	0.5
227.12773	1.5
231.04936	2.8
231.17024	0.6
235.13339	0.5
245.18401	0.7
283.15295	2.3
287.05484	0.6
427.15665	1.1
445.16519	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	445.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13169	2.3
53.03937	8.7
54.09362	2.5
55.01874	12.2
55.05523	13.4
56.96550	6.5
57.03447	19.2
59.04981	2.9
61.02913	3.4
62.27531	2.0
67.05502	28.5
69.03086	3.2
69.03430	43.2
69.07065	12.2
71.01353	4.1
71.04992	10.7
71.53946	3.4
73.02905	3.9
78.36798	2.0
79.05161	1.9
79.05499	25.2
79.07402	2.2
81.03419	51.9
81.07052	25.2
83.01350	4.5
83.04996	22.4
83.08624	12.6
85.02908	22.4
91.03951	3.3
91.05384	10.7
93.07040	27.9
95.04978	15.8
95.08619	15.5
97.02303	3.8
97.02895	60.9
97.06566	10.6
97.10162	4.1
98.97557	4.7
99.04446	8.4
101.02358	2.7
103.03924	3.2
105.07034	14.0
107.04961	12.4
107.08601	13.1
109.02877	18.2
109.06507	3.9
109.10140	10.3
111.04450	17.1
111.08064	6.2
117.06983	7.0
119.08579	15.5
121.06469	4.1
121.10135	16.3
123.08032	4.9
125.05952	2.3
125.09630	5.5
127.03939	24.2
129.05478	5.3
129.07016	3.8
130.06558	4.2
131.08566	5.5
133.10164	6.4
135.08066	5.0
135.11711	16.3
137.09622	4.3
145.04987	3.6
145.06407	2.9
145.10139	15.9
147.08025	4.8
147.11694	3.8
149.09581	4.4
153.12750	24.0
155.08589	3.1
157.07585	7.1
163.11189	34.9
165.09140	14.3
173.04460	9.8
173.09576	8.0
173.11781	3.1
181.12247	11.7
183.06535	2.7
191.10736	12.7
193.12277	6.2
203.08182	13.5
209.11723	41.0
227.12785	43.0
245.13858	2.3
259.08557	2.1
265.14041	3.0
283.15323	14.5
285.10095	3.1
301.16534	8.1
323.10724	8.8
334.38220	2.5
353.15845	3.5
359.02774	3.6
409.18451	2.5
427.19659	6.8
445.20648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01855	2.9
55.05507	3.8
57.03429	2.9
57.07078	1.3
59.05005	3.4
61.02911	3.2
65.03931	2.3
67.05507	11.2
68.99779	1.1
69.03085	1.0
69.03432	12.0
69.07072	5.0
69.51245	1.2
69.51659	3.6
70.06573	1.5
71.04983	2.3
72.08143	3.1
73.02917	2.4
73.04750	0.9
74.06065	0.7
79.05500	4.8
81.03427	6.1
81.07059	9.3
83.04987	12.8
83.08627	1.3
84.08160	1.3
84.60448	0.7
85.02906	12.3
85.06529	2.2
86.09717	9.4
87.00837	3.8
87.04480	0.9
91.05453	6.7
93.03416	3.6
93.07051	17.4
95.04980	13.1
95.08620	4.7
97.02897	7.2
97.06549	6.0
99.04483	4.6
105.01864	2.9
105.07033	10.5
107.04898	1.1
107.08604	21.2
109.02890	6.5
109.06516	2.7
109.10155	2.5
111.03723	1.0
111.04453	16.7
111.08084	14.1
113.06116	0.7
115.11137	1.1
117.03374	1.4
117.07069	0.8
119.04964	0.9
119.08585	6.6
121.02903	0.9
121.06500	4.2
121.10137	2.2
123.04441	1.5
123.08096	1.2
123.11720	7.0
125.05989	3.2
127.03933	6.5
129.05487	8.1
130.19168	0.7
131.08603	1.3
133.06534	1.1
133.10136	21.8
133.11107	1.5
133.12257	1.1
135.08061	2.3
135.11703	18.5
137.06013	3.3
137.09615	2.0
139.03934	4.1
139.07539	2.8
143.07025	1.7
145.02869	3.0
145.04970	2.0
145.10103	2.0
147.11693	7.7
149.05922	1.0
149.09619	0.9
151.11179	7.0
153.05467	3.1
157.05046	1.2
157.08687	0.8
157.10091	1.5
159.02866	1.0
159.06580	0.8
159.07936	0.8
161.09630	8.8
161.13255	1.0
163.11185	1.4
165.12782	3.0
169.12247	18.8
171.06502	5.5
171.11674	1.5
175.11168	4.8
177.05463	6.9
179.09105	1.6
179.10689	32.8
185.12814	0.8
189.07524	1.4
189.12794	2.8
191.10599	0.9
193.12263	8.5
197.11745	100.0
198.12050	0.8
199.11157	2.1
207.13910	1.5
211.13306	18.9
213.04108	0.8
217.07074	26.4
217.12239	4.9
227.12712	0.9
229.12019	1.1
229.14310	7.7
231.04951	1.7
233.14937	0.9
235.13263	4.9
241.07251	0.8
253.14391	3.6
261.14679	0.9
283.15564	1.5
321.10999	0.8
339.11081	1.0
344.83850	0.7
359.02643	1.0
391.17719	0.8
407.83762	0.7
409.18753	1.8
427.19498	2.2
445.20166	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03943	1.5
55.01866	1.0
55.05514	0.6
57.03418	0.8
59.04980	0.7
61.02916	0.8
67.05491	0.8
68.99770	0.2
69.03087	0.4
69.03429	4.2
69.07055	0.5
70.06570	0.3
71.04982	0.7
72.08157	1.7
73.02909	0.6
73.04718	0.4
79.05496	1.2
79.62577	0.3
81.03418	3.7
81.04967	0.2
81.07076	1.1
81.90842	0.2
82.62745	0.2
83.04974	0.4
84.08121	0.5
85.02905	9.4
86.09706	4.2
87.00829	3.6
91.05468	3.4
93.07050	5.1
95.04973	1.4
95.08639	0.3
97.02301	0.3
97.02890	4.2
99.04452	1.5
105.01856	3.2
105.07036	4.2
107.04999	0.3
107.08596	14.9
109.02884	5.9
109.06502	1.0
109.10159	1.2
117.03374	0.3
119.04920	0.5
119.06043	0.3
119.08566	1.7
119.37982	0.3
120.08066	0.3
121.06500	1.4
121.10159	0.3
123.04420	0.9
123.08060	0.3
123.11674	0.6
127.03922	7.4
129.01857	0.6
129.29092	0.2
131.08582	0.6
133.10135	14.4
135.08047	0.5
135.11693	15.3
137.05957	0.7
137.09607	0.7
145.02850	0.5
145.04929	1.5
146.07266	0.4
147.02885	0.3
147.04327	0.3
151.08632	0.4
151.11224	1.4
153.12706	0.3
157.13301	0.3
159.02884	1.3
161.09621	8.9
163.11220	0.2
167.05571	0.3
168.16817	0.3
177.05450	1.4
179.08113	1.4
179.10670	27.4
180.11087	0.4
185.12894	0.3
185.16504	0.3
187.10849	0.3
189.04070	0.3
197.11732	100.0
198.12090	0.9
199.17952	0.3
202.05843	0.3
213.03934	1.0
213.16061	0.3
231.04990	2.3
261.14319	0.3
283.15488	0.4
326.18045	0.3
336.08987	0.3
356.11856	0.3
409.15497	0.3
445.19446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01881	3.4
55.05502	1.6
57.03452	2.4
59.04992	0.6
61.02929	2.6
65.03947	0.4
67.05496	1.6
68.99783	1.0
69.03434	13.1
69.07068	0.8
69.50891	2.1
69.51299	1.0
70.06577	0.6
71.01353	0.6
71.05006	2.2
72.08164	7.3
73.02933	2.7
73.04749	1.4
79.05493	2.7
81.03423	13.6
81.07048	1.8
83.04992	0.8
83.08620	0.6
84.04501	0.7
84.08127	1.0
85.02912	26.6
86.09722	5.0
87.00838	10.6
91.03947	0.7
91.05400	3.2
93.07041	5.7
95.04961	1.5
95.08588	1.4
97.02292	0.8
97.02899	11.3
97.06567	0.7
98.97620	0.6
99.00932	0.4
99.04472	4.8
103.03937	0.6
104.50157	0.4
105.01871	7.5
105.07040	6.0
107.04980	0.9
107.08603	36.3
109.02893	13.4
109.06509	1.4
109.10156	2.5
111.04448	0.8
111.08052	0.5
115.03987	0.5
117.01853	1.3
119.08588	2.1
121.06500	1.5
121.10125	1.3
123.04524	0.5
123.11727	0.7
127.03929	21.6
129.01831	1.4
131.08531	1.0
133.10138	17.8
135.11693	11.4
137.05991	0.9
137.09625	2.3
145.04977	8.2
145.10138	1.0
147.02905	1.1
147.04471	0.5
151.11189	1.9
153.12740	0.6
157.13435	0.6
159.02911	6.7
161.09639	8.0
163.11163	1.8
166.26651	0.5
167.05536	0.8
177.98792	0.5
179.10677	19.4
181.12297	1.1
189.03883	0.7
191.10692	0.8
197.11746	100.0
198.12140	1.0
201.12480	0.7
205.64464	0.4
209.11745	1.4
213.03983	0.9
215.10310	1.1
224.57961	0.5
225.04263	0.6
227.12766	5.1
231.04988	5.4
231.17093	1.0
238.23752	0.4
249.05936	0.6
283.15436	1.9
340.81396	0.6
359.03030	1.0
401.17169	0.5
445.20453	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	443.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.7
57.07096	4.4
62.30008	3.6
65.35148	3.8
67.05502	29.6
69.07076	52.2
70.99953	5.1
71.00288	8.7
71.05000	10.8
77.28510	4.3
79.05482	16.5
79.20313	4.5
81.07064	100.0
83.08607	13.2
88.20876	3.7
91.05473	13.7
91.63893	4.4
93.07055	38.8
95.08611	78.9
97.10168	11.7
101.43919	3.9
105.07037	34.8
107.08604	43.7
109.09462	7.4
109.10155	70.6
111.11710	6.7
113.21307	4.0
119.08579	22.6
121.10147	36.4
121.54537	3.8
123.11691	37.0
127.11203	13.7
129.48668	3.9
131.08601	9.0
133.10149	22.2
135.11694	29.8
137.13237	17.4
144.92329	4.6
145.10123	13.1
147.11731	22.6
149.13260	20.8
153.12718	12.3
159.11705	11.5
161.13268	15.2
163.14883	8.7
173.13313	8.0
175.14824	13.0
177.16418	11.8
187.14830	9.7
189.16338	9.0
191.17990	9.5
201.16350	4.9
203.17975	11.0
208.80135	4.9
215.17943	8.7
233.19006	5.1
271.24332	6.0
281.55978	4.9
357.31335	6.3
425.37784	8.3
443.33362	34.4
443.38943	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	443.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.5
57.07063	5.9
57.25756	2.1
67.05507	32.8
69.06729	3.6
69.07068	39.8
71.05000	5.9
74.01895	2.1
75.96930	2.2
76.50642	2.2
79.05500	20.1
81.07059	100.0
83.08611	8.4
85.06554	4.2
85.07103	2.2
91.05478	14.5
93.07052	39.9
95.08608	78.7
97.10182	6.0
105.07036	27.9
107.08598	50.7
109.06561	3.1
109.10169	60.8
111.11723	4.9
119.08582	25.6
121.10148	35.2
123.11715	29.2
125.09604	5.3
127.11198	8.8
131.08578	11.8
133.10143	15.2
135.11705	29.9
137.13255	14.2
139.11211	2.5
145.10118	14.6
147.11702	22.1
149.13254	20.9
151.11177	2.9
151.14816	2.7
153.12712	2.6
157.10129	2.1
159.11697	9.2
161.13307	14.2
163.14854	11.2
165.12781	3.5
171.11720	3.5
173.13266	8.3
175.14822	10.7
177.16379	9.9
187.14803	4.7
189.16370	9.9
191.17856	3.8
201.16362	4.1
203.17953	8.9
205.19524	2.7
215.17921	8.4
217.19489	8.5
227.87169	2.6
229.19577	4.4
231.21045	3.3
233.19005	3.1
251.20064	2.9
257.22620	2.9
271.24219	3.5
396.78125	2.6
407.36703	5.0
425.37747	15.6
443.33347	14.5
443.38937	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	443.3886
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
55.05515	17.6
57.07076	4.6
57.43753	2.0
62.80248	1.9
67.05511	26.1
69.06734	3.2
69.07075	44.1
69.07445	1.5
69.23814	6.8
69.24241	14.0
71.01837	2.2
71.04992	8.0
71.54643	2.3
77.88538	2.1
79.05492	18.6
81.07060	100.0
81.07534	5.1
83.08623	12.6
91.05486	15.5
93.07043	42.5
95.04980	2.4
95.08614	82.5
97.10166	9.0
99.08120	4.1
105.07030	29.1
107.08598	55.6
109.10164	71.3
111.08077	3.4
111.11718	3.9
113.13750	2.0
117.07035	3.1
119.08588	37.9
121.10160	40.2
123.11700	31.5
127.11201	9.8
131.08548	4.4
133.10124	27.9
135.11697	36.8
137.09621	3.1
137.13264	15.8
139.11162	2.5
143.08569	3.1
144.35687	2.4
145.10129	16.7
147.11665	26.2
149.13269	25.3
153.12717	7.6
159.11684	16.8
161.13290	20.2
163.14830	13.9
167.14363	3.3
173.13266	10.0
175.14873	11.6
177.16451	15.0
179.17949	3.2
185.13222	2.3
187.14771	8.4
189.16386	11.5
191.17943	7.3
193.15913	3.1
196.04883	2.5
197.64653	2.7
201.16391	9.5
203.18010	15.6
205.19496	4.6
213.16438	3.5
215.18015	11.9
217.19693	11.0
229.19530	5.9
231.21141	4.1
233.18893	4.4
243.21054	2.7
245.22821	2.6
251.19998	4.8
259.24295	3.9
285.25912	5.5
352.17325	2.3
387.97601	2.4
407.36697	3.4
425.37732	19.6
443.33499	3.8
443.38855	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44745	1.2
55.05514	2.4
63.33297	1.0
67.05520	2.2
69.07065	2.9
71.36305	1.6
79.05469	1.4
81.07052	3.1
83.04995	1.8
85.42281	1.1
91.05493	1.4
93.07035	3.4
95.08610	2.9
104.09335	1.2
107.08557	2.8
111.04446	1.8
119.08630	1.6
135.11723	1.7
153.05235	100.0
154.05498	1.4
168.19600	1.4
194.07846	1.9
215.05930	1.1
313.21393	44.0
443.27911	1.6
443.33490	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
55.05507	0.4
56.05043	0.4
56.96559	0.3
57.03439	0.4
58.06607	0.3
60.04523	0.5
60.05652	6.5
61.02930	0.4
67.05507	0.8
69.03438	1.9
69.07072	7.8
70.06596	21.7
71.04996	0.8
71.54044	0.3
72.08151	1.8
78.90398	0.3
79.05524	0.5
81.03427	0.7
81.07066	1.2
83.04996	0.4
84.08159	0.8
85.02904	3.2
85.06580	0.3
86.09710	100.0
87.10027	0.6
87.32762	0.3
91.05460	0.7
92.99775	0.3
93.07043	0.9
95.04958	1.4
95.08607	1.1
97.02894	1.4
97.07666	0.3
99.04464	0.6
105.07024	0.5
107.04903	0.3
107.08596	1.0
109.06534	0.8
109.10170	1.7
112.08732	4.3
113.03539	0.3
113.07156	0.5
114.10328	0.8
115.08704	3.7
116.07093	8.2
117.07052	0.4
118.06892	0.3
119.08589	0.7
120.08109	0.5
121.06541	0.7
121.10152	0.4
123.08041	0.3
127.03938	0.7
128.10728	17.6
130.06587	0.6
130.09767	3.0
131.08510	0.3
133.09767	0.6
135.08096	0.4
137.09630	3.2
139.03983	0.3
145.04929	0.4
145.10098	0.5
149.06245	0.3
151.07663	0.3
151.11206	0.8
156.10188	1.4
156.11322	8.3
157.10864	1.0
158.09261	6.7
159.08032	0.7
159.11694	0.4
161.09618	0.4
163.11176	0.4
175.11926	18.4
177.07481	0.4
177.09174	0.3
178.95010	0.4
179.03374	2.0
187.11263	0.4
199.18015	0.3
201.12520	0.4
203.14250	0.3
205.12320	1.2
208.14467	0.6
209.07169	0.3
221.15450	0.4
226.15492	0.9
228.17126	0.4
229.15526	0.8
245.15445	0.9
253.16614	0.3
263.16434	4.2
269.18674	0.7
271.17676	7.2
281.17468	1.9
288.20325	0.8
401.27777	0.4
425.28513	0.4
443.29788	95.7
444.30191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67434	0.5
54.03471	3.9
55.04247	2.7
56.96560	0.7
57.03428	0.8
63.27037	0.6
66.71673	0.5
69.03421	1.9
70.06594	1.6
70.70465	0.5
71.13480	1.0
72.19174	0.5
80.05003	0.7
81.03439	1.2
81.04546	19.5
82.05321	7.4
85.02900	2.6
87.04482	0.9
97.02905	1.2
98.97604	1.1
108.05636	1.2
110.07140	0.8
122.07159	100.0
123.07940	91.1
127.03935	0.9
142.69142	0.5
144.04837	1.2
160.04289	1.7
163.03951	1.0
165.07747	3.5
172.04308	0.7
281.10690	58.8
282.11020	1.0
323.11807	1.3
383.06378	0.6
443.15994	89.9
444.16510	1.6
460.06088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1893
Annotation	Tyr Phe Asn
Peak:m/z	Relative Intensity
69.07040	0.4
83.46703	0.3
85.02903	0.5
86.09722	0.5
115.02618	0.3
121.10171	0.4
145.03426	0.3
148.55220	0.3
155.01848	0.3
159.08043	0.3
165.09196	0.5
167.54434	0.3
185.04245	0.4
195.13600	2.0
220.85590	0.3
223.13062	0.8
227.05374	0.4
233.12567	0.3
264.49872	0.3
271.04114	0.5
339.17810	0.4
357.18851	8.4
375.18753	0.8
381.19006	0.8
399.19910	29.6
413.08340	0.3
443.18893	100.0
444.19293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.6
58.54698	1.8
65.10723	1.6
68.15661	1.7
69.25610	9.9
69.26025	3.4
70.06596	62.3
71.83795	1.5
72.39503	1.6
84.08159	4.5
90.12583	1.4
95.08239	1.5
98.20717	2.6
98.97596	3.5
110.97604	2.0
114.05537	6.6
116.07095	100.0
121.02874	1.7
131.00136	1.8
136.06206	7.1
163.03955	3.5
167.08592	6.1
177.07071	3.1
178.07797	3.3
181.10118	2.0
191.08586	17.6
193.10202	4.6
195.08115	3.6
202.07915	2.0
203.08646	2.0
205.06659	2.0
219.08038	21.5
221.09691	3.9
223.07649	1.9
229.07507	1.9
236.10696	13.0
237.08969	1.7
238.12227	8.9
240.10184	8.9
249.95302	1.7
253.13368	46.3
253.16037	2.3
254.11803	8.2
282.11261	11.1
299.13916	74.0
336.06955	1.6
362.13895	4.1
379.12073	1.8
379.16486	17.8
382.05359	2.1
408.14780	1.9
425.17062	14.4
442.19849	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1842
Annotation	Platensimycin
Peak:m/z	Relative Intensity
55.01871	2.0
55.05513	9.1
56.05027	2.2
56.96592	0.8
57.03448	5.2
58.06579	0.9
59.04993	1.5
67.05138	1.4
67.05505	28.5
67.77026	0.7
68.03338	0.7
68.05035	1.7
69.03429	1.8
69.07071	2.3
70.02940	1.0
70.06596	12.8
71.04987	2.3
71.07359	0.8
72.04511	2.9
72.08161	1.5
73.02897	0.9
79.05490	4.8
80.05018	6.5
81.03418	1.8
81.05806	0.8
81.07067	7.4
82.06567	3.9
83.04984	2.1
83.08617	3.4
83.31033	0.7
84.04515	3.6
84.08149	2.5
85.02891	2.1
85.05308	0.9
85.06546	1.7
86.06081	4.4
86.09711	4.1
91.05476	4.0
93.07043	3.6
94.06564	2.0
95.04994	1.4
95.07364	0.9
95.08603	3.4
96.04511	1.0
96.08139	1.9
97.02878	1.3
97.06520	1.2
97.10169	4.3
98.06057	25.0
98.09718	1.3
98.98470	11.4
99.06812	1.0
100.07644	0.8
105.07030	2.4
107.04966	1.7
107.08578	2.6
108.08115	1.4
109.02894	0.8
109.10159	21.0
110.06017	1.8
110.09669	1.1
111.08089	1.2
113.28703	0.8
114.18208	0.7
116.07076	1.5
117.06986	1.1
119.08564	3.1
120.08106	1.4
121.06510	1.7
121.10155	2.1
122.09688	2.1
125.00002	1.3
125.09625	2.3
127.03911	1.3
128.07111	3.9
129.05490	3.1
136.07643	0.9
136.11226	1.4
137.09648	1.9
140.10718	1.1
140.14359	1.4
149.09546	1.0
154.02673	1.7
155.01068	0.8
155.10690	1.6
158.09395	1.3
165.09045	0.8
168.04260	1.8
173.02133	1.6
173.11761	6.2
177.05405	0.9
180.13817	7.1
182.02188	1.2
182.15381	1.0
184.07335	5.1
189.11237	1.4
196.03726	2.1
198.14925	1.5
199.13344	0.8
203.84799	0.7
208.13327	6.9
210.14931	1.1
224.16489	1.2
229.14337	14.5
234.14938	2.7
239.12726	1.6
252.16005	3.2
254.17441	1.0
270.17081	1.6
278.11661	1.0
282.17068	1.1
283.17807	2.3
290.05624	0.9
306.11099	1.9
308.18579	1.0
324.21893	0.9
326.19528	1.8
333.15518	1.0
344.20712	3.0
352.15216	7.2
362.13690	3.1
363.14246	2.9
380.14655	3.2
381.15515	5.2
396.17261	1.1
398.15698	1.1
406.16147	2.4
410.25455	1.7
424.16937	3.3
442.18039	100.0
443.18289	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	442.1841
Annotation	N-Acetoacetyl-N-deacetylcolchicine
Peak:m/z	Relative Intensity
53.03933	1.3
54.78763	0.8
55.01868	1.7
55.05512	9.1
56.05042	4.2
57.03436	5.8
58.06601	1.5
59.04998	1.0
63.14362	0.7
63.77691	0.7
67.05509	28.6
68.05022	1.7
69.03433	2.5
69.07063	3.0
70.02946	1.1
70.06599	18.7
71.04986	1.9
71.07343	1.0
71.53921	0.9
72.04524	3.7
72.08149	1.9
79.05503	6.7
80.05022	7.1
81.03421	1.9
81.07066	9.3
82.06590	5.6
83.04982	1.9
83.08619	2.7
84.04497	3.6
84.08144	2.0
85.02917	1.8
85.06551	1.2
86.06068	5.2
86.09704	5.6
91.05491	4.0
91.54375	0.8
93.07063	4.8
94.06553	2.4
94.07345	0.8
95.04934	1.5
95.07379	0.9
95.08605	5.0
96.04517	0.9
96.08128	1.9
97.02888	1.5
97.06536	0.8
97.10160	2.3
98.06065	32.6
98.09684	1.6
98.98473	15.2
98.99082	0.7
99.06880	0.9
100.07623	3.3
105.07011	1.8
107.04958	2.1
107.08606	3.1
108.08123	1.4
109.02897	1.1
109.10162	25.0
110.06015	1.9
110.07137	0.7
110.09691	1.0
111.06825	1.1
111.08073	1.6
112.07615	1.7
116.04712	0.9
116.07090	1.4
119.08590	3.9
120.08109	2.0
121.10166	1.5
122.06013	1.4
122.09695	2.5
123.08038	1.0
124.07583	1.7
125.00008	2.4
125.09650	3.4
127.03906	2.0
128.07118	4.5
129.05476	3.0
136.07559	1.7
136.11185	1.6
137.09651	2.3
138.09181	1.0
139.53918	0.7
140.10681	1.3
140.14297	1.1
147.08018	1.1
150.03091	1.1
154.02602	1.1
154.12231	1.4
155.01115	1.0
155.10699	2.3
158.09389	1.8
163.11154	1.6
168.04263	1.6
168.13867	1.4
173.02139	2.1
173.11794	7.7
180.13831	8.9
184.07352	9.0
189.11290	2.6
194.11806	1.1
196.03712	2.2
198.14828	2.5
199.13315	1.2
201.05733	1.1
208.13359	8.6
224.16197	0.8
226.14464	1.2
227.15257	1.2
229.14340	19.6
234.14903	2.8
238.14388	0.9
239.12750	1.2
246.41719	0.8
252.15991	3.9
270.07416	1.4
270.17017	1.5
282.17102	1.0
283.17908	1.9
301.16245	0.9
306.11023	1.0
308.18542	1.2
315.14297	1.2
326.19666	2.0
333.15497	2.1
334.14053	1.1
336.12079	1.4
338.13620	1.4
344.20770	2.2
352.15149	9.0
362.13605	3.6
363.14389	2.6
380.14746	3.0
381.15503	7.3
386.15857	1.1
398.15768	1.8
406.16315	2.7
424.17096	5.1
435.64499	0.8
442.18179	100.0
443.18094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03951	6.4
55.05521	20.6
57.07061	6.4
67.05507	29.7
69.03423	11.2
69.07078	42.5
69.53041	19.0
78.34297	2.5
79.05495	21.4
79.65513	2.5
81.07062	100.0
83.04995	7.5
83.08620	15.5
86.94357	3.1
91.05481	14.0
93.06559	4.1
93.07051	40.9
95.05008	3.1
95.08617	84.9
96.17887	3.0
97.06526	7.2
97.10162	8.0
99.43008	3.2
105.07035	45.7
107.08599	59.8
109.06499	6.0
109.09476	5.7
109.10165	68.5
111.04439	5.2
111.08057	5.5
116.07073	4.4
117.07043	5.0
117.95817	2.8
119.08598	41.6
121.09332	5.0
121.10148	47.8
123.08059	3.2
123.11713	33.8
123.43739	3.3
125.09631	12.3
127.11176	7.4
131.08568	13.0
133.10136	36.2
135.11699	38.9
137.13240	14.8
139.11198	3.9
143.08582	6.5
145.10161	22.2
147.11684	26.7
149.13255	23.7
151.11166	6.3
151.14713	3.7
153.12531	3.5
157.10173	9.2
159.11699	27.9
161.13258	21.9
163.14828	10.3
169.10052	3.4
171.11710	10.9
173.13264	16.4
175.14853	12.7
177.12758	3.2
177.16376	12.8
185.13239	7.1
187.14845	13.1
189.16394	13.0
191.18001	6.9
199.14793	5.7
201.16412	16.1
203.17950	9.4
205.15916	3.8
213.16435	7.0
215.17940	10.0
217.19466	4.9
223.53619	3.1
227.17912	7.3
229.19485	7.1
231.20932	3.3
241.19437	4.4
255.20937	4.4
257.22708	3.6
269.22681	3.6
405.35004	3.6
411.35907	4.5
423.36331	26.4
441.37354	31.3
463.35281	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.77775	1.8
53.03933	5.0
54.75243	1.5
55.01839	2.1
55.05508	16.0
57.07075	5.0
59.04998	1.6
65.03944	1.5
67.05508	31.0
69.03438	9.6
69.06731	2.6
69.07075	36.6
69.66985	1.4
69.87615	2.9
69.88016	8.1
71.04984	5.3
79.05499	24.5
81.07059	100.0
83.04974	3.0
83.08625	13.6
85.06537	3.8
91.05486	18.0
93.06493	2.7
93.07054	50.3
95.04971	4.4
95.08612	77.7
97.06516	7.8
97.10188	8.1
99.08102	2.7
105.07037	44.7
107.08601	56.3
109.06499	7.9
109.10162	65.4
111.08062	4.9
111.11697	2.6
114.63843	1.6
117.07002	4.3
119.08588	45.2
120.70954	1.7
121.10144	46.2
123.08089	5.9
123.11710	31.6
125.09637	10.2
125.14859	1.5
127.11208	3.8
129.06931	2.0
131.08577	12.7
133.10146	34.3
135.08130	3.0
135.11705	32.6
137.09639	3.7
137.13231	7.8
139.11179	2.3
143.08539	4.0
145.10118	23.5
147.11697	30.5
149.09621	1.6
149.13266	23.5
151.11218	8.3
153.12761	2.5
156.09424	2.6
157.10112	10.8
159.11690	24.5
161.13268	19.3
163.14859	12.6
165.12746	2.7
171.11676	9.1
173.13297	16.3
175.14821	16.8
177.12671	2.1
177.16434	14.8
179.14471	1.8
183.11755	3.7
183.93242	1.7
185.13226	7.5
187.14832	11.1
189.16376	10.0
191.17914	3.7
197.13292	3.3
199.14827	6.7
201.16432	8.5
203.14256	2.5
203.17912	10.3
205.15889	2.1
205.19591	1.8
213.16299	8.0
215.17981	9.3
217.19460	6.9
219.17587	2.7
227.18018	4.9
229.19458	4.9
231.17465	4.8
231.20949	2.3
233.18779	2.0
241.19455	3.3
243.21184	2.9
245.18962	2.0
249.18564	3.4
253.19295	2.0
255.21062	5.2
257.22717	3.3
269.22510	2.7
271.24164	2.0
281.22772	1.8
283.24255	2.6
295.24478	2.0
405.35114	8.1
411.36072	2.1
423.36234	34.1
441.37305	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
52.14131	1.8
55.05518	10.9
57.07086	5.4
67.05514	45.7
69.07077	31.6
69.31833	17.0
69.35542	1.9
71.04988	1.9
79.05498	17.4
79.14587	2.0
81.07062	80.1
81.07538	4.3
83.08627	10.0
91.05493	10.4
93.07049	38.9
95.04990	2.8
95.08618	68.0
97.10188	6.1
101.76211	2.4
105.07043	26.4
105.33391	2.0
107.08605	47.8
109.06505	2.8
109.10165	100.0
109.71040	2.4
111.11718	7.4
113.18233	1.9
117.07019	3.5
119.08599	30.3
121.10154	36.9
122.71202	2.4
123.08104	1.9
123.11707	23.3
125.09676	4.3
131.08591	7.5
133.10143	35.8
135.11710	47.2
137.09616	28.7
137.13264	14.4
143.08594	4.0
145.10132	11.7
147.11710	26.9
149.13281	29.8
151.11220	6.0
151.14717	2.2
157.10272	2.8
159.11742	13.8
161.13280	16.4
163.14844	9.2
165.12849	5.5
171.11723	5.1
173.13313	10.7
175.14865	17.2
177.16394	12.4
185.13297	4.2
187.14848	13.4
189.16432	12.6
191.17990	3.1
193.15858	11.0
199.14793	5.2
201.16435	7.8
203.17929	5.3
205.19629	2.9
207.17538	4.0
213.16394	5.7
213.18449	1.9
214.16774	2.1
215.18001	5.3
217.19556	5.2
219.17505	7.4
227.18063	3.4
229.19713	2.4
241.19499	3.1
243.21266	2.4
255.20978	4.1
256.03592	2.0
257.22647	4.6
259.24329	5.7
265.19717	2.2
269.22702	7.4
271.24222	14.4
273.22125	2.6
281.22696	3.1
393.35080	4.0
405.35193	7.5
411.36328	21.1
423.36145	9.1
441.37183	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	441.2825
Annotation	Klyxumine B
Peak:m/z	Relative Intensity
55.05505	1.7
56.96545	0.8
57.58401	0.6
67.05496	2.7
69.07074	1.1
71.04990	0.8
71.36027	0.7
71.36373	0.7
79.05479	1.7
81.03398	1.0
81.07064	2.1
83.04984	1.8
83.08636	0.8
84.04504	3.7
91.05464	1.8
93.07045	1.8
95.04985	0.8
95.08587	2.1
95.58275	0.6
98.97591	1.0
105.07037	1.1
107.08617	1.0
109.10158	1.6
111.08154	0.6
112.99139	0.8
119.08576	1.5
121.10094	0.9
124.15298	0.6
130.04994	1.2
131.00215	0.6
133.10115	1.0
136.07616	1.0
149.09624	0.7
157.06328	0.6
165.09174	1.0
187.96477	0.6
223.11116	0.6
269.17453	1.1
304.79742	0.6
346.43677	0.6
441.28265	100.0
442.28455	1.9
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	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03944	5.6
55.01892	1.8
55.05512	18.0
57.07076	7.9
67.05509	38.2
69.03437	13.2
69.06725	3.6
69.07073	43.8
69.56968	9.3
69.57378	4.3
71.04999	6.5
79.05497	22.7
81.07062	100.0
83.08627	11.8
85.06541	3.3
85.40607	1.7
91.05486	20.5
93.07046	50.5
95.04985	5.6
95.08614	85.8
97.06544	8.7
97.10184	8.2
98.21417	2.3
105.07036	40.0
107.08598	69.2
108.28753	2.0
109.06529	7.4
109.10164	63.7
109.10925	3.1
111.08105	6.3
111.11727	5.9
117.06996	5.2
119.08585	40.0
121.06544	1.9
121.10149	42.6
123.08092	3.7
123.11714	34.9
125.09637	27.4
127.11214	2.6
131.08569	12.5
133.10150	33.6
135.08081	2.0
135.11702	36.6
137.09708	2.7
137.13278	19.1
139.11137	2.7
143.08568	5.3
145.10136	21.5
147.11708	33.5
149.13277	28.4
151.11192	12.8
151.14804	3.1
153.12733	3.8
155.08623	1.9
157.10149	10.2
159.11722	18.7
161.13277	22.6
163.14845	12.9
165.12782	3.8
169.10159	2.3
171.11658	8.9
173.13260	18.9
175.14804	15.8
177.16351	10.0
185.13298	7.8
187.14853	14.9
189.16333	9.2
191.17947	2.9
195.11691	2.6
197.13318	2.4
199.14865	8.1
201.16341	12.2
203.17859	8.8
211.14809	2.7
213.16452	6.4
215.17961	9.1
217.19485	7.0
219.17448	2.3
225.16522	3.6
227.17993	6.1
229.19563	4.1
231.17517	3.4
241.19534	4.6
243.17764	2.0
243.21107	3.1
245.18791	1.9
253.19563	2.1
255.21048	5.0
257.22678	5.0
269.22626	3.7
271.20435	2.0
271.24255	2.0
281.22668	1.8
283.24338	2.9
285.22156	1.9
285.25775	2.9
297.25977	2.6
301.25366	2.3
327.26669	2.1
329.28635	2.6
337.28912	2.3
339.30545	4.2
341.28616	2.1
405.35159	9.9
411.36325	5.9
423.36267	28.1
441.37247	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01878	2.4
55.05521	3.7
56.10465	0.5
56.96578	0.8
57.03435	1.3
57.07061	0.5
59.04999	0.8
60.50547	0.4
67.05508	5.7
69.03433	14.3
69.07066	4.5
71.04992	2.2
71.53584	0.7
73.02919	0.9
79.05492	3.0
81.03427	12.6
81.07059	7.3
83.04987	1.7
83.08614	2.5
85.02913	6.4
85.06519	0.5
87.00836	3.3
91.05473	3.4
93.07055	6.0
95.04971	2.6
95.08613	6.8
97.02909	5.8
97.06551	2.0
98.97592	1.2
99.04462	3.6
103.03931	0.6
105.01846	1.4
105.07052	3.9
107.08597	7.9
109.02887	9.9
109.06536	4.9
109.10165	10.7
109.10850	1.0
111.04427	0.7
111.08081	4.6
114.70451	0.5
115.03952	0.7
119.08580	7.6
121.06509	0.6
121.10176	2.4
123.08087	3.7
123.11707	2.3
125.05112	0.5
125.09606	1.2
127.03924	9.4
131.08539	1.2
132.61263	0.5
133.10133	8.1
135.08051	1.1
135.11700	8.5
137.09625	100.0
138.09958	0.8
145.04982	3.4
145.06473	1.9
145.10173	1.2
147.08080	0.8
147.11682	1.8
149.09634	1.0
149.13304	0.9
151.07570	1.6
151.11197	2.1
155.08563	1.1
156.09280	0.6
157.10120	0.9
159.02919	0.8
159.08061	0.8
159.11700	1.1
161.09671	0.7
161.43044	0.4
163.11198	0.5
165.09111	1.1
173.13272	0.6
175.11160	0.8
175.14838	14.2
177.08995	0.6
189.85042	0.5
193.15894	83.9
205.15942	0.5
217.15874	0.7
229.07538	0.5
231.05016	6.8
245.11888	0.7
249.06171	1.1
259.09061	0.6
267.09018	0.9
273.14993	0.9
349.21933	0.7
367.22711	1.2
385.14954	0.6
416.35748	0.5
441.21164	14.7
441.26157	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01869	2.1
55.05506	4.9
61.02918	1.2
67.05511	5.3
68.99803	1.4
69.03433	11.0
69.06774	0.8
69.07075	8.7
70.06573	2.1
70.77666	1.7
70.77991	1.1
71.04991	2.5
72.08156	0.9
73.02901	1.6
79.05484	3.3
81.03436	5.4
81.07048	8.5
83.04980	1.0
83.08624	3.4
84.08159	1.4
84.91158	0.9
85.02437	1.5
85.02912	21.8
85.06546	3.9
85.07672	0.9
86.09711	1.4
87.00841	6.5
89.06047	0.9
89.53731	0.8
91.05487	8.0
92.05761	1.1
93.07054	8.6
95.04971	1.0
95.08616	15.7
96.46532	0.9
97.02909	11.9
97.06517	1.7
97.10154	1.6
97.77584	1.0
98.97566	2.1
99.04448	3.0
99.08096	1.9
105.01886	7.4
105.07040	11.7
107.08614	14.9
108.15829	0.8
109.02862	4.8
109.06567	1.0
109.10171	7.6
111.04464	1.0
111.08060	2.2
112.99136	2.0
113.05968	0.9
115.03901	3.2
117.07034	1.3
119.08593	34.1
121.06539	0.8
121.10152	20.1
123.08048	1.7
123.11692	1.1
125.02350	3.6
125.09635	1.9
127.03918	12.2
129.01828	1.3
131.08574	3.2
133.10139	31.5
134.10944	1.5
135.08061	1.4
135.11705	5.5
137.09552	1.2
139.11041	1.0
143.03378	2.1
145.04984	4.1
145.10117	5.4
147.07999	1.2
147.11717	8.4
149.09619	1.2
149.13260	3.2
155.14314	1.3
157.10185	1.6
158.10895	1.2
159.02867	2.9
159.08139	0.9
159.11700	3.4
160.12428	1.9
161.09610	1.3
161.13245	6.8
162.02197	1.5
163.03880	1.6
163.11276	1.5
171.11610	1.2
173.13258	3.5
175.14838	100.0
177.16411	21.5
187.14810	5.9
189.11237	1.0
189.16385	1.5
193.15907	8.2
205.15892	15.3
220.18562	0.8
227.12706	1.3
229.15971	1.0
231.05009	4.4
235.04799	1.3
235.16983	0.9
241.15782	1.3
242.56281	0.8
245.13925	1.8
247.04521	1.3
249.06042	2.1
249.11349	1.6
275.83127	0.8
283.16949	1.4
300.15210	1.4
301.18030	2.0
313.94028	0.8
341.44647	0.9
387.18094	1.7
405.19095	3.6
411.86612	0.9
423.20288	2.4
441.16412	8.6
441.21457	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	441.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79369	0.5
53.03960	0.8
55.01871	1.3
55.05497	2.8
57.03414	1.3
57.07069	1.2
67.05489	2.1
68.99800	0.8
69.03433	7.5
69.07070	6.1
69.10132	0.6
70.86639	1.3
73.02923	1.7
73.97278	0.7
79.05484	2.2
81.03419	3.5
81.07050	2.7
83.08605	2.6
84.08119	1.2
85.02909	14.3
85.06528	1.9
86.09743	0.6
87.00822	6.2
87.04442	0.6
91.05490	4.0
93.07028	4.3
95.04963	0.9
95.08613	8.8
97.02888	6.0
98.97591	1.0
99.04459	1.7
105.01862	5.1
105.07037	8.7
107.08606	8.5
109.02874	4.2
109.06506	0.9
109.10154	5.6
112.99113	0.7
113.16496	0.6
115.03909	0.9
117.07017	1.5
119.08588	29.9
121.10145	10.3
123.11707	1.0
125.02334	1.2
127.03920	8.8
131.08557	2.2
131.39371	0.6
133.10135	28.1
134.10883	1.4
135.08044	1.0
135.11725	3.5
137.09624	0.9
143.03343	1.0
145.04967	3.6
145.10133	3.6
147.11681	6.2
149.13243	1.4
157.10063	0.7
158.10825	0.8
159.02844	1.5
159.11674	2.4
160.12521	1.4
161.13235	3.1
173.09503	0.8
173.13203	3.3
175.14832	100.0
177.16385	9.5
185.13197	0.8
187.14809	3.5
187.20230	0.6
193.12093	0.9
193.15869	6.6
197.13292	0.7
199.14865	1.0
205.15889	7.0
217.15875	0.6
229.03618	0.8
231.04990	2.6
245.79094	0.7
277.06140	0.8
283.17081	1.3
301.18005	2.0
319.18683	0.8
367.42828	0.7
387.18048	0.8
391.79333	0.6
397.18457	0.9
405.19098	1.9
423.20377	1.2
441.07855	0.8
441.21735	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	441.1735
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
53.43953	0.3
56.96543	0.5
65.59061	0.3
67.05519	0.4
69.03400	0.7
69.07049	0.8
70.06587	0.4
71.07698	0.6
74.39085	0.4
79.05492	0.5
81.03384	0.5
81.07064	0.6
84.08127	0.8
85.02903	0.5
86.09686	1.4
91.05473	0.5
93.07033	1.6
97.06507	0.4
98.97598	0.5
101.00836	0.4
105.07027	1.0
107.08588	1.3
109.10131	0.5
112.99150	0.6
119.08603	0.9
120.08156	0.5
133.10080	0.4
143.01915	1.4
145.10158	0.7
157.03424	0.7
161.02989	1.0
175.04510	0.4
177.39099	0.3
181.12257	0.4
193.12057	1.6
235.11780	0.5
243.04788	0.6
244.99564	0.3
245.06349	0.4
267.11978	1.0
271.04315	0.7
287.03656	0.8
289.05264	1.5
295.13937	0.5
337.16052	0.9
355.17300	4.0
363.21829	0.3
379.17291	2.4
395.17007	0.5
397.18356	26.0
398.18683	0.4
423.16257	7.7
441.17337	100.0
442.17786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
54.53841	0.5
55.05521	0.8
67.05479	0.7
69.03425	0.9
69.07058	1.3
69.30404	0.5
70.06612	0.7
71.53956	0.9
79.05482	1.4
81.03392	0.7
81.07043	0.9
83.04992	0.8
84.08144	0.8
85.02888	1.5
86.09724	2.6
91.05478	0.8
93.07040	1.7
95.05003	0.6
95.08594	1.0
97.02859	0.9
98.06059	0.5
98.97585	1.3
105.07031	1.1
107.04955	0.6
107.08598	2.1
109.02901	0.7
109.10113	0.6
112.99149	2.6
119.08567	1.9
120.08061	1.1
121.06455	0.6
121.10152	1.3
122.59554	0.5
123.11693	0.5
124.99984	1.2
127.00044	0.8
127.03905	0.7
131.00169	1.5
133.10104	1.9
135.11725	1.0
149.01263	0.5
158.99701	1.1
171.31076	0.5
173.01285	0.8
175.14825	1.2
184.07370	4.6
185.07701	1.2
193.03860	1.0
193.12007	1.9
227.05263	0.7
227.61134	0.5
235.04921	2.2
249.06404	0.9
271.04343	0.7
277.05978	1.5
287.03775	1.0
289.05338	0.8
321.05133	0.7
343.16370	0.7
355.17319	3.3
355.63913	0.5
379.17215	2.3
397.18341	24.3
423.16241	8.2
441.17322	100.0
442.17596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.01866	0.7
55.05512	4.2
55.93336	0.6
56.05041	4.8
56.96568	1.2
61.06094	0.6
61.82480	0.6
67.05511	13.4
69.03409	1.8
69.07069	7.9
71.53535	0.7
79.05495	8.4
81.03426	2.6
81.07065	9.2
83.04992	2.8
83.08622	2.4
84.04509	100.0
84.98630	0.6
85.06541	1.0
85.69294	0.6
86.09718	1.6
91.05486	7.1
93.07048	9.1
95.04979	2.9
95.08610	8.3
97.02907	0.8
97.06548	1.3
97.10179	2.5
98.97612	2.2
102.05534	10.2
105.07044	5.6
107.04951	3.7
107.08604	4.9
109.06536	1.3
109.10168	6.0
110.10467	0.8
111.04479	1.0
111.08088	0.9
117.07021	2.1
119.08578	6.8
121.06521	1.0
121.10137	5.5
122.41151	0.7
123.11742	0.8
124.01105	0.7
125.00020	0.9
125.09665	1.0
129.07037	0.8
130.05009	72.8
131.08589	3.2
133.10129	5.3
135.08075	3.7
137.09607	1.3
139.11223	3.2
145.10126	2.1
147.11726	2.7
148.06053	16.3
148.07184	1.0
149.02350	1.0
149.09671	1.1
155.10657	0.7
157.10072	1.3
159.11707	1.3
163.11206	1.0
171.07903	0.8
173.01091	0.9
173.11841	1.2
184.07433	1.9
187.13388	0.8
189.11285	1.1
193.05055	0.9
194.05315	1.1
197.13361	0.9
203.12798	6.4
211.13312	1.0
237.14868	1.8
249.04623	0.8
249.09377	0.7
251.11566	0.7
257.19092	2.3
275.20071	14.9
285.10089	0.9
293.21075	10.5
295.67349	0.7
305.09070	1.1
376.24802	0.7
394.26004	2.4
440.26437	16.0
441.28235	4.7
448.61322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
55.05523	12.7
56.96562	5.6
57.03440	12.7
57.07071	3.8
61.02927	7.9
62.54846	2.8
66.20484	2.8
67.05507	6.5
69.03436	28.8
69.07075	47.9
69.21082	23.5
69.21489	6.2
73.02924	29.3
73.88267	2.5
79.05491	7.1
81.03426	11.5
81.07056	12.7
81.07696	2.6
82.06585	4.4
83.08618	22.9
84.08145	3.6
85.02908	75.3
87.00854	13.7
91.03967	3.7
91.05487	8.6
93.07021	4.0
94.06567	4.2
95.04992	4.1
95.08651	5.2
97.02892	30.0
97.06548	5.7
97.10197	5.0
98.20770	4.4
98.97590	5.8
99.04485	5.1
101.02398	2.8
105.01866	20.6
105.07035	7.5
109.02893	15.9
109.10151	4.7
111.11728	18.0
115.03909	15.1
119.08598	4.5
121.10156	2.8
127.03930	38.1
131.08572	4.9
133.04958	3.3
136.07549	3.2
137.13242	3.0
142.08647	3.0
145.04971	21.2
149.09740	2.9
154.08649	10.3
157.15869	16.1
159.02902	3.5
163.06039	7.8
184.07359	8.4
188.06876	2.9
192.10829	2.9
193.12254	4.2
223.06033	4.5
224.94249	2.6
231.04997	9.1
249.05959	3.1
250.18102	6.0
261.12939	2.8
270.12613	3.0
273.34171	2.6
302.04230	11.7
303.05035	10.0
303.11044	2.7
356.07227	2.6
378.30124	9.8
380.27963	48.2
422.29639	3.5
440.10010	15.4
440.23401	33.4
440.30084	100.0
441.17172	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	440.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66685	0.5
55.05507	1.2
56.05035	0.7
56.29264	0.5
56.96571	0.6
57.94022	0.5
58.99590	6.2
61.01154	0.6
65.58657	0.5
67.05499	1.5
69.03427	1.6
69.07059	1.3
70.06585	2.3
71.04991	1.0
72.08148	1.0
76.02229	7.8
79.05489	1.2
81.03423	0.8
81.07066	1.3
83.04983	1.5
84.04523	1.0
84.08114	1.3
84.58761	0.6
85.02915	2.8
86.09701	1.0
86.99049	2.2
88.04009	0.6
93.07043	1.4
93.81036	0.6
94.06570	1.0
95.05017	0.8
95.08657	0.6
97.02881	1.2
97.06544	1.0
98.97607	1.1
100.02198	7.2
101.02371	1.1
102.03786	1.0
102.88331	0.6
105.00069	1.6
109.07710	0.9
109.10184	0.6
113.06017	1.3
119.08511	0.9
121.06551	0.6
121.10182	2.9
122.05991	0.9
125.06011	2.8
134.06041	0.7
134.37000	0.5
136.07608	1.5
137.07043	1.1
138.05484	1.4
139.11220	1.0
146.02711	6.9
146.05983	2.4
150.05501	0.6
153.12724	0.8
157.79414	0.6
158.05969	0.9
158.09723	0.9
160.07684	0.7
161.07109	0.8
162.09198	0.6
163.11221	1.5
164.07103	1.0
170.09596	1.2
172.07564	2.5
174.09177	1.0
175.08687	3.6
176.07076	1.1
178.03371	0.7
181.12265	2.6
182.08255	0.8
184.07402	0.8
185.08403	0.8
186.09196	2.4
187.12321	1.3
188.03787	1.9
188.10789	0.9
189.10258	1.5
196.04341	1.0
196.07582	3.5
198.09245	4.7
199.08705	1.6
199.13327	12.1
200.07098	0.9
200.09200	0.6
210.09195	1.3
211.08601	0.9
212.09233	1.1
212.10890	0.9
213.10254	9.4
213.12178	1.1
214.08768	3.2
214.10837	0.8
215.11836	4.5
217.09712	3.1
224.07120	1.4
226.07188	2.0
227.08195	2.1
227.11757	3.1
229.09763	1.0
229.13493	0.8
230.06197	0.8
231.11351	1.7
235.10747	5.7
239.08253	1.2
239.11879	0.8
240.08800	2.8
241.09737	27.6
242.04683	1.4
242.08144	4.2
242.10521	2.0
243.09171	1.0
243.11362	15.3
254.06425	0.9
254.10510	2.4
255.11313	5.3
256.10861	0.8
257.12973	1.3
258.12378	10.9
259.10785	24.1
260.09177	2.4
270.12241	0.7
271.09018	1.7
271.13177	2.6
273.06931	1.0
273.12408	2.2
277.11938	1.7
283.10751	8.8
284.09192	2.3
284.13983	1.0
285.12338	11.4
286.09558	1.9
299.08624	3.3
300.10840	0.9
301.11850	27.0
302.10297	2.5
303.13394	4.3
316.10983	0.8
317.13675	18.3
318.12561	4.1
319.13013	5.3
340.07907	0.7
344.16022	1.3
360.13937	1.4
362.11752	8.1
363.10065	4.4
378.14850	1.1
404.12744	17.2
405.11142	6.3
422.13815	100.0
423.12167	10.2
440.12146	0.9
440.23886	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.7
55.05521	30.4
57.07061	15.0
59.05005	4.4
59.51180	3.9
60.39175	3.7
67.05511	46.4
69.03417	17.6
69.07075	38.5
70.33920	10.9
71.05001	8.2
71.08628	9.1
78.72200	4.7
78.73127	4.4
79.05494	28.9
81.06595	6.5
81.07058	100.0
83.04984	49.4
83.08606	19.4
85.10149	6.0
89.06026	13.8
91.05482	27.4
93.07056	84.4
95.04970	8.0
95.08612	92.3
97.06540	11.5
97.10147	12.5
105.07024	68.6
107.08605	90.5
109.06485	10.3
109.10156	73.9
111.04433	18.2
111.08096	6.4
117.07032	6.1
117.13223	4.1
119.08593	62.5
121.06522	4.6
121.10146	50.7
123.08060	11.7
123.11716	22.7
125.09605	36.1
131.08574	23.2
133.08607	9.2
133.10127	39.3
135.11691	43.2
137.09624	7.1
137.13225	6.7
143.08577	15.7
145.10144	47.4
147.11700	42.9
149.09564	9.2
149.13298	21.3
151.11163	14.3
157.10129	23.1
159.11705	44.9
161.13315	23.5
163.11157	8.8
163.14803	7.6
169.10126	6.6
171.11687	13.7
173.13261	29.1
175.14807	14.8
177.16446	8.8
183.11697	7.9
185.13260	15.2
187.14833	18.5
189.16348	20.4
191.17929	7.2
197.13283	6.3
199.14825	13.4
201.16376	16.9
203.17946	14.4
205.15912	4.7
213.16429	12.3
215.17914	12.2
217.15991	6.8
219.17447	5.2
225.16293	7.5
227.17931	11.7
231.17220	6.3
239.14934	15.1
239.18054	4.8
241.19557	5.6
243.20847	5.1
253.19511	6.7
273.21973	4.7
279.21234	5.4
281.22589	5.8
283.24289	7.5
325.48398	4.6
337.29172	5.2
403.33362	11.6
409.34793	10.5
421.34872	35.2
422.35699	5.6
439.35675	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.97358	1.4
53.03967	2.2
55.05513	17.2
57.07075	10.9
57.46835	1.6
57.94321	1.4
65.03951	2.3
67.05509	32.6
67.86971	1.5
69.03426	1.9
69.07072	44.0
69.60385	3.9
69.60793	7.6
71.08632	5.2
79.05499	19.9
79.11057	1.6
81.07060	68.0
83.04974	3.8
83.08628	20.2
85.06537	2.1
85.10152	2.1
89.06040	3.2
91.05486	16.7
93.07049	52.1
95.04983	3.3
95.08611	83.8
97.10174	7.0
99.04511	2.0
103.05499	1.8
105.07040	45.3
107.08598	69.9
109.06533	3.4
109.10163	70.3
109.24451	1.7
111.04499	1.9
111.08144	1.9
111.11721	4.7
116.06192	1.5
117.07069	7.3
119.08586	51.7
121.06501	5.5
121.10146	49.0
123.08095	2.1
123.11726	31.3
125.13267	1.7
128.06236	2.5
129.07024	4.1
131.08578	19.6
133.06509	2.8
133.08618	2.0
133.10132	38.0
135.08064	6.4
135.11699	27.4
137.13269	14.9
139.16177	1.7
142.07797	2.3
143.08548	9.4
144.09454	1.7
145.10138	22.5
147.08084	4.2
147.11700	34.4
149.09628	53.6
149.13264	17.5
151.14836	5.9
153.09109	5.4
155.08617	3.2
157.10164	15.0
159.11699	26.4
161.09656	5.9
161.13258	21.5
163.11180	4.3
163.14825	11.7
165.09111	3.0
167.10709	4.3
169.10168	4.5
171.11731	9.9
173.09685	3.2
173.13257	18.3
175.11259	5.5
175.14818	8.8
177.09053	2.2
177.12810	3.3
177.16386	5.7
179.10684	4.7
179.17836	2.9
181.10117	1.7
181.12251	7.7
185.13258	8.8
187.11182	2.9
187.14825	10.9
189.12799	4.0
189.16373	7.7
191.10716	1.9
191.14331	2.1
191.17998	5.6
193.12311	4.5
193.19534	3.6
195.13843	3.1
197.13371	4.1
199.14810	7.8
201.12721	3.1
201.16362	8.8
203.18004	14.0
203.19922	2.1
205.12300	4.6
205.15883	2.2
205.19516	4.6
207.13860	5.6
209.13213	1.7
209.15459	2.2
211.14969	2.8
213.12834	1.5
213.16426	5.0
215.14359	3.3
215.17967	6.9
217.19522	8.7
219.13802	3.8
219.21066	3.4
221.15358	8.9
225.16524	1.8
226.93233	1.6
227.17981	4.8
229.19615	4.8
231.14034	2.1
231.21111	5.4
233.15372	5.4
235.17003	7.0
237.16319	1.7
239.14905	4.2
239.17990	2.4
240.15262	1.7
243.21167	2.2
245.22672	5.4
247.16934	4.2
255.21086	2.0
257.15524	1.9
257.22678	3.1
259.16919	7.4
259.24146	2.0
261.18555	7.7
269.22766	3.5
273.18616	9.2
275.20154	2.4
283.24176	2.4
287.20029	8.1
289.21716	2.6
297.25726	2.3
301.21719	3.7
311.27390	1.8
313.21613	7.2
315.23218	3.8
325.28918	2.8
327.23242	5.3
329.24835	3.4
331.26364	2.2
355.26550	1.9
357.27951	5.3
383.29547	4.3
421.34772	5.1
439.35782	100.0
440.36404	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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03941	10.0
54.20189	4.2
55.05521	23.5
55.29765	4.8
57.07063	16.5
61.11209	5.0
67.05183	5.9
67.05511	66.6
69.03412	4.2
69.07069	57.3
70.64697	5.7
70.65042	12.5
71.00404	4.4
71.08635	6.1
79.05505	33.6
81.07059	91.9
83.04966	20.9
83.08608	16.6
85.06512	4.9
85.10186	4.8
89.06028	63.2
90.06343	11.6
91.05506	28.4
92.92449	4.0
93.07044	74.2
95.04936	5.8
95.08611	87.0
97.06472	5.8
97.10167	8.0
105.07037	64.4
107.08591	71.8
109.06490	9.2
109.10165	100.0
109.25051	4.1
111.04438	6.9
111.11691	6.2
117.07031	8.9
119.08590	61.6
121.10147	62.7
123.11718	28.8
125.09631	9.3
129.06996	9.8
131.08565	19.2
133.08623	30.4
133.10136	51.6
134.08922	12.0
135.08052	6.2
135.11717	37.5
137.09622	15.4
137.13264	12.2
143.08549	16.5
144.09401	6.1
145.10150	39.8
147.11708	44.2
149.09618	24.0
149.13341	22.6
151.11185	10.2
153.35385	4.2
155.08537	6.8
157.10127	16.3
159.11710	50.5
161.13298	26.4
163.11183	8.5
163.14832	9.1
169.10115	9.2
171.11697	12.0
173.13272	27.9
175.11269	5.5
175.14827	21.9
177.11244	5.7
177.12785	5.1
177.16391	7.3
181.12360	5.9
183.11737	8.7
185.13263	19.6
187.14799	33.4
189.16385	14.0
191.18022	10.8
193.15904	8.2
197.13315	8.6
199.14795	16.8
201.16461	13.7
203.17900	16.1
211.14874	6.1
213.16386	16.4
215.17982	13.1
217.19461	5.8
225.16420	6.1
229.19435	12.7
239.14919	43.8
240.15231	36.4
243.20932	4.8
255.21072	7.1
257.22659	7.3
265.19421	6.9
269.22598	25.9
273.18356	5.0
281.22656	5.3
324.54440	5.3
391.33273	6.5
403.33389	9.2
421.34433	29.6
439.30942	6.2
439.35843	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2687
Annotation	Briarellin Q
Peak:m/z	Relative Intensity
53.03948	0.5
55.01865	0.9
55.05513	5.2
56.96565	0.8
57.03440	2.8
57.59297	0.3
58.29881	0.4
59.04997	1.5
61.02924	0.6
65.03949	1.1
67.05508	34.5
69.03415	1.7
69.07072	2.8
70.18342	1.8
71.04997	2.2
73.02931	0.5
75.06381	0.4
75.35142	0.4
79.05504	5.2
81.03423	12.4
81.07060	9.9
83.04977	2.8
83.08617	5.8
85.02911	6.7
85.06532	1.6
85.22684	0.4
91.05484	8.1
93.07056	4.8
95.04974	5.0
95.08618	4.0
97.02876	1.2
97.06554	1.3
97.10194	0.9
98.20786	0.5
98.97577	1.3
105.07034	4.8
107.04960	0.8
107.08588	2.5
109.06548	1.3
109.10162	23.4
111.04463	0.7
111.08058	3.0
113.06017	1.0
117.07025	0.5
119.08576	5.0
121.06454	0.5
121.10137	2.9
125.09608	0.8
129.07014	1.8
131.08621	2.0
133.10158	2.9
135.11717	1.2
137.09615	1.9
145.10133	1.0
147.08034	0.8
147.11708	3.2
149.09650	1.4
155.10652	2.0
157.10155	2.7
159.11803	0.6
165.12762	0.5
173.11758	5.9
173.13213	0.7
175.11145	2.7
175.14775	0.5
191.14368	0.6
193.12274	11.2
211.13319	12.4
229.14377	1.6
243.08878	0.5
255.09052	1.2
267.09058	1.4
267.15897	1.1
273.10156	0.9
285.10129	1.0
309.11002	2.5
324.11633	0.7
369.19070	0.6
414.17166	0.8
421.25912	1.3
439.26791	100.0
440.27109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81167	1.0
52.52012	1.2
55.05497	1.5
57.03452	1.6
57.07072	1.1
61.70921	1.4
67.05507	7.3
69.07050	2.1
71.14539	1.5
71.14881	1.7
75.55523	0.9
75.55973	1.0
75.61858	1.1
79.05489	3.2
81.03391	1.8
81.07041	3.9
83.04991	1.9
83.08630	2.4
91.05470	2.4
93.07048	3.9
95.04940	1.9
95.08595	3.3
96.01891	7.4
97.02722	1.0
98.97604	1.4
101.85416	1.1
105.07038	2.8
107.08572	2.5
109.06528	1.3
109.10128	4.3
111.08070	1.5
117.94731	1.2
119.08583	3.3
121.10147	2.2
133.10127	2.4
135.11658	1.7
145.10107	2.0
147.11685	1.8
157.10031	1.7
169.04790	2.0
180.44756	1.3
188.02910	2.0
191.17975	1.4
203.17996	2.4
219.05298	1.4
255.12009	1.8
263.05911	1.7
269.13614	100.0
274.30865	1.1
285.10037	1.4
295.15192	1.4
318.63910	1.2
325.16031	3.5
349.16846	2.6
358.16351	2.3
367.17789	2.3
439.18497	8.6
439.24280	1.9
439.69354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.01866	4.1
55.05515	7.3
57.03431	3.5
57.07077	3.5
67.05510	17.5
68.99773	3.0
69.03432	14.1
69.07069	8.2
69.76495	3.0
69.76906	4.6
70.06598	3.0
71.04994	35.9
71.08606	2.0
73.02892	2.6
79.05493	6.8
81.03420	11.4
81.07056	63.8
83.04986	3.9
83.08619	2.7
85.02898	23.2
85.06546	22.6
86.09731	1.4
87.00831	11.7
91.05446	7.1
93.07041	4.6
95.04961	2.1
95.08607	52.6
97.02893	13.9
98.21429	1.9
99.04447	4.0
99.08104	4.8
105.01842	8.7
105.07037	12.1
107.04982	2.6
107.08600	6.4
109.02901	9.3
109.06534	2.4
109.10156	10.5
111.04454	2.4
111.08099	2.0
111.11678	1.5
117.07039	2.1
119.08587	16.0
121.06484	3.3
121.10149	4.2
123.08059	2.7
123.11642	1.7
127.03931	13.7
131.08594	10.3
132.56378	1.4
133.10115	12.4
135.08049	3.0
135.11656	2.9
137.05978	1.6
137.09624	1.9
137.13260	13.3
143.08575	3.3
145.05000	4.7
145.10152	5.6
147.11693	5.3
149.09650	2.6
155.14305	100.0
156.14630	1.6
158.10976	1.8
159.02881	2.5
159.11731	1.6
173.09592	1.5
173.13269	13.5
173.15378	51.3
175.14832	48.8
175.16299	3.1
191.14336	18.4
191.16438	18.8
231.05112	2.1
254.35852	1.5
326.96942	1.4
377.15359	1.8
439.18747	2.1
439.23575	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	439.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
54.38847	3.2
55.01867	7.7
55.05511	17.7
55.69584	2.3
57.03422	9.2
57.07069	10.0
59.07113	2.3
61.02922	4.2
67.05513	32.2
68.99793	4.1
69.03138	2.7
69.03436	27.3
69.07072	15.9
70.06583	7.3
71.01360	3.3
71.04998	58.2
71.52914	4.5
73.02911	6.1
79.05505	18.3
81.03421	33.2
81.07063	99.0
83.04985	15.0
83.08604	10.3
85.02918	46.7
85.06551	30.3
86.09704	7.0
87.00832	16.5
87.04485	3.9
91.05486	27.5
93.07051	21.3
95.04987	16.1
95.08619	88.2
97.02898	52.1
97.06520	12.3
97.10159	2.7
99.04452	11.6
99.08076	10.6
101.02404	4.0
105.01867	11.3
105.07039	40.4
107.04948	7.9
107.08607	31.3
108.07088	2.6
109.02885	34.5
109.06530	18.5
109.10172	31.9
110.07175	5.1
111.04452	10.0
111.08091	13.4
113.09635	3.7
114.20461	2.7
115.03914	4.0
117.07015	8.9
119.08591	43.5
120.08080	3.4
121.06494	9.1
121.10158	24.1
123.04433	4.9
123.08057	9.1
123.11721	8.7
125.05988	8.5
125.09588	5.8
127.03931	32.0
129.01868	3.3
129.07042	6.2
130.07814	2.9
131.08580	33.7
133.06462	5.3
133.10144	32.9
135.04424	3.1
135.08086	16.2
135.11671	9.6
137.05962	9.4
137.09596	4.2
137.13264	16.1
143.08551	8.8
145.04984	7.8
145.10149	16.3
147.08043	7.5
147.11710	14.7
149.05984	6.4
149.09616	9.0
149.13229	11.5
151.07549	9.3
151.11189	5.8
153.09100	13.2
155.14322	100.0
156.07626	3.6
157.10129	4.9
158.11002	3.0
159.02910	5.6
159.11734	6.7
161.06035	4.7
161.09569	6.4
161.13300	5.1
163.07474	3.0
163.11177	8.0
163.14812	5.3
165.09100	3.5
165.12762	5.0
167.07089	2.9
171.10124	7.4
171.11568	3.6
173.09605	3.1
173.13252	41.8
173.15392	42.4
175.11057	3.6
175.14842	91.6
179.14345	3.1
189.12802	4.8
191.07027	4.2
191.14307	40.3
191.16391	23.7
201.09135	3.3
201.12646	2.9
201.16582	3.3
203.07004	3.2
207.13815	4.2
209.15359	15.0
215.14200	3.4
225.14836	4.7
231.05038	4.0
231.13870	3.5
233.15276	3.8
242.14717	5.7
248.60591	2.5
259.20425	3.3
299.16537	6.9
313.33600	2.7
317.17392	8.0
332.78281	2.9
335.18439	2.7
403.17346	5.8
419.75348	2.9
421.18649	15.7
439.14835	34.3
439.20343	10.2
439.24982	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	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01867	4.3
55.05510	8.0
57.03433	4.2
57.07053	1.9
58.87050	1.1
61.02922	3.3
66.59702	1.0
67.05512	12.4
68.99752	1.5
69.03434	15.4
69.07063	11.5
69.10661	1.4
69.62622	4.3
69.63030	2.7
70.06593	4.2
71.04994	16.4
73.02917	2.9
79.05507	6.8
81.03420	13.2
81.07060	30.7
83.04990	2.9
83.08632	3.4
84.08125	1.7
85.02901	22.4
85.06542	27.3
86.09685	2.1
87.00827	9.0
87.04462	1.5
91.05485	13.5
93.07043	7.6
95.04967	3.2
95.08606	23.5
97.02887	18.4
97.06524	2.9
97.10141	2.2
98.97602	2.7
99.04453	5.0
99.08095	22.5
103.05417	1.2
105.01888	5.7
105.07037	31.0
107.08590	10.7
109.02870	10.7
109.06538	3.4
109.10166	7.5
111.08073	1.6
116.98583	1.8
117.07043	3.5
119.08588	39.6
121.06487	1.8
121.10140	8.9
123.08060	2.9
123.11718	1.9
125.09631	2.4
127.03928	15.6
129.01855	1.5
129.07037	2.6
131.08568	25.4
132.82347	1.2
133.10133	26.1
135.08044	4.1
135.11726	1.3
137.09602	2.2
137.13257	4.1
141.07031	1.2
142.07878	1.3
143.08519	2.9
144.09360	1.5
145.04939	6.0
145.10136	10.7
147.11702	15.8
149.09605	3.8
149.13310	1.5
153.09117	1.6
155.14285	14.0
157.10114	3.6
158.10931	2.9
159.02890	4.4
159.11755	3.0
161.13300	1.7
163.11191	1.3
165.12807	2.7
171.11711	2.8
173.09729	1.7
173.11768	2.5
173.13258	34.2
173.15375	11.5
175.14828	100.0
176.15128	2.0
179.14389	1.5
185.13281	4.3
189.12709	3.0
191.07031	1.7
191.14334	13.9
191.16414	8.3
196.35008	1.4
199.14867	1.9
201.16354	3.7
203.14284	1.8
209.15401	1.8
213.03906	1.8
231.05006	2.4
241.19748	1.9
259.20599	16.6
277.21548	1.8
283.65158	1.4
383.12857	1.5
421.18781	1.6
439.15555	5.9
439.20175	2.2
439.27374	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	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
54.49760	0.3
56.96561	0.4
57.03421	0.3
58.29067	0.3
61.02928	0.3
67.05503	0.5
69.03425	1.4
69.07069	0.6
69.42353	0.3
69.99723	1.2
70.06587	1.7
71.05005	0.3
72.08149	1.3
73.02902	0.4
81.07051	0.4
83.01100	0.4
83.84720	0.3
84.01878	0.4
84.04492	0.7
84.08154	0.8
85.02891	0.9
85.06525	0.5
86.09698	1.1
87.52956	0.3
91.05489	0.3
93.07032	0.9
95.01086	1.7
95.08615	0.4
96.01891	0.6
97.02905	0.7
98.97601	1.1
99.04453	0.9
100.98029	0.3
105.07017	0.6
107.08624	0.6
109.10195	0.5
110.07172	0.7
112.01340	0.7
113.02135	2.0
113.03484	0.5
116.98650	0.3
119.08578	0.5
120.08099	0.9
121.10167	0.5
126.02896	0.4
127.69224	0.4
129.10268	0.7
131.08546	0.3
136.07605	0.5
145.10112	0.6
149.09598	0.3
157.04759	1.3
173.13350	0.7
177.05525	0.4
185.04210	4.3
191.14348	1.1
201.03700	1.3
202.06017	3.5
203.05246	0.5
212.76074	0.3
224.05348	0.3
240.07098	0.3
242.14713	0.5
243.08598	0.6
245.10468	0.5
259.07947	0.4
277.11423	0.6
312.79346	0.3
332.07428	0.4
347.09698	0.4
349.45596	0.3
395.12918	0.6
438.52335	0.3
439.15833	100.0
440.16183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21119	2.3
53.03936	4.1
55.05513	17.8
57.07065	3.9
67.05511	29.3
69.07076	19.0
69.92883	8.1
69.93285	4.3
71.08619	2.7
79.05494	75.7
81.07056	40.5
83.08620	8.8
89.06035	25.8
91.05480	29.7
92.04241	2.4
93.07047	100.0
95.04974	6.1
95.08612	28.9
97.06550	3.0
97.10184	6.0
98.21456	3.6
105.07028	16.4
107.08595	50.2
109.10152	16.1
113.06046	4.2
117.06984	7.2
119.08567	15.3
121.10158	44.7
123.11788	4.5
129.06995	3.8
130.47290	2.3
131.08589	6.5
133.08636	15.5
133.10127	18.5
135.08116	2.5
135.11703	53.2
143.08521	5.2
145.10104	4.9
147.11678	14.9
149.09633	3.2
149.13271	32.5
159.11720	9.2
161.13242	8.8
163.11166	4.8
163.14807	9.8
171.11690	5.5
173.13335	5.3
175.14850	7.4
177.11221	2.5
177.12735	4.7
185.13263	4.7
189.12701	2.9
190.13042	2.6
209.15253	2.9
235.16797	3.5
239.14900	32.4
241.19556	8.3
259.20618	13.2
291.23196	96.4
311.48572	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	438.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.2
56.96556	2.9
57.03442	1.6
57.07077	5.7
58.06610	1.9
61.02925	2.7
65.03947	1.1
67.05509	7.6
69.03432	2.0
69.07084	1.9
70.06596	12.7
71.04978	1.0
73.02918	1.6
79.05499	4.8
81.03442	1.8
81.07069	4.7
83.04984	1.7
83.08646	2.1
84.04497	1.1
85.02908	4.3
88.07642	15.9
88.66492	1.0
91.03970	1.8
91.05496	3.6
93.07061	4.0
95.04991	1.7
95.08637	3.3
96.14964	0.9
97.02908	2.2
97.06523	2.3
97.10179	1.0
98.97591	2.4
102.09181	13.1
103.01848	1.2
105.07056	2.5
107.04987	2.1
107.08604	2.1
109.02978	1.0
109.10197	3.3
110.10520	1.8
115.57069	1.1
119.08630	2.3
119.78234	1.0
121.06519	1.2
121.10165	1.2
128.98550	1.5
147.11766	1.2
149.02353	42.5
149.03401	3.0
185.04904	1.3
193.04970	42.6
193.12326	1.4
199.06467	1.2
215.11284	1.5
227.12837	1.2
228.23253	42.3
237.07574	55.4
239.06020	1.3
242.02104	1.2
257.07016	2.5
285.10129	2.2
310.10062	2.8
316.12051	1.6
323.10950	3.5
324.11606	1.9
332.11426	3.2
383.30765	1.0
420.24600	1.3
438.28641	100.0
439.28326	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01855	1.6
55.05507	1.8
56.96550	0.9
57.03424	1.0
59.04986	1.3
61.02924	1.5
67.05505	1.0
68.99794	1.6
69.03432	7.6
69.07077	4.2
69.26911	7.1
70.62413	0.7
71.05007	1.2
71.08636	48.7
71.61704	0.8
73.02910	2.0
81.03425	8.0
81.07045	2.0
85.02439	1.4
85.02908	17.8
87.00837	7.7
91.05430	1.1
93.06998	0.8
97.02895	10.2
99.04456	4.4
99.08098	100.0
105.01858	6.8
109.02884	4.7
127.03907	9.2
129.12761	17.8
132.90906	0.7
138.50272	0.9
145.04945	3.9
146.55150	0.7
155.14288	3.3
159.02867	3.7
173.15384	68.3
213.03957	1.2
231.05061	1.6
262.51556	0.8
285.10025	1.2
300.71588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.96551	0.9
57.03440	0.4
57.07078	0.7
61.02904	1.2
61.19804	0.4
64.91271	0.4
65.03944	2.3
67.05489	1.5
69.03400	0.4
69.07055	0.4
71.53868	0.7
79.05484	1.3
81.03406	1.0
81.07038	1.4
83.08595	0.7
85.02882	0.9
88.07658	0.6
91.03970	0.4
91.05500	0.6
93.07043	0.8
95.04966	0.6
95.08609	1.1
97.02887	1.0
97.06549	0.5
98.97556	1.1
104.07089	0.7
105.07065	0.6
106.47237	0.5
107.08614	0.5
109.10153	1.0
119.08556	0.5
121.02837	0.9
121.10222	0.7
131.08609	0.4
133.10135	0.6
139.03917	0.7
149.02350	60.4
149.03409	3.5
150.02618	0.5
158.99556	0.5
193.04970	100.0
194.05344	0.7
202.74376	0.4
220.17622	0.4
224.08107	0.4
229.07486	0.9
240.09996	0.4
267.09082	0.8
269.10651	0.6
285.10117	1.0
316.11880	0.7
415.18317	0.9
438.28616	23.3
439.28558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07053	0.4
53.00290	0.5
53.03951	1.3
55.01871	2.1
55.05513	1.1
57.03432	1.3
58.47465	0.4
59.05005	1.1
61.02924	1.6
61.59550	0.4
63.57836	0.4
68.99780	0.9
69.03432	7.4
69.07073	4.1
69.46990	1.5
69.47415	1.8
71.04987	1.0
71.08635	49.8
73.02914	2.3
81.03416	6.6
81.07053	1.0
84.24238	0.4
85.02909	16.6
86.85452	0.5
87.00835	8.2
91.03951	0.8
95.08633	0.7
97.02904	10.4
97.06523	0.5
98.20763	0.7
99.04466	3.0
99.08096	100.0
105.01873	7.4
109.02878	6.6
115.03924	0.5
116.17127	0.4
117.01859	1.2
121.10149	0.5
125.33862	0.3
127.03915	10.7
129.01817	0.5
129.12769	11.7
145.04971	5.2
155.08568	0.6
155.14305	2.8
157.62491	0.4
159.02873	2.9
173.15379	69.6
221.38293	0.4
231.04974	1.8
249.05801	0.7
327.76849	0.4
350.75671	0.4
438.21378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05027	0.3
57.03426	0.4
58.06591	0.3
60.08170	6.6
63.70661	0.3
67.05496	1.1
69.03415	0.9
69.07078	0.4
70.06588	0.3
71.04977	0.3
71.07379	1.9
72.89896	0.2
79.05492	0.8
81.03402	0.7
81.07064	1.5
83.04982	0.3
84.35953	0.3
85.02893	1.3
85.06583	0.6
86.09713	28.7
91.05470	0.6
93.07040	0.9
95.04950	0.5
95.08602	0.5
97.02909	0.8
97.06565	0.3
98.20760	0.7
98.97562	0.4
98.98460	2.5
104.10738	3.1
105.01837	0.4
107.08582	1.1
109.02889	0.5
109.06451	0.3
109.10159	0.4
119.08534	0.5
121.02871	2.4
125.00015	20.2
127.03935	0.7
133.10147	0.5
135.11694	0.7
137.13203	0.4
139.03847	0.5
147.07755	0.2
176.83347	0.3
184.07349	100.0
185.07712	0.3
197.83798	0.3
229.03395	0.3
242.34755	0.2
255.15894	0.4
265.07111	0.5
403.71390	0.3
420.21353	1.2
438.22604	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	437.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20506	1.1
53.03924	2.8
53.25160	1.2
55.01873	7.4
55.05516	18.0
56.96558	4.2
57.03449	7.8
57.03695	1.8
57.07058	1.7
59.04987	4.3
61.02923	2.0
65.03938	3.8
66.03319	1.3
67.05508	100.0
69.03419	2.6
69.07072	8.9
70.06629	1.4
70.21054	4.3
71.04976	5.7
73.02921	1.6
79.05492	19.0
81.03423	11.2
81.07059	27.9
83.01338	3.9
83.04990	9.4
83.08628	11.3
85.02897	4.8
85.06534	3.7
88.65610	1.4
91.05473	16.5
93.07046	30.8
95.04954	6.6
95.08611	13.2
95.24418	1.2
97.02903	3.6
97.06518	8.4
97.10162	3.3
98.97592	4.7
99.04468	1.7
105.07027	11.2
107.04945	5.8
107.08614	15.1
109.06502	4.7
109.10158	75.4
110.97624	1.4
111.08076	3.9
112.99170	1.8
115.05446	1.6
117.07001	6.4
119.08586	16.9
121.06495	2.4
121.10163	6.6
123.08112	6.5
125.09648	2.6
127.03909	1.4
129.07005	2.1
131.00191	2.3
131.08571	4.2
133.10143	2.9
135.08101	2.4
135.11697	11.2
137.09647	3.4
143.08549	3.0
145.10133	14.9
149.09630	1.8
153.12738	4.0
155.08630	1.8
155.10649	4.9
157.10098	2.6
158.99664	1.7
159.11650	1.6
163.11174	21.9
170.99678	1.5
173.09590	2.6
173.10104	1.9
173.11757	25.8
173.13229	3.2
177.00661	1.6
181.12238	3.2
191.10692	1.8
201.14253	1.4
207.10425	1.4
209.11766	5.9
216.35951	1.4
227.12764	12.6
267.09134	2.1
269.17358	3.4
270.17828	4.2
275.14102	2.0
292.08121	1.4
356.16714	15.0
356.66785	3.2
369.64493	1.5
411.34891	1.5
437.19440	10.3
437.25287	80.3
437.69601	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	436.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.4
56.96550	10.3
57.03437	8.4
57.07067	3.4
61.02929	4.6
61.17681	3.5
67.05508	43.9
69.07063	9.0
71.04993	7.3
71.54595	5.5
73.02901	5.8
79.05500	20.8
81.03416	7.4
81.07054	34.0
83.04964	10.3
83.08609	9.7
85.02888	10.1
85.06528	4.0
91.05502	18.8
93.07032	22.6
95.04993	5.7
95.08585	13.9
97.02848	5.9
97.06512	3.9
97.10155	7.0
105.07016	11.3
107.04942	4.0
107.08581	13.5
109.10166	19.9
111.08086	6.1
117.07023	5.0
119.08556	4.2
121.06509	3.7
121.10123	7.3
131.08563	5.5
133.10139	13.0
135.08023	3.8
135.11688	7.4
145.10121	5.1
149.13271	8.6
157.10014	3.9
159.11688	14.0
173.11772	8.6
177.12735	16.8
229.14342	18.1
267.09009	14.5
269.17499	100.0
281.10663	8.5
285.10150	18.7
322.11642	11.5
324.11255	4.1
335.44751	4.6
351.25186	7.3
437.25339	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	437.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96821	0.5
56.96567	12.2
67.02679	0.6
69.25422	0.5
71.53861	0.7
71.95248	0.9
78.01772	0.5
81.07036	0.6
82.69688	0.6
84.96033	3.5
93.07037	0.8
93.83546	0.5
97.02922	0.7
97.96825	0.6
98.97588	100.0
107.08618	0.9
110.97558	5.1
112.99144	10.6
116.98628	23.0
119.08621	0.8
122.97585	1.3
124.95535	1.0
124.99131	15.3
128.98605	2.9
131.00174	6.1
131.08524	0.7
133.10097	0.7
134.99664	2.2
138.81467	0.5
138.97031	3.4
140.00220	2.0
140.98595	6.3
142.96523	0.7
143.00175	23.3
146.99670	1.1
149.01175	1.2
150.44409	0.6
152.98651	1.4
155.00127	0.7
156.98106	4.7
158.99661	15.2
159.00896	1.0
161.01222	10.1
166.01891	1.0
170.99673	16.3
173.01239	6.1
174.99197	2.2
177.00706	8.1
178.57191	0.6
179.02325	1.0
182.99672	19.4
183.01263	1.1
184.97719	0.8
185.01253	2.0
189.00697	12.2
191.02309	2.4
193.00348	0.6
194.99690	0.7
200.02368	0.7
201.00716	27.8
202.98753	1.3
203.02197	0.6
207.01816	2.3
212.02397	1.2
213.00751	5.5
215.02261	1.2
217.00273	0.8
219.01767	20.5
225.00735	1.3
231.01765	11.2
231.03918	0.8
233.03410	0.8
237.02905	1.5
242.03259	0.8
243.01831	2.3
244.99800	1.1
245.03285	0.9
249.02832	40.0
252.09438	1.0
261.02905	0.6
267.03897	9.1
272.04260	2.9
273.02951	1.9
275.04376	1.8
291.03870	34.4
299.00812	1.0
301.02414	2.1
303.03964	2.2
305.05450	24.7
309.05103	2.5
315.03787	3.5
317.01840	11.8
319.03619	0.7
332.06805	1.0
333.04944	5.0
335.02734	2.9
358.04471	0.9
358.98386	1.3
359.02847	21.9
377.04025	6.1
400.05371	0.6
437.06491	1.3
437.14175	3.3
437.20374	1.0
455.06943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.3
55.01860	7.7
55.05498	6.2
57.03427	4.0
61.02924	4.4
67.05493	4.8
68.99773	1.9
69.03429	18.8
69.07060	6.0
69.50349	10.9
71.04988	4.3
73.02919	12.2
75.75862	1.6
78.45687	1.5
79.05505	13.7
81.03420	20.7
81.07056	10.8
85.02908	58.0
87.00825	27.1
91.05466	17.4
93.07050	81.2
93.07642	4.2
95.04955	4.6
95.08611	12.1
97.02893	22.6
97.06503	8.9
99.04446	10.7
101.93693	2.1
105.01865	32.2
105.04508	2.1
105.07022	7.9
107.08597	100.0
109.02887	26.5
109.06507	2.3
109.10136	7.3
117.01820	3.2
120.92502	1.8
121.10133	2.9
123.06761	1.8
127.03922	46.8
129.01892	2.7
133.10170	1.9
135.11694	82.6
137.02400	1.9
137.13261	4.2
145.04970	30.0
149.59671	1.7
153.12738	6.1
159.02899	17.1
161.70190	2.0
163.11127	2.2
169.08600	6.3
177.03964	3.0
177.12698	1.9
184.07332	4.9
189.03976	2.3
213.03868	2.7
225.57463	1.7
227.12730	5.9
231.05011	12.4
249.06137	2.5
261.14743	2.1
279.27005	2.0
303.04974	15.7
304.05362	50.1
319.19934	2.0
365.16190	2.4
374.18610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
53.12405	3.0
53.61278	3.3
55.01869	7.8
55.05505	5.8
57.03424	11.2
59.83355	2.7
61.02917	4.3
67.05509	7.7
69.03422	27.6
69.07062	16.1
69.99005	5.7
70.06603	5.2
71.05000	17.0
72.08158	2.7
73.02920	3.1
79.05492	8.9
81.03407	26.1
81.07067	28.9
83.08600	4.0
84.04491	4.6
85.02436	5.0
85.02908	62.6
85.06529	4.6
86.09704	3.9
87.00829	40.2
91.05471	10.8
93.07049	28.6
95.04980	4.2
95.08599	14.1
97.02889	44.0
97.06541	4.9
98.97579	4.3
99.04456	9.2
105.01865	47.2
105.07031	14.6
107.08598	24.0
109.02876	16.2
109.06525	7.4
109.10149	13.4
111.11714	3.3
115.04006	3.6
116.01643	3.6
117.06989	4.7
119.08562	15.3
120.04509	3.7
121.06509	7.0
121.10117	6.9
123.11718	2.8
127.03920	48.4
130.04991	3.2
130.36545	3.5
131.00179	3.1
133.06490	5.0
133.10193	6.0
135.11703	37.0
137.13251	3.2
143.08780	3.0
144.08769	3.1
144.94147	2.9
145.04959	21.7
145.10121	5.9
150.19693	3.2
151.11191	5.9
153.12737	100.0
155.38948	2.9
159.02910	8.5
159.11653	4.1
165.12740	8.6
173.09546	3.6
177.12691	6.2
189.03949	4.4
191.10703	5.9
195.13855	9.7
201.08650	3.1
206.60794	3.2
207.13676	5.1
215.14339	3.3
231.05013	13.1
237.14853	6.7
239.16440	3.1
243.13881	10.3
249.06073	8.6
257.17563	4.3
261.14850	9.0
279.15872	4.0
290.13989	5.9
303.05121	4.6
304.05359	3.8
307.16711	3.5
330.89816	3.7
344.12888	3.2
347.14743	6.3
365.15796	10.1
383.16891	12.1
388.70963	3.6
401.17886	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.4
55.01875	5.9
55.05519	5.8
57.03423	3.7
57.07101	1.9
60.28097	1.8
61.02931	3.6
62.63175	2.2
62.76867	2.0
65.03942	2.4
67.05502	8.1
69.03437	15.6
69.07066	6.8
69.35140	14.7
70.06614	2.2
71.05008	5.1
73.02913	3.6
79.05495	12.6
81.03426	12.3
81.07054	21.5
85.02910	38.4
85.06538	3.0
87.00823	16.2
91.05483	15.8
93.07051	100.0
95.04984	5.9
95.08616	22.0
97.02894	17.3
97.06523	15.9
98.97596	5.0
99.04461	5.9
105.01875	20.7
105.07009	9.2
107.08603	96.9
108.04509	2.0
108.09000	2.0
109.02859	13.8
109.06509	2.7
109.10189	7.8
115.03950	2.8
119.08575	3.4
121.10155	3.8
127.03942	32.5
133.10133	3.5
135.11702	79.4
137.06059	1.7
137.13252	9.2
145.04977	15.2
153.12761	11.5
159.02910	8.5
163.11186	3.0
170.99554	2.2
189.03996	2.2
191.10741	2.2
231.05104	10.2
249.02817	1.8
249.06190	4.9
263.05759	2.0
277.65216	2.1
303.04883	2.0
304.05255	4.6
333.46320	1.9
383.17038	3.1
401.17828	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.7
55.05503	4.3
56.05030	4.1
57.03426	3.9
57.81674	2.3
60.32615	2.4
61.02925	3.0
67.05496	9.6
69.03439	12.4
69.07060	13.0
70.06579	5.5
71.04989	5.7
71.38112	3.3
74.02419	7.2
79.05476	9.7
81.03413	6.5
81.07044	18.7
81.37666	2.0
83.04962	4.8
85.02902	17.7
85.06528	7.5
86.09691	5.1
87.00820	6.4
91.05470	9.1
93.07053	27.5
95.04961	8.0
95.08609	18.4
97.02872	8.1
97.06525	12.8
98.97565	3.3
99.04446	10.5
99.83202	2.2
105.01854	3.6
105.07039	19.6
107.08592	49.0
109.02909	4.1
109.06509	8.2
111.08073	6.4
113.06007	4.5
115.03969	2.7
117.07025	2.3
119.08591	4.7
121.02827	3.9
121.06523	13.1
121.10138	21.1
123.08069	8.1
127.03889	8.4
127.07595	2.8
133.06459	2.7
133.10104	2.5
135.08029	4.4
135.11665	10.9
137.09552	2.5
137.18350	2.5
139.11200	4.2
145.04955	4.7
145.10138	15.2
147.04446	2.2
147.11699	4.6
147.97295	2.2
149.09636	12.7
151.07526	6.9
158.99626	2.3
163.11194	33.8
166.05362	7.3
167.10689	15.4
169.08607	90.8
173.09581	2.7
181.12198	12.5
185.11726	3.5
191.10654	17.7
195.02768	3.3
195.98576	2.5
209.11714	13.3
224.58269	3.6
227.12808	100.0
231.04977	3.4
232.03230	2.6
261.68225	2.5
303.05209	3.8
365.16043	4.2
383.17010	13.2
401.18048	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96209	1.1
53.03946	4.0
55.01873	2.5
55.05519	20.1
56.76520	1.1
57.07076	4.5
59.05006	1.2
60.64186	1.3
63.02399	1.2
65.03930	2.6
67.05510	45.6
69.06730	1.6
69.07075	16.9
70.69839	3.8
71.04994	3.2
79.05498	37.8
81.07063	42.8
83.04979	3.5
83.08611	7.1
85.06542	4.6
91.05486	54.2
93.07046	30.2
95.04981	5.1
95.08613	30.8
96.52634	1.1
97.06540	4.5
97.10182	5.7
103.05467	3.1
105.07035	57.5
107.05000	2.4
107.08606	16.3
109.06538	5.0
109.10159	9.6
111.04479	2.4
111.08125	3.1
115.05459	2.2
117.07021	23.2
119.08582	40.9
121.06512	4.3
121.10155	13.7
123.08080	3.9
123.11775	2.5
125.09589	2.3
128.06248	2.5
129.07008	14.5
130.07828	1.4
131.04959	1.5
131.08569	42.4
133.06560	2.1
133.10139	20.9
135.08087	3.7
135.11705	4.8
137.09653	3.6
141.06973	6.1
142.07803	2.5
143.08571	15.0
145.06467	1.7
145.10121	27.6
147.08038	3.5
147.11713	6.3
149.09631	5.0
149.13263	1.5
151.11229	2.7
153.07086	1.8
155.08582	10.3
156.09317	1.3
157.10141	12.8
159.08104	2.6
159.11674	11.5
161.09659	2.3
161.13182	2.6
163.11267	1.3
167.08589	2.3
169.10130	9.4
171.11694	10.0
173.13297	5.0
175.11145	2.1
175.14935	1.4
181.10213	6.4
183.11690	7.3
185.11835	1.4
185.13248	6.1
187.14813	4.2
195.11807	3.6
197.13226	7.6
199.11192	2.1
199.14853	3.8
201.12782	1.5
201.16342	2.1
205.16005	1.4
209.13286	4.1
211.14890	7.1
213.12801	1.7
215.14383	2.1
216.18941	1.2
223.14857	3.9
225.16380	1.7
227.14421	2.2
229.15843	2.4
233.15472	3.3
235.14691	1.3
237.16402	2.3
241.15930	2.6
243.17493	2.1
245.15317	1.8
247.17035	3.1
247.81964	1.4
255.17570	2.2
259.16934	2.4
261.18463	3.6
269.18961	3.0
273.18576	3.0
275.20132	2.8
287.20148	3.5
289.21680	1.8
303.23611	1.4
307.24136	1.4
314.52316	1.5
325.25290	7.4
335.23660	14.8
343.26398	11.7
353.20474	2.7
353.24738	33.6
357.28082	3.3
367.26462	3.1
371.25830	39.7
375.29111	2.2
385.27426	14.6
403.28445	100.0
404.28973	3.0
417.30008	11.0
435.31085	4.1
456.66422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	35.1
56.96577	11.3
57.03439	12.3
57.07060	8.6
67.05510	58.4
69.03425	27.1
69.07068	31.5
69.24409	71.3
71.04997	11.0
73.02892	8.5
79.05498	46.5
81.03445	40.5
81.07071	83.7
83.04991	24.4
83.08621	23.2
85.02908	29.5
85.06537	8.8
86.09745	9.3
91.05490	42.0
93.07048	52.9
95.04974	18.7
95.08616	97.6
97.02883	26.1
97.06541	53.7
97.10195	8.2
98.97569	15.9
99.04517	8.6
105.07043	53.5
107.04944	10.7
107.08621	36.6
109.02895	20.6
109.06527	20.6
109.10184	22.6
111.07963	8.1
119.08578	55.7
120.08121	10.1
121.10165	25.9
123.08090	18.4
127.03925	35.7
131.08582	28.4
133.10153	24.9
135.08069	30.3
135.11728	25.4
137.09665	7.7
139.07584	9.6
143.08577	10.5
145.02855	10.4
145.10121	26.1
147.08087	8.2
147.11731	11.8
151.07527	24.3
157.10168	13.0
159.11673	11.9
161.09708	10.3
161.13283	46.6
163.03882	22.4
169.10133	13.5
171.11646	9.6
173.13206	14.6
175.14822	15.7
177.05490	13.5
179.14328	33.6
185.13330	10.9
187.14914	10.3
197.15457	16.0
199.14909	8.3
201.12732	10.2
202.57083	6.6
209.15085	8.6
237.14865	9.6
239.17973	10.1
259.09702	10.8
287.16522	16.0
303.05081	26.4
305.17438	33.6
323.18481	100.0
341.19699	35.4
349.15610	8.7
354.14267	7.8
356.10428	7.4
389.28366	16.9
435.16083	22.9
435.28830	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1291
Annotation	Rumejaposide E
Peak:m/z	Relative Intensity
55.01866	2.6
55.05499	1.6
56.96554	1.3
57.03442	8.1
61.02909	1.5
65.03945	2.2
67.05502	5.8
68.99799	3.4
69.03418	4.4
69.07063	1.6
69.83005	4.6
70.06590	3.4
71.04983	1.9
72.08145	1.7
73.02899	1.4
79.05481	4.1
79.21624	1.0
81.03414	4.8
81.07047	4.9
83.04990	1.5
84.08165	2.1
85.02911	25.0
85.06564	1.6
86.09702	2.6
91.05491	28.2
92.05782	1.8
93.07063	2.0
95.04981	5.5
95.08599	3.9
97.02885	4.0
98.97594	3.2
99.04475	1.5
103.03938	1.9
105.07024	3.9
107.04955	3.7
107.08588	4.2
109.02859	6.4
109.10137	2.2
111.00804	1.5
116.85104	1.2
116.98629	1.4
117.03429	1.4
119.04939	3.1
119.08584	2.6
120.08134	1.8
121.02875	14.4
121.06474	1.6
121.10174	2.4
123.04443	4.6
123.08024	1.6
123.11726	1.4
125.02328	3.0
127.03936	3.7
131.08632	1.3
133.10139	2.3
135.04378	2.3
135.11646	1.8
137.02301	1.2
141.01846	2.5
145.02919	2.0
145.10141	1.2
147.04425	18.0
147.11734	1.7
149.02350	2.6
149.06001	1.3
149.09576	1.4
151.03906	2.0
153.01817	6.1
160.15579	1.1
163.03914	8.4
165.01854	47.9
167.07065	3.7
169.12421	1.7
171.02917	3.6
177.00519	1.4
177.01868	14.0
177.05453	4.0
181.05022	5.2
183.02902	14.7
187.03830	1.8
189.01904	6.7
191.03409	24.3
195.02908	100.0
201.16318	1.2
203.03383	3.9
205.04977	3.9
207.02884	3.5
209.00781	2.2
215.03340	3.9
217.01172	1.1
219.02946	38.9
231.02914	34.3
231.05209	1.8
233.04391	3.4
233.08195	2.3
237.02806	2.4
243.02888	8.7
249.03937	13.2
255.06194	1.3
255.11572	1.5
257.06897	3.7
261.03970	26.7
273.07611	6.1
273.16794	2.0
279.05020	6.9
285.07605	41.7
297.07797	15.5
303.04956	3.2
309.06757	1.7
315.05179	1.8
315.08636	21.6
323.39456	1.2
327.07532	4.4
339.08661	42.4
351.08630	22.6
363.08664	8.0
369.09604	6.1
381.09732	11.9
381.26245	2.1
399.10623	14.2
417.11429	2.6
435.22327	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	435.0925
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03430	0.6
58.44631	0.3
61.02921	1.4
65.03957	0.5
68.99823	0.4
69.03457	0.4
70.97812	0.5
70.98142	0.3
71.01339	0.5
73.02924	13.4
75.44216	0.3
85.02888	0.4
93.03414	0.4
97.02917	0.4
111.00803	1.0
115.03933	1.1
121.02884	1.3
137.02357	3.0
153.01830	4.2
161.05969	0.4
163.03963	0.5
165.01859	2.2
167.67842	0.3
183.02924	0.9
183.04373	0.3
184.22580	0.3
201.05490	1.6
219.06689	0.4
229.04967	4.3
230.96436	0.3
235.64691	0.3
247.06082	0.9
257.04459	2.9
274.04684	0.9
285.03973	1.2
303.05008	100.0
304.05234	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21367	1.9
55.05503	6.6
56.63370	2.4
57.07078	3.3
60.04531	30.8
67.05508	14.6
69.07068	31.1
70.58941	6.8
71.08637	2.3
79.05502	8.8
80.64954	2.4
81.07063	61.8
83.08625	5.6
89.39203	2.3
89.53475	2.1
91.05485	7.7
93.07042	29.5
94.24387	2.2
94.25057	2.9
95.08608	34.3
95.47224	2.2
97.10175	4.1
98.21484	2.5
105.07033	17.0
107.08590	26.1
108.08150	3.1
109.10150	20.5
109.99492	2.1
119.08575	17.7
121.10141	18.4
122.11456	2.5
123.11699	7.2
133.10167	13.7
135.11700	11.6
137.13301	3.8
145.10153	4.9
147.11728	10.7
149.13307	15.2
150.12892	2.7
157.10060	2.2
159.11710	8.7
160.11186	2.3
161.13269	9.6
163.14799	5.8
171.09161	2.2
172.02913	2.3
172.44745	2.1
173.13319	3.1
175.14850	6.4
177.16341	2.7
187.14867	5.1
189.16408	7.0
201.16426	5.8
203.18114	4.9
213.16437	2.8
215.18024	8.4
217.19559	3.6
229.19637	2.5
257.22702	4.3
271.24088	3.1
339.30380	13.2
354.86020	2.6
398.34174	48.7
416.31088	11.7
434.31870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01877	3.6
55.05504	13.4
56.96542	6.0
57.03426	12.0
67.05504	45.8
69.03422	3.5
69.07057	12.5
70.47269	10.1
71.04994	15.9
74.75219	2.5
79.05499	23.9
81.07056	32.8
83.04989	6.5
83.08604	7.4
85.02912	3.9
85.06492	3.3
91.05476	23.2
93.07045	31.8
95.04962	5.4
95.08613	15.5
97.06520	12.7
98.97575	6.8
105.07023	12.3
107.04953	3.1
107.08585	22.1
109.10161	27.8
111.08102	4.8
117.07024	7.0
119.08566	9.3
121.10143	11.7
125.09633	4.6
127.03878	3.4
129.06990	2.8
131.08563	12.7
133.06506	3.0
133.10112	9.1
135.11664	4.7
145.10156	6.2
147.11685	5.2
149.13260	14.8
159.11723	18.6
161.13188	5.6
170.04593	3.1
173.11705	13.5
177.12746	17.4
179.14250	3.7
185.01605	3.9
195.13777	5.7
229.14313	45.6
246.13789	3.2
262.40292	2.7
269.17477	100.0
275.20026	16.2
309.20480	6.3
349.23755	20.2
381.26456	10.9
392.65326	3.1
434.20740	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01870	8.7
55.05515	63.9
57.03433	18.6
59.05013	5.8
60.23279	2.7
65.03938	3.5
66.25397	2.6
67.05508	100.0
68.86256	2.7
69.03435	3.8
69.07066	13.1
69.48548	13.4
69.48969	7.7
71.04995	6.7
73.02894	4.5
79.05489	30.7
81.03427	15.7
81.07059	37.4
83.04981	10.7
83.08640	25.7
85.02920	25.7
85.06528	4.0
87.04483	11.2
91.05489	21.1
93.07029	17.9
95.04958	7.8
95.08605	19.1
97.02888	4.7
97.06537	5.2
97.10162	42.0
98.20730	3.9
98.97641	3.4
103.03941	10.1
105.07034	10.8
106.92512	2.8
107.08588	20.0
109.06531	6.4
109.10162	79.5
111.04451	6.7
111.08075	5.6
119.08585	15.0
120.08949	4.9
121.10172	5.7
123.08110	5.0
125.09628	45.7
128.86967	2.8
131.08580	6.1
135.11703	8.3
135.28702	2.7
137.09618	5.3
143.10701	8.6
145.10147	8.5
153.12778	8.0
155.10670	11.2
158.03772	3.1
163.11201	15.9
173.09506	5.3
173.11746	34.5
181.12292	4.8
191.10712	3.6
199.13406	5.7
209.11659	7.1
217.14313	8.0
227.12759	10.2
229.07523	4.6
229.14334	50.5
257.13904	12.5
268.28769	3.1
276.50107	2.9
283.15421	5.3
301.16550	17.9
319.17639	9.3
328.32230	6.9
399.23856	4.4
434.38272	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01861	3.2
55.05514	1.8
55.21018	0.9
56.96552	1.7
57.03442	9.8
61.02921	3.6
67.05473	1.4
69.03436	9.3
69.07070	1.8
70.06606	4.8
71.04992	1.6
72.08142	4.2
73.02915	3.3
74.06083	0.9
75.04484	6.0
81.03440	4.7
81.07057	2.2
81.82206	0.9
83.04986	1.3
84.04511	1.7
84.08113	3.2
85.02435	1.7
85.02910	21.3
86.09720	7.9
87.00815	3.1
87.04467	1.1
91.03941	1.2
91.05497	7.1
93.07031	3.4
95.04958	2.5
95.08568	1.2
97.02914	7.1
98.97576	3.1
99.04442	2.5
103.04813	1.9
103.05470	29.7
105.01840	3.4
105.03398	2.1
105.07030	4.0
107.04963	1.3
107.08593	2.6
109.02879	3.9
109.06549	1.3
110.03707	4.8
117.07004	1.3
119.04954	11.0
119.08569	2.3
120.08120	1.5
121.06489	6.2
122.03606	1.0
123.04430	11.8
124.05184	3.9
127.00806	1.1
127.03918	11.5
131.04938	100.0
133.06404	1.7
133.10080	1.2
135.04411	1.2
135.08034	3.3
136.05170	1.2
137.05986	19.9
138.06772	15.3
145.04961	6.3
145.06401	1.0
145.10258	1.1
147.04402	2.1
148.05185	12.9
149.05917	1.4
151.07561	16.2
158.99780	1.0
159.02968	1.2
161.05946	4.4
162.06866	1.6
163.07553	74.2
165.09100	1.3
166.06262	18.0
166.08595	1.9
170.99539	1.2
173.13252	2.0
175.07536	3.5
175.14825	5.7
179.06996	3.4
180.07823	1.8
181.08600	29.6
191.14357	2.1
193.08598	4.1
200.13847	1.6
201.09113	1.3
219.01805	1.4
219.10129	4.7
231.04900	2.1
235.09651	2.3
237.02539	1.1
237.11235	20.0
254.13466	1.4
255.12300	73.9
259.09720	1.2
277.10587	2.9
399.16449	2.1
434.16620	1.5
435.14313	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	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.1
55.01877	8.5
55.05493	1.3
57.03445	5.5
61.02931	5.2
65.03945	1.0
67.05492	0.9
68.99782	3.2
69.03432	31.4
69.07064	1.0
70.06601	5.3
71.05000	4.2
71.52128	0.9
71.52573	1.0
72.08152	2.3
73.02924	6.3
79.05513	1.4
81.03423	23.3
83.08619	1.1
84.04524	0.9
84.08135	1.3
85.02911	100.0
86.09686	2.7
87.00833	37.9
87.04452	2.1
91.03962	1.9
91.04975	1.5
91.05487	16.2
93.07051	1.6
95.04966	5.9
95.08626	1.0
97.02898	27.8
98.97590	2.0
99.04454	13.4
103.03954	1.8
105.01875	44.4
105.07011	2.8
107.04954	1.5
107.08560	1.2
108.04489	3.6
109.02888	28.4
109.06519	1.7
109.10133	1.0
113.07159	2.0
117.01862	4.0
119.04968	13.0
119.08569	1.2
120.08130	1.1
121.06475	2.1
121.10120	1.3
126.05504	1.7
127.03925	57.9
129.01849	4.3
129.07054	1.9
130.06462	1.1
131.08615	1.0
133.06477	3.1
133.10139	2.0
136.05188	2.1
136.07561	0.9
137.05968	4.0
138.09167	1.5
145.04956	28.9
145.10158	2.0
147.02881	2.1
149.02266	1.1
150.06732	1.3
151.07555	58.8
153.07039	1.1
155.36546	0.8
157.06451	3.2
159.02892	17.8
161.05995	2.5
163.07545	1.8
165.09120	14.5
166.08604	1.7
171.08067	1.7
173.13264	2.8
175.07512	6.1
177.04008	1.8
177.05449	2.0
179.07031	2.9
181.06589	0.9
189.03943	4.9
189.09158	3.6
191.14288	3.8
193.06856	1.9
193.08617	35.7
198.06708	1.2
199.07550	2.4
205.08542	1.9
209.15363	5.7
211.09677	3.7
213.03938	3.5
213.09053	1.8
217.08601	6.2
227.06752	1.2
230.06554	1.7
231.02786	1.0
231.05038	14.9
231.10197	2.9
235.07495	1.7
235.09656	16.5
241.08615	1.8
248.07748	3.0
249.06058	3.1
259.09705	15.6
266.08865	0.9
277.10739	34.4
363.10678	4.1
381.11795	8.4
411.75720	0.9
434.17093	1.4
434.23993	1.2
435.12457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.4
55.05513	29.3
56.96566	2.5
57.03441	5.0
57.07077	50.2
65.03944	2.9
67.05505	63.4
69.03416	2.3
69.07071	38.2
69.81529	12.7
71.04984	9.1
71.08636	13.2
79.05499	39.3
81.03403	4.7
81.07062	91.2
83.04970	7.7
83.08621	27.0
85.06559	4.6
85.10172	2.4
91.05474	18.9
93.06487	4.0
93.07051	57.4
95.04975	5.5
95.08607	70.9
97.06538	13.6
97.10167	15.0
98.98466	7.1
99.08083	3.4
105.07046	22.1
107.08596	36.0
109.06517	3.3
109.10155	33.3
111.08088	7.2
119.08595	17.0
121.10157	40.4
123.08072	3.3
123.11727	12.5
125.09608	2.8
127.03806	2.4
127.11193	16.2
131.08575	9.3
133.10149	11.3
135.11722	24.8
137.13246	6.4
137.42941	2.0
139.11194	2.6
141.12737	6.9
143.08464	2.7
145.10085	10.5
147.11717	4.3
149.13295	17.7
153.12697	2.4
159.11710	6.9
161.13252	5.9
163.14847	8.8
167.14336	5.1
169.15858	4.7
171.11719	2.9
173.13213	4.2
175.14821	4.5
177.16383	6.1
179.14337	2.9
181.15804	3.2
187.14799	3.7
191.17938	2.3
199.16919	3.5
201.16393	4.1
203.17937	3.5
205.19519	2.9
209.15370	4.2
211.16792	3.2
219.17426	6.0
221.18954	4.4
225.18480	4.5
227.16409	4.0
231.15855	15.1
235.20535	8.6
243.21101	3.4
245.17480	8.6
249.18410	7.2
261.22205	5.2
277.21722	4.0
287.05557	4.2
290.52966	2.2
313.83716	2.7
335.25565	10.5
343.30078	16.6
361.31036	100.0
362.31494	2.5
379.32077	91.2
397.33160	4.4
433.30734	2.6
438.65097	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22703	1.6
52.53023	1.7
53.03946	8.1
55.01859	7.8
55.05513	49.9
57.03431	4.2
57.07070	3.6
59.05011	1.7
65.03928	5.3
67.05508	72.1
69.03416	4.0
69.07068	37.5
69.82155	8.0
71.04985	4.3
77.57066	1.7
79.05495	70.4
81.03442	2.5
81.07058	89.7
83.04964	7.5
83.08615	30.6
85.06555	10.5
91.05482	92.5
93.07047	69.7
95.04996	9.3
95.08611	53.0
97.06533	12.1
97.10171	10.1
98.98458	4.0
99.08074	5.7
103.05447	8.4
105.04564	2.2
105.07035	76.4
107.04948	7.9
107.08593	33.1
109.06514	10.2
109.10162	16.2
111.08108	11.4
111.11700	2.5
115.05463	5.7
116.06242	4.0
117.07021	64.5
119.04961	2.5
119.08584	41.4
121.06520	13.6
121.10157	27.2
123.08068	11.2
123.11690	4.4
125.09674	9.3
128.06216	14.5
129.06036	4.0
129.07004	70.4
130.07773	3.2
131.04941	2.0
131.08572	100.0
133.06508	8.6
133.10147	31.2
135.08072	9.7
135.11694	13.4
137.09590	4.8
139.07530	4.2
139.11134	9.3
140.99460	3.4
141.07004	21.1
141.09157	2.6
142.07770	9.9
143.08568	57.6
143.09715	3.1
145.06470	11.7
145.10130	45.1
147.08070	10.1
147.11655	10.6
149.09631	12.0
149.13266	5.6
151.11188	3.4
154.07805	3.3
155.08566	45.5
156.09317	3.1
157.06493	4.3
157.08771	3.2
157.10123	35.0
159.08047	6.4
159.10268	3.5
159.11678	21.9
161.09624	5.5
161.13246	7.1
163.11172	6.0
165.06984	7.2
165.12846	2.1
167.08588	15.3
167.10701	2.1
168.09305	3.1
169.10126	27.7
170.10872	2.1
171.08064	5.7
171.11696	24.4
173.09605	4.6
173.11847	3.4
173.13266	7.1
175.11211	5.3
177.12746	10.4
178.07851	2.0
179.08557	8.3
180.09286	3.9
181.10110	18.9
182.10902	3.7
183.11696	15.6
185.09586	4.8
185.13298	12.4
187.11180	5.3
187.14795	3.6
189.11258	3.5
189.12740	4.8
191.08549	2.2
191.14349	1.7
192.09286	3.1
193.10184	8.3
193.11847	1.8
195.11681	19.7
197.09602	3.7
197.13261	13.3
199.11172	3.5
199.14847	5.9
201.12730	4.2
203.14339	2.8
205.10202	2.6
205.12248	2.6
206.10886	2.2
207.11769	8.9
207.13623	2.2
208.12544	1.9
209.13310	14.6
211.11151	2.8
211.14871	8.8
213.12773	9.9
213.16331	3.7
215.14297	6.1
217.12263	3.1
217.14235	2.7
221.13280	19.4
221.15276	2.0
223.14832	21.6
225.12721	2.7
225.16289	4.5
227.14363	4.7
229.15996	2.6
233.13271	3.3
233.15370	4.3
235.14928	11.3
235.16867	2.8
237.12698	3.1
237.16420	3.7
239.14317	11.8
239.18034	2.3
241.15819	7.9
245.15468	2.5
247.17003	10.0
249.16394	3.8
251.14270	2.5
252.87614	1.8
253.15906	7.7
255.13501	2.2
255.17361	2.3
257.15323	5.4
259.17133	3.9
261.14896	2.3
261.18567	3.5
261.22073	2.6
267.17474	2.6
271.16949	9.9
273.18582	2.4
275.20129	2.5
285.18494	5.5
289.18005	3.2
305.22565	4.5
315.20996	5.6
319.47256	2.1
323.23669	11.9
333.22125	33.1
335.25815	2.0
341.24762	12.9
351.23196	59.1
355.26221	4.4
365.24896	4.5
369.24286	37.4
373.27347	7.4
383.25757	15.1
401.26886	50.9
405.30106	2.4
415.28351	13.8
433.23798	2.6
433.29474	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	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.68303	1.3
55.05510	9.8
57.03443	10.1
57.07073	2.3
65.03943	1.7
66.49236	1.4
67.05510	43.4
69.07077	7.2
69.94655	3.8
69.95056	2.4
71.04968	1.8
77.95700	1.3
79.05077	2.2
79.05498	29.4
81.06593	2.8
81.07062	52.2
83.08604	5.5
91.05483	12.9
93.06503	2.5
93.07053	36.4
95.04958	2.4
95.08611	41.5
97.10174	2.6
98.98475	58.0
105.07031	12.0
107.08607	19.3
109.10168	20.0
117.07019	5.3
119.08585	10.3
121.10132	17.8
123.11726	8.7
131.08569	6.9
131.87773	1.6
132.59996	1.4
133.10136	9.6
135.11713	12.8
137.13240	3.4
145.10129	7.7
147.11667	6.3
149.13281	8.6
155.01089	7.8
159.11707	7.8
161.13251	5.3
163.14876	8.2
173.02136	13.0
173.13219	6.1
177.16302	1.6
187.14822	3.1
243.21030	15.2
261.22144	39.3
272.78900	1.6
279.23187	2.1
303.52554	1.4
317.24658	6.4
335.25818	100.0
336.26077	1.9
415.22327	1.8
452.40219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03947	1.9
55.05520	8.0
57.03445	8.4
57.07082	2.4
65.03960	1.9
67.05511	47.5
69.03433	1.4
69.07067	7.2
69.58060	7.7
71.04997	1.6
71.08630	2.3
77.03908	1.2
79.05494	32.0
81.07059	47.3
83.04963	1.9
83.08617	6.1
85.02893	2.4
85.10184	1.5
91.05489	18.0
91.27666	1.2
93.07050	36.4
95.04964	5.0
95.08613	34.5
97.06560	3.1
97.10166	2.8
98.21458	2.0
98.83861	1.0
98.98473	50.2
99.08066	1.7
101.04238	1.2
103.05469	1.4
105.04507	1.7
105.07042	16.2
107.08596	23.5
109.10165	16.6
113.09599	2.3
115.05515	1.1
117.07037	5.2
119.08598	12.6
121.06522	1.2
121.10146	18.5
123.08061	2.8
123.11730	5.1
125.09650	1.6
129.07007	2.5
131.08568	12.2
132.96477	1.4
133.10103	8.1
135.08055	1.9
135.11700	14.6
137.13266	3.2
138.88321	1.2
145.10114	7.9
147.11702	5.2
149.09660	2.7
149.13322	10.0
151.14876	1.9
155.00996	7.2
159.11717	7.1
161.13269	6.3
163.14807	9.2
171.11673	1.3
173.02116	10.9
173.13326	6.3
175.14886	2.9
177.16411	3.6
187.14838	4.6
201.16373	2.4
217.19562	1.5
219.21265	1.2
233.22653	2.9
243.21086	22.0
261.22156	43.9
279.22797	1.5
287.05579	1.5
291.22946	1.6
317.24750	7.2
335.25812	100.0
341.21289	3.6
410.61783	1.3
433.25879	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.9
56.05033	2.1
56.42498	0.6
56.96561	1.5
57.05819	1.4
60.04528	18.5
67.05489	0.6
69.03436	1.4
69.07076	1.1
70.02957	3.1
70.06607	4.3
70.19009	2.2
72.08160	100.0
73.08492	0.8
74.06084	2.8
81.03444	0.9
81.07038	1.0
81.65046	0.6
84.04498	4.7
84.08143	2.9
85.02914	2.7
86.09712	30.4
87.05614	1.4
88.03989	4.0
91.05437	0.8
97.02887	1.2
98.09725	1.0
98.97600	2.0
99.04431	0.8
101.07188	1.0
102.05557	3.6
104.07095	1.8
107.05014	0.7
109.06625	0.9
110.07153	0.8
111.05561	1.0
115.05035	1.6
116.07089	2.7
116.98644	1.1
119.04912	0.8
124.07587	1.1
127.03970	1.4
127.08686	2.7
127.12367	0.9
127.87178	0.8
128.20135	0.7
129.06644	1.2
129.10229	1.4
130.05017	5.5
132.10216	16.8
136.07550	1.0
140.07077	2.9
142.08670	1.0
143.11847	1.4
145.09682	1.0
147.04492	0.7
147.07677	1.0
150.05588	1.0
151.03967	1.2
155.08217	0.8
155.11844	1.1
156.07715	1.1
157.06110	1.9
158.08124	1.1
159.11302	1.4
162.03104	0.7
163.03894	9.3
167.08223	1.6
169.09706	6.9
173.09210	1.6
173.12872	10.9
175.07164	5.2
177.28859	0.7
178.92461	0.6
183.07808	0.8
183.11353	2.8
185.09305	1.6
187.10788	8.4
195.07730	1.5
201.12354	15.7
203.06631	5.2
203.10266	0.9
203.13904	2.6
213.08699	3.6
215.10281	18.6
215.12172	1.3
219.01718	0.8
219.13411	37.0
229.11865	1.7
233.11400	1.3
237.02820	1.5
249.10855	0.9
256.12766	1.0
266.11404	0.6
270.14603	1.0
284.12378	2.3
284.15930	0.6
294.14520	1.5
302.13385	8.4
312.15515	2.2
316.15054	5.4
334.16028	4.3
369.21310	3.6
389.17947	1.2
397.20804	2.2
415.21973	5.9
433.16699	35.5
442.19540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2298
Annotation	Asp-Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05518	12.2
56.05037	0.9
56.96565	0.6
57.05816	1.3
60.04532	23.6
68.05030	0.9
69.03431	1.0
69.76046	3.0
70.02971	1.7
70.06609	1.5
72.08162	100.0
74.06121	0.6
84.04533	1.3
84.08156	1.0
85.02912	1.4
85.04062	0.5
86.07764	0.5
86.09714	32.9
87.05585	1.4
88.04014	4.7
96.90435	0.6
97.02901	0.6
98.02452	0.7
98.09718	1.7
98.20808	0.6
98.97602	0.7
102.05580	1.5
105.07089	0.6
110.09718	1.5
111.05553	0.6
115.05028	2.7
116.03488	1.6
124.07611	1.1
126.02124	0.5
127.03953	1.7
127.04995	0.6
127.12359	1.1
128.10764	1.6
130.05023	6.8
132.10216	20.1
139.05003	0.9
140.03413	0.8
141.10297	0.6
142.08710	2.2
143.11853	1.8
147.04474	0.6
155.11835	2.4
156.07716	1.6
157.06128	2.5
163.03952	0.6
167.04559	0.6
169.09737	9.8
172.09781	0.5
173.12878	13.1
173.14291	1.0
175.07170	7.4
183.11292	3.6
184.07388	0.8
185.05681	0.9
187.10797	12.0
187.14409	0.7
191.14346	0.8
201.12347	19.2
203.06638	7.0
208.36885	0.6
215.10291	22.9
219.13416	50.4
229.11926	2.3
254.17728	0.5
256.13034	0.8
270.14633	2.4
280.88751	0.6
284.12390	3.3
298.14014	1.0
302.13507	10.6
316.15076	8.1
328.18753	0.9
334.16095	4.5
351.20630	1.1
369.21423	5.2
381.05106	0.6
387.22235	0.6
389.17920	1.4
397.21048	2.7
407.18613	0.7
415.21939	7.6
427.05420	0.7
433.11176	2.1
433.16962	7.1
433.22916	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03961	0.3
54.62471	0.2
55.01896	0.2
55.05513	0.4
57.01711	0.2
57.03439	3.6
58.16304	0.2
59.75016	0.2
61.02919	0.3
62.89705	0.2
68.92891	0.2
68.99785	0.5
70.07354	0.9
71.01331	0.2
71.04994	27.0
71.41537	0.2
73.02909	0.5
74.91372	0.2
75.04482	0.6
81.03455	0.2
83.04961	0.4
84.97023	0.2
85.02908	25.3
87.04475	0.6
107.04953	0.4
111.00804	0.7
111.04474	0.3
121.02870	2.1
129.04510	0.4
129.05478	6.4
133.02887	0.5
137.02342	0.6
147.04501	0.4
147.06564	1.2
153.01833	3.4
157.06456	0.3
165.01884	1.6
171.04375	0.3
183.02876	0.9
183.82788	0.3
185.06021	0.5
205.32771	0.2
213.05403	1.2
231.06613	0.5
241.04918	0.7
258.05240	1.0
259.05945	0.5
269.04404	0.2
287.05502	100.0
288.05847	1.4
299.05579	0.2
329.06528	0.4
379.92279	0.3
397.09018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	25.9
56.96567	36.1
57.03440	22.5
61.02932	18.2
67.05492	56.0
69.07060	43.0
70.25687	39.5
70.26060	27.6
70.65340	14.9
77.87685	14.0
79.05472	51.0
81.07067	100.0
85.02898	23.9
91.05530	21.4
93.07008	54.6
95.08606	70.4
98.97579	46.9
102.39738	13.6
105.07025	27.6
107.08588	35.6
109.10140	19.6
118.10915	14.6
119.08575	22.7
121.10113	18.4
131.08562	20.5
135.28705	14.7
159.11720	21.8
177.00787	20.3
202.06255	17.1
269.17468	65.1
333.08829	17.3
349.16684	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	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.4
56.96571	2.5
65.70216	2.1
67.05502	11.6
67.05797	1.9
69.03419	3.9
69.07063	2.5
70.06590	5.8
70.29552	1.8
71.23133	2.7
72.08160	16.3
79.05470	2.6
79.37003	2.1
81.07063	2.6
84.04521	2.8
84.08127	5.8
85.02900	4.7
85.06565	11.4
86.09719	14.1
87.09995	2.4
89.06039	2.7
91.05466	3.2
93.07034	4.3
95.04950	3.7
95.08614	51.0
97.02846	2.0
98.97597	2.6
105.07021	4.2
107.08586	4.7
113.06010	7.1
119.08566	9.4
121.10134	6.7
123.08063	19.2
124.07596	2.5
129.10260	3.8
132.08099	2.8
133.10091	2.2
135.11694	9.1
137.09685	2.7
143.11745	2.9
144.08066	4.5
147.11639	5.0
148.06088	2.4
149.09627	25.5
150.66068	2.4
159.09177	7.6
161.13264	9.6
163.11180	6.1
165.12746	6.3
171.11543	2.2
179.14363	4.4
189.12802	10.6
207.13812	100.0
225.14865	6.3
245.09212	6.4
262.11877	4.4
268.11237	2.4
383.52917	2.3
431.01788	2.2
432.18420	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	432.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05513	1.0
56.05061	0.7
56.96552	1.3
58.06589	0.7
59.10182	0.7
67.05500	2.9
67.46493	0.6
69.03419	2.4
69.07063	3.0
69.35658	0.8
70.06603	6.3
71.04993	1.2
71.54262	1.0
72.08150	5.7
73.02917	1.3
73.06541	1.3
79.05519	1.1
81.03416	1.0
81.07058	1.9
83.04978	0.7
84.04499	2.2
84.08136	4.4
85.02905	3.5
86.09707	13.3
87.04469	5.9
87.10036	3.8
88.07622	1.7
89.06033	100.0
91.05476	4.6
93.07040	1.7
95.08602	1.5
97.02892	1.5
97.06515	1.1
98.97572	2.9
99.04456	0.9
102.05560	0.8
105.07024	3.4
107.05029	0.9
107.07060	1.2
107.08577	1.9
110.07170	2.2
116.07074	1.6
116.98593	1.1
119.04932	0.9
119.08556	1.8
120.08118	1.9
121.10156	1.0
124.07565	1.4
125.05968	1.0
127.03871	1.2
129.10242	1.0
131.04967	0.9
131.07059	2.2
131.08580	2.3
133.06500	2.5
133.08606	66.1
135.08080	1.2
136.07620	1.2
137.06009	1.1
141.78535	0.8
143.11858	0.8
145.10127	1.4
147.04404	2.3
148.09717	1.0
149.09607	4.1
151.03972	1.0
157.10153	1.1
159.09227	1.6
170.08134	1.0
177.09659	1.5
177.11226	27.4
193.29723	0.8
209.52577	0.9
221.13788	5.1
236.60303	0.8
239.15021	1.6
252.16364	0.9
252.62654	1.1
261.14517	0.9
262.14456	1.0
264.09467	0.9
270.17065	3.5
283.17603	2.5
309.19208	1.4
319.43643	0.9
327.20114	3.1
371.22775	3.2
415.25366	30.4
432.13956	0.9
432.19080	8.0
432.37659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25589	0.6
56.83360	0.6
56.96557	0.8
63.80823	0.6
69.03431	0.8
69.07075	1.0
70.06576	1.6
70.31973	0.6
70.93731	1.4
72.08141	2.1
77.95633	0.6
79.05508	0.9
81.03385	0.6
84.04514	0.7
84.08152	3.1
85.02892	1.7
86.09711	4.5
87.08111	1.1
91.05458	0.7
93.07030	0.7
94.08641	0.6
98.97589	1.3
103.05469	6.4
105.09116	0.7
107.04955	1.2
120.08109	100.0
127.03880	1.0
129.10257	2.5
131.04939	2.3
149.05995	1.6
158.99586	0.6
163.03859	0.7
166.08647	55.5
270.13489	0.6
281.10333	1.5
432.12582	1.3
432.18298	0.6
432.24420	1.0
433.16843	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01873	11.4
55.05515	83.2
57.03420	3.1
57.07066	2.7
59.04990	2.4
65.03954	2.3
65.57792	1.5
66.33739	1.3
66.55519	1.3
67.05509	42.5
69.03447	7.3
69.07067	20.0
71.54922	2.3
73.06567	1.7
75.53719	1.6
79.05500	54.4
81.07060	38.4
83.04986	7.4
83.08623	36.9
85.06534	1.5
91.05487	22.9
93.07047	21.0
95.04961	2.8
95.08619	11.1
97.06563	1.5
97.10178	77.5
99.08073	1.7
101.06022	1.9
103.05498	7.6
103.06088	1.7
103.32279	1.6
105.03394	3.2
105.07046	15.7
107.04938	4.8
107.08607	43.4
109.06520	4.1
109.10151	14.2
111.08083	5.9
115.05456	4.0
117.07024	20.4
119.08601	12.1
121.06485	2.4
121.10133	5.2
123.08064	2.2
125.09641	90.3
128.06203	3.5
129.07025	16.7
129.94637	1.4
131.04939	7.3
131.08607	15.9
133.06552	9.7
133.10138	3.9
135.08066	27.0
137.09570	2.5
141.06981	6.7
143.08577	13.1
144.05756	2.0
145.06482	17.1
145.10101	4.7
147.08055	3.5
147.11632	1.6
149.09627	5.3
153.07059	2.5
153.09103	19.8
155.08563	8.0
157.06487	4.0
157.10138	6.1
157.12189	7.2
159.08076	6.8
159.11760	3.6
166.07834	2.2
167.08563	5.5
169.10152	9.3
171.08075	5.1
171.10202	3.9
171.11751	4.8
173.09686	2.4
173.11688	1.6
179.08603	2.1
181.10081	3.6
183.11685	3.7
185.09662	2.9
185.11723	2.3
185.13287	4.1
187.14792	3.6
193.10146	2.5
195.08153	1.8
195.11777	5.5
197.13297	4.6
199.11224	2.3
200.40219	1.7
203.12799	77.9
209.09433	1.3
209.13266	2.0
211.14909	1.9
213.12794	5.8
215.14331	41.6
221.13307	3.0
223.11263	2.2
225.12677	3.0
225.25980	1.4
227.37212	1.6
233.13257	1.7
235.14969	1.9
237.12717	3.6
239.14439	4.2
241.12321	6.5
245.15401	3.0
247.16904	8.5
251.14392	3.0
255.13921	3.0
257.15411	2.3
273.14865	9.8
274.69714	1.7
289.17789	1.6
291.15866	2.3
303.21185	1.9
314.15344	1.6
321.22076	3.4
331.20636	3.4
339.23154	3.9
349.17166	2.4
349.21564	22.0
367.22708	34.0
371.25946	3.6
381.24252	12.2
399.25354	80.9
431.27945	100.0
432.28168	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
53.66926	1.1
55.01860	4.3
55.05516	36.3
57.03432	6.0
57.07061	3.5
65.03939	1.3
66.27545	1.0
67.05509	31.6
69.03446	2.6
69.07073	11.4
70.11364	2.8
70.11758	2.2
71.04983	1.2
72.99811	1.2
79.05498	27.9
81.03439	1.7
81.07061	25.1
83.04993	8.8
83.08620	14.2
85.06537	1.2
91.05495	11.7
93.07046	13.9
95.04972	2.5
95.08615	12.0
97.06532	2.3
97.10175	31.6
98.20818	1.4
99.08085	1.3
103.05463	4.3
105.03410	1.6
105.07053	7.6
107.04942	1.8
107.08599	22.2
109.06547	1.6
109.10179	10.1
109.13261	1.2
109.53053	1.1
111.04424	3.7
111.08069	3.3
113.00026	100.0
115.05460	3.2
117.07040	8.7
119.08575	5.2
121.06492	1.5
121.10155	4.1
123.08067	1.7
123.11674	2.3
125.09641	34.9
129.06970	8.5
131.04900	2.7
131.08588	7.0
133.10141	3.5
135.08075	11.1
135.11681	1.1
141.06975	3.3
143.04881	1.2
143.08537	5.4
145.06483	4.8
145.10123	1.9
147.11682	2.3
149.09546	1.7
153.05215	3.8
153.07079	1.4
153.09093	7.5
155.08554	3.1
157.10168	1.9
157.12259	2.7
167.08588	2.5
169.02623	99.8
169.10155	2.5
171.10214	1.9
171.11653	2.6
181.10208	1.4
183.11729	1.6
185.13249	1.2
193.12216	1.5
195.11676	2.4
197.13239	3.9
203.10889	1.5
203.12787	28.3
205.10226	1.5
213.12793	3.5
215.14328	19.1
223.11116	1.3
225.12862	1.4
241.12207	2.1
245.15292	2.4
245.22560	1.7
247.16974	2.5
251.14262	1.2
263.23657	6.5
273.14844	3.2
276.89868	1.2
281.33685	1.3
285.18625	1.4
321.22122	2.2
331.20465	2.4
339.23099	1.6
349.21573	8.4
367.22723	18.5
381.24310	10.3
399.25311	44.2
414.46176	1.2
431.27844	21.2
431.32755	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01870	2.0
55.05511	8.7
56.96553	1.5
57.03436	10.9
57.07064	2.9
61.02925	1.3
67.05186	1.6
67.05508	20.1
69.03426	1.8
69.07062	7.0
69.25312	1.5
71.04993	4.0
79.05498	25.1
81.03429	1.7
81.07063	29.7
83.04967	2.3
83.08607	3.9
85.02894	1.9
85.06544	2.1
86.09711	1.8
88.52609	1.5
89.02070	1.4
91.05486	33.5
93.06487	2.1
93.07049	35.0
93.64846	1.6
95.04945	2.6
95.08615	19.4
97.06518	3.0
98.98476	76.8
99.08081	1.8
103.03918	2.9
105.04560	1.4
105.07035	40.9
107.07976	2.1
107.08606	21.5
108.68447	1.6
109.06498	1.5
109.10194	7.3
110.19852	1.2
111.08078	2.1
116.99500	1.3
117.07034	8.1
119.08591	43.3
121.10159	12.9
122.97627	1.2
123.11703	3.7
129.05464	2.7
129.07024	6.4
131.08571	17.2
133.10141	26.6
135.11700	15.6
143.08574	7.4
145.10133	13.0
147.11694	27.9
149.09630	1.6
149.13293	8.8
150.49864	1.5
155.01016	2.0
157.10159	9.1
159.11708	14.6
161.09564	2.7
161.12012	2.4
161.13280	35.8
163.14799	4.0
171.11671	9.1
173.02133	14.0
173.13264	10.0
175.11230	2.4
175.14841	23.9
177.12712	2.2
185.13263	10.7
187.14853	2.9
199.14861	6.8
201.16432	1.9
206.07689	1.3
213.16537	2.1
215.17998	5.5
217.19466	6.5
229.03729	1.5
229.07643	1.4
231.21123	9.8
237.69615	1.5
241.19539	45.9
243.21236	1.9
259.20596	78.2
275.76254	1.3
277.21585	4.6
315.23132	4.9
333.24252	100.0
384.25568	1.6
394.93890	1.5
413.20651	4.1
431.18079	11.0
431.26901	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	431.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.96553	0.7
57.03433	0.7
61.02943	0.5
67.05498	1.1
69.03423	1.2
69.07074	0.9
70.06576	1.4
71.04982	1.5
71.54045	0.5
72.08146	3.0
79.05489	1.1
81.03414	1.3
81.07043	1.4
83.04968	0.9
84.02857	0.4
84.04519	0.6
84.08143	2.4
85.02898	2.2
86.09220	0.7
86.09711	8.2
91.05475	0.9
93.07035	1.1
95.04964	0.7
95.08599	0.7
97.02914	1.1
97.06567	0.9
98.97597	1.0
99.04427	0.7
99.90376	0.4
105.07040	0.9
107.04980	0.7
107.08569	1.1
109.02876	0.6
109.06496	0.6
109.10188	0.7
110.09697	0.7
119.08636	0.9
120.08093	0.4
121.02863	1.1
121.10193	0.8
123.08076	1.3
127.03922	0.8
128.10750	1.1
130.08578	0.5
131.08556	0.7
132.10248	0.4
133.10127	0.7
135.11592	0.4
136.07597	0.7
137.09659	0.5
143.11795	1.3
145.10051	0.6
153.01837	0.7
159.11642	0.5
163.11211	0.4
164.07042	0.7
165.12759	0.4
173.12915	1.2
183.10100	0.5
183.13737	1.0
201.12361	2.1
203.05281	0.9
203.14104	0.5
219.13478	0.8
221.15437	0.7
229.11862	0.9
231.16951	0.4
269.13602	1.5
269.17444	0.4
287.05530	2.0
288.05972	0.5
299.05518	3.0
300.15344	0.4
311.05008	0.4
317.06046	2.2
325.07004	1.0
326.06613	2.6
337.57434	0.8
343.01257	0.9
353.06494	3.1
361.02408	3.4
379.03601	0.5
389.37094	0.5
395.07147	0.4
395.29596	0.5
413.08902	0.5
431.18896	100.0
432.19513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75668	0.4
54.98955	0.4
55.01866	0.5
55.05504	0.9
57.03431	0.7
60.04521	0.5
61.47457	0.4
67.05496	1.3
69.03428	0.9
70.06576	1.1
71.04976	1.1
71.54234	0.6
72.08147	3.2
73.02919	0.5
79.05483	0.9
81.03400	1.0
81.07052	1.8
81.67773	0.5
83.04997	0.8
84.08125	2.7
85.02899	2.0
86.09702	7.1
91.05470	0.8
91.71799	0.4
92.98505	0.5
93.07040	1.2
95.04951	0.5
95.08585	1.0
97.02876	1.2
97.06531	0.5
98.97581	3.0
105.07037	1.7
107.08564	1.1
109.02884	0.6
109.10124	0.9
110.97627	0.5
113.09421	0.4
116.98599	0.6
119.08587	1.1
121.06525	0.5
121.10197	0.6
123.08006	0.6
127.03873	0.5
127.07463	0.4
128.10693	0.5
129.10263	0.7
131.08673	0.6
132.10265	0.6
133.10144	0.7
136.07590	0.8
143.11792	0.8
147.11670	1.0
153.72084	0.4
158.99677	1.3
164.07071	0.9
165.09146	0.8
167.07063	0.4
171.11356	0.7
173.12915	1.4
177.00630	0.5
183.13979	0.7
185.23251	0.4
201.12317	1.7
203.05280	1.1
203.14253	0.4
219.13266	0.4
229.11824	0.5
231.17029	1.2
234.12238	0.5
243.05449	0.6
251.16539	0.6
259.07880	0.7
269.10678	0.6
269.13620	1.3
287.05554	2.1
299.05542	2.2
300.19244	0.6
311.05450	0.6
317.06091	2.1
320.53610	0.5
325.06952	1.0
325.10745	0.6
326.06522	1.9
326.56662	0.6
332.16785	0.4
337.57300	0.8
343.01044	0.7
353.06528	2.7
361.02335	3.0
389.14722	0.7
413.08493	0.6
431.18875	100.0
432.19089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64983	0.2
55.01863	0.3
55.05508	0.5
56.96578	0.2
57.03435	0.3
57.07072	0.3
57.35461	0.2
66.36600	0.2
66.85079	0.2
67.01859	0.2
67.05510	0.8
68.99798	0.6
69.03416	0.7
69.07059	0.5
71.04990	0.3
71.50115	0.2
71.54126	0.4
73.02922	12.5
79.05488	0.7
81.03424	0.8
81.07053	1.1
81.54803	0.2
83.04990	0.5
83.08601	0.3
85.02907	0.9
87.04480	1.1
91.05475	0.5
93.07057	0.6
94.41776	0.2
95.04971	0.4
95.08580	0.5
97.02889	0.4
97.06543	0.4
98.97558	0.3
99.04458	0.5
99.08072	0.3
105.03384	0.4
105.07042	0.6
107.04955	0.3
107.08607	0.5
109.02859	0.5
109.06477	0.3
109.10184	0.3
111.00805	0.6
111.04444	0.3
116.98563	0.2
117.07001	0.3
119.08571	0.7
121.02876	2.7
121.10144	0.5
123.65578	0.2
127.03866	0.3
128.33652	0.2
129.06978	0.3
130.60187	0.2
130.80122	0.3
131.08563	0.3
132.43364	0.2
133.02870	0.6
133.10121	0.4
137.02335	0.6
137.05916	0.2
145.10141	0.5
147.04436	0.6
147.11684	0.3
149.09547	0.3
152.55730	0.2
153.01851	4.5
155.08621	0.3
157.06480	0.5
157.10162	0.3
165.01843	1.6
175.14845	0.2
183.02931	0.9
185.05992	0.4
201.00513	0.2
213.05557	1.4
219.01653	0.2
221.19016	0.3
229.04984	0.3
231.06592	0.5
241.05058	0.9
257.04501	0.4
258.05286	1.3
259.06110	0.3
263.50235	0.2
269.04544	0.3
280.14127	0.2
286.04764	0.5
287.05511	100.0
288.05780	1.3
341.10220	0.6
355.07867	0.3
399.11047	0.4
411.63489	0.3
431.19183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01884	8.6
55.05493	2.7
56.96573	1.7
57.03442	22.0
57.07082	14.3
58.35713	1.6
59.05019	1.8
60.04524	1.6
61.02928	19.3
63.04498	19.8
67.05491	4.9
68.02872	1.5
69.03432	36.2
69.07048	4.3
70.06599	27.9
71.01350	4.2
71.04992	2.5
71.06922	2.3
71.52222	2.0
72.08154	11.4
73.02921	85.7
79.05475	4.0
80.05816	2.1
81.03409	12.4
81.07075	3.9
82.03727	1.6
83.04957	2.7
84.04498	3.4
84.08123	4.0
85.02911	75.5
85.06522	5.1
86.09705	25.4
87.04472	5.0
87.08088	1.6
88.03999	2.6
89.83111	1.6
91.03961	4.4
91.05473	5.5
93.07053	4.7
95.04974	10.4
95.08620	3.4
96.04489	2.7
96.05277	2.5
96.42565	1.4
97.02899	64.4
97.06503	2.7
98.97594	2.8
99.04449	5.8
101.02399	1.5
101.09652	1.6
103.03938	3.3
105.03416	2.3
105.07024	5.6
107.04948	2.6
107.08606	1.8
108.08888	2.4
109.02897	9.4
109.06510	2.8
109.10163	2.6
114.05543	1.8
115.03934	23.8
116.07095	11.8
117.07439	3.5
119.10705	100.0
121.06516	1.9
121.10131	4.5
123.04414	3.3
127.03924	25.0
129.10255	1.7
133.04028	2.7
133.04970	33.4
133.06502	2.2
133.10100	2.3
143.11835	2.3
145.04968	34.6
145.10088	2.5
147.04449	2.0
147.07852	2.1
147.11679	1.7
150.07596	2.8
156.93652	1.5
163.06024	12.2
165.12791	1.5
173.13118	2.0
193.05034	2.7
195.08032	4.3
196.08418	3.7
215.12778	2.7
223.05891	7.0
223.09448	1.9
224.07780	5.5
229.15419	2.8
235.13417	2.8
236.13675	6.0
240.10162	2.7
241.07054	9.0
241.10580	4.4
251.14882	6.9
259.08078	13.2
268.09531	2.6
268.16150	3.2
269.10104	6.3
274.15277	2.5
277.09052	1.9
281.15939	3.2
286.10721	4.2
287.10992	7.1
295.10233	4.9
302.14554	2.2
310.17273	4.6
315.99597	1.6
376.18317	4.0
377.07968	1.5
394.19388	2.2
395.13000	3.8
412.20370	2.5
430.16479	3.4
430.21310	17.6
430.27496	8.0
431.18976	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	430.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
58.95852	0.3
60.04524	0.3
69.03418	0.5
69.54264	1.7
70.06594	2.6
71.06918	0.5
72.08156	1.6
81.07071	0.3
84.04517	0.6
84.08135	1.9
85.02887	1.3
86.09230	0.4
86.09711	3.8
90.05527	0.5
95.59332	0.3
97.02896	0.4
98.21486	0.7
98.97583	0.4
110.05799	1.1
121.06486	0.4
123.00565	0.4
127.03918	0.4
129.10249	1.5
130.05049	0.6
143.00140	0.3
143.11823	0.8
147.07623	1.2
150.46671	0.3
163.03906	0.8
167.26329	0.3
171.11346	0.5
179.03409	2.3
180.03703	0.3
184.12383	0.3
210.07416	1.2
217.11937	0.5
218.12027	0.5
230.38925	0.4
260.16153	0.9
261.09470	2.0
312.10486	0.4
354.11523	0.4
415.67163	0.4
430.16849	100.0
431.16904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03948	6.3
55.01872	6.6
55.05511	22.4
56.23453	2.7
57.03439	30.3
61.02928	39.1
64.46986	2.7
65.03933	3.6
67.05508	30.9
69.03436	24.0
69.07073	6.8
70.82272	7.1
71.01362	7.0
71.04990	6.5
73.02934	21.3
74.51180	2.7
79.05492	36.1
81.03419	100.0
81.07052	26.4
83.04986	9.4
83.08626	20.1
85.02905	48.7
85.40863	2.7
87.00826	3.7
87.04438	3.3
89.06034	4.3
90.06329	3.2
91.03962	19.7
91.05487	28.9
92.10262	3.5
93.07035	23.1
95.01346	7.0
95.04969	88.6
95.08616	13.1
97.02894	42.2
97.06511	4.5
97.10181	7.1
98.48915	2.9
99.04406	7.0
101.02392	6.9
103.03950	12.0
103.05497	4.9
105.04443	2.6
105.07059	20.8
107.04953	23.4
107.07080	5.5
107.08608	18.8
109.02891	19.9
109.06521	7.2
109.10172	4.4
111.04457	10.9
111.08077	6.6
117.07001	14.2
119.04953	7.1
119.08561	23.8
121.06522	16.5
121.10155	13.3
123.04433	52.8
123.08062	7.1
125.09643	6.5
127.03924	17.9
129.05479	3.0
129.07021	15.3
131.08571	18.5
133.06546	6.3
133.10149	7.7
135.04439	5.5
135.08055	8.4
135.11729	6.3
137.06006	7.5
143.08592	6.4
145.04997	4.0
145.06490	6.1
145.10150	19.3
147.04420	16.3
147.08038	10.8
147.11682	10.1
149.06023	4.8
149.09573	5.0
153.09109	6.3
155.08508	3.1
157.10162	9.2
161.06013	7.9
161.09639	4.4
163.11201	27.0
163.13261	14.9
164.13625	16.8
171.11705	7.2
173.05959	3.1
173.09653	10.1
175.11201	8.9
177.12701	4.0
183.06564	4.2
189.05515	8.9
189.12737	7.6
191.10693	5.5
193.12228	39.9
205.12259	8.3
207.13783	8.5
211.13254	22.5
217.12259	10.0
223.13322	8.8
231.13895	3.8
235.13310	95.5
249.14871	9.9
253.14427	10.7
259.13345	16.3
267.15906	46.8
267.18625	3.8
273.14893	33.9
277.14368	10.4
283.13553	3.9
285.17062	3.9
289.14288	6.5
301.14334	34.5
309.16971	52.2
319.15460	9.0
333.16812	5.0
351.18030	5.6
363.17978	6.0
375.18005	28.0
393.19293	20.8
411.20120	16.9
429.21280	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.08924	2.8
53.03938	9.7
55.01857	10.5
55.05519	20.9
57.03440	24.8
59.86111	3.1
61.02934	22.4
67.05509	36.8
69.03425	19.5
69.07067	5.3
70.58166	8.9
71.01336	4.3
71.04971	7.1
73.02916	13.1
79.05501	37.1
81.03421	87.4
81.07066	29.5
83.04989	15.1
83.08626	18.4
85.02915	33.3
86.09717	4.5
87.04445	2.8
91.03947	12.2
91.05481	32.6
93.07053	27.8
95.01305	4.0
95.04374	6.5
95.04969	100.0
95.08603	16.4
97.02908	35.2
97.06509	5.1
97.10148	9.7
99.04463	7.8
101.02357	6.9
103.03918	13.8
105.07040	21.0
107.04967	27.5
107.08607	22.5
109.02893	24.4
109.06548	15.4
109.10126	5.0
111.04437	10.7
111.08071	8.1
117.07017	10.7
119.04934	4.1
119.08603	17.3
121.06509	15.0
121.10113	11.0
123.04434	47.6
123.08085	6.4
127.03922	12.7
128.06174	3.5
129.07016	11.6
131.04903	4.5
131.08562	13.5
133.06482	7.9
133.10104	9.3
134.64023	3.5
135.08047	6.4
135.11673	11.9
137.05986	5.6
138.77013	3.0
143.08516	7.9
145.04991	5.2
145.06560	3.8
145.10132	16.8
147.04408	17.5
147.08029	10.2
147.11688	13.4
149.06009	4.3
149.09627	8.0
153.09091	6.0
157.06412	4.9
157.10127	7.4
159.06694	3.2
159.08032	3.7
159.11705	6.2
161.05988	6.3
161.09662	4.2
161.13281	4.0
163.11235	27.7
165.12730	4.3
171.04498	3.3
171.11685	8.3
173.09581	9.6
175.11200	5.6
177.12762	3.5
187.11195	3.0
189.05426	9.3
189.11232	3.5
189.12718	13.0
191.10675	3.8
193.12241	32.8
199.11032	3.1
205.12169	6.0
207.13869	7.9
211.13231	22.8
217.12238	8.5
223.13451	3.8
223.63960	3.2
231.13744	3.7
235.13313	85.4
237.14474	7.5
246.14827	17.0
246.65073	4.5
247.13271	7.6
249.14842	9.6
253.14429	7.1
255.13892	5.6
259.13229	17.9
261.14996	4.1
267.15955	31.7
273.14868	41.8
277.14438	11.0
283.13391	4.6
285.16687	3.8
289.14410	7.2
291.15790	4.7
301.14395	36.3
309.16989	47.8
319.15350	8.2
332.43658	3.2
333.16980	6.0
337.16284	5.2
351.18103	4.9
375.18103	27.1
393.19077	21.1
411.20245	16.2
429.21188	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	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75128	1.7
52.74772	2.0
53.03957	10.6
53.91327	1.7
55.01873	3.5
55.05517	15.6
56.96572	2.7
57.03445	18.8
61.02919	5.0
67.05513	27.0
67.90727	2.5
69.03432	32.9
69.07096	9.8
70.15184	6.7
71.01352	2.7
71.05006	7.7
73.02950	5.0
78.18092	1.8
79.05497	24.5
81.03426	96.6
81.07060	26.4
83.04984	26.5
83.08623	30.9
85.02914	25.0
85.06554	2.2
87.04478	2.3
91.03963	2.2
91.05475	25.5
91.05925	2.0
93.07049	18.3
95.04982	27.8
95.08603	12.0
97.02902	58.7
97.06567	6.8
97.10191	7.1
98.21420	3.0
98.97626	4.4
98.98474	4.2
99.04472	7.1
101.02405	2.3
103.03987	3.1
105.07031	20.2
107.04977	7.5
107.08617	8.3
109.02892	10.9
109.06557	4.9
109.10197	7.2
111.04451	10.5
111.08100	11.4
115.05479	2.0
117.07041	5.7
119.08601	17.7
121.06551	4.0
121.10166	12.7
123.04391	2.7
123.08120	4.5
123.11761	3.1
125.09639	4.8
127.03946	16.9
129.05521	6.6
129.07021	10.7
131.08589	15.9
133.06493	2.3
133.10110	10.1
135.11754	4.5
137.09612	2.5
139.03902	2.5
145.10164	6.8
147.11679	20.9
149.02441	2.5
149.09685	7.8
157.10101	16.1
163.03928	3.9
163.11249	6.1
165.12804	6.7
171.11734	2.6
175.11208	14.9
183.06511	3.1
187.11378	3.1
189.12891	3.5
191.10747	4.6
193.05040	6.0
193.12260	69.0
201.07657	2.6
207.13892	2.2
211.13312	100.0
219.01991	5.0
227.12796	4.3
229.14388	5.1
235.13324	3.5
237.02922	2.8
247.13351	2.1
249.15002	8.0
257.19107	3.4
267.16116	6.4
279.03973	4.0
285.10092	3.3
285.16980	22.8
313.16483	3.3
337.16812	2.6
355.17725	5.9
393.19461	2.8
411.20349	4.0
429.12134	4.9
429.21320	99.4
429.27170	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	(-)-Sonchuside G
Peak:m/z	Relative Intensity
51.41694	2.6
53.03937	7.4
54.58758	2.4
55.01867	4.3
55.05515	16.2
56.96570	5.1
57.03435	16.3
61.02932	5.6
67.05502	20.5
69.03423	33.0
69.07066	10.8
71.04987	7.4
71.54550	3.7
72.13260	2.4
73.02921	6.3
73.04763	2.9
79.05482	21.9
81.03421	87.1
81.07058	23.8
83.04986	23.4
83.08611	17.7
85.02908	29.6
91.03941	3.3
91.05473	27.9
93.07040	18.1
95.04958	27.4
95.08622	11.9
97.02895	49.4
97.06563	9.1
97.10186	4.6
98.97594	4.2
99.04473	7.8
101.02401	3.2
105.07030	19.3
107.04953	4.4
107.08593	13.2
109.02914	13.1
109.06527	9.5
109.10123	6.0
111.04462	10.2
111.08097	11.4
117.07088	3.7
119.08592	21.4
121.06551	5.0
121.10172	9.7
123.08097	3.0
125.06100	2.5
125.09633	4.7
127.03946	16.8
129.05544	3.4
129.07011	8.2
131.08612	10.1
132.26785	2.9
133.10155	8.4
135.04439	2.6
135.08134	3.8
135.11742	3.7
145.10207	3.6
147.08011	4.7
147.11687	12.8
147.94652	2.8
149.09689	6.2
157.10175	10.8
163.03964	3.2
163.11206	6.1
165.12729	3.9
175.11206	14.9
181.12280	6.4
183.06506	3.3
189.12756	3.7
191.10713	4.6
193.05020	4.0
193.12256	60.4
193.13884	4.5
211.13289	98.7
213.05481	2.4
227.12827	3.9
229.14429	3.8
235.13364	8.9
249.15016	7.4
267.09070	3.5
267.15933	7.8
269.10455	3.5
285.16980	18.0
292.11987	3.3
309.17044	4.8
315.07162	2.8
355.17673	4.0
369.19312	4.2
385.09183	2.7
396.07025	2.8
411.20117	5.2
429.11734	7.0
429.21295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.0
55.01867	4.7
55.05517	12.3
55.20253	1.8
56.96566	3.6
57.03442	18.3
57.07061	2.1
61.02932	2.8
66.06783	1.6
67.05499	8.6
69.03432	20.9
69.07060	8.0
70.06594	1.8
71.04998	6.6
71.54279	2.6
72.08161	2.6
73.02925	3.2
77.03924	1.9
79.05495	27.8
81.03416	17.3
81.07069	19.3
83.04982	6.1
83.08618	3.2
84.08134	2.5
85.02909	26.4
85.06538	3.2
86.09717	4.9
87.00830	7.7
91.05475	31.2
93.07048	86.1
95.04963	10.9
95.08611	8.5
97.02882	15.1
97.06530	5.8
98.97588	7.1
99.04469	5.5
103.05458	3.7
105.01874	9.6
105.04525	4.4
105.07024	21.1
107.04971	4.2
107.08593	41.5
109.02888	9.4
109.06526	6.8
109.10168	6.7
111.04431	3.3
111.08088	3.3
117.07028	6.4
119.08592	9.8
121.06508	50.8
121.10155	64.4
123.08097	5.1
127.03935	22.5
129.01859	2.9
129.07030	3.3
130.07793	5.1
131.08556	3.5
133.06549	2.8
133.10168	5.3
135.08020	2.0
135.11713	29.4
136.07518	1.8
137.06007	2.4
139.07613	3.3
139.11218	2.1
139.15331	1.8
143.08621	2.9
145.04988	6.7
145.10132	33.5
147.11638	3.1
149.09552	1.8
151.07565	2.4
157.10085	3.0
158.98465	1.8
158.99710	4.6
159.02890	5.4
161.02429	2.0
161.06096	2.1
163.03932	5.1
163.11189	98.8
173.02432	1.7
173.09525	2.3
178.83925	1.8
181.12244	100.0
184.07195	1.9
185.70462	1.7
187.04048	2.3
193.12088	2.1
199.03883	2.5
210.39186	2.0
213.05547	3.7
219.01767	2.6
231.04982	4.5
243.08328	1.6
267.09067	1.8
311.12988	2.7
324.10364	11.1
333.10928	4.4
355.15573	4.6
428.94492	2.0
429.12326	2.8
429.21130	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78642	1.4
53.03956	9.0
55.01864	4.1
55.05517	12.1
57.03444	11.1
59.33429	1.5
61.02919	4.6
67.05503	9.4
69.03432	17.5
69.07053	3.0
70.14731	4.3
71.04984	6.2
79.05497	23.0
79.43471	1.7
80.88684	1.5
81.03418	13.9
81.07059	17.6
83.04985	4.8
83.08620	2.0
85.02912	24.1
86.09700	2.7
87.00834	9.6
91.03958	1.9
91.05486	27.5
92.35717	1.6
93.07047	71.9
95.04987	10.5
95.08619	10.0
97.02899	12.5
97.06526	4.1
98.97585	5.8
99.04452	4.8
103.05486	2.8
105.01867	8.1
105.04497	2.1
105.07033	22.9
107.04951	3.7
107.08601	39.0
109.02869	8.6
109.06549	8.3
109.10150	7.1
111.04451	1.6
111.08009	1.6
117.06995	8.3
119.08590	8.3
121.02977	1.7
121.05671	3.0
121.06512	41.8
121.10150	66.9
123.08030	2.6
125.06017	1.9
127.03922	21.1
129.07022	2.4
130.07788	4.2
131.08580	4.4
133.06458	1.6
133.10118	4.6
135.11690	26.5
137.09616	2.1
139.11203	2.5
143.08577	4.1
145.04956	7.0
145.10126	39.2
146.06078	2.0
147.11705	2.2
149.09688	2.6
157.10141	5.3
158.99583	1.5
159.02869	5.0
163.11186	68.6
173.01128	1.6
175.11160	3.3
177.00717	1.9
181.12239	100.0
185.13290	1.6
193.12308	3.5
211.13249	3.7
219.01674	1.9
231.05072	3.9
235.28903	1.7
267.09027	1.9
267.15845	4.5
285.10086	2.2
324.10623	4.3
355.15482	2.4
429.21277	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	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99239	1.0
51.57782	1.1
53.03961	8.2
55.01880	7.2
55.05512	4.2
57.03447	7.1
57.31642	1.1
59.05004	2.1
61.02937	2.7
67.05515	4.0
68.99792	2.9
69.03432	24.8
69.07070	3.6
69.88261	3.8
70.06598	3.4
71.04996	3.2
72.08169	3.8
73.02915	6.2
74.06065	1.9
79.05487	7.7
81.03427	31.9
81.07056	11.9
83.04992	6.0
83.08608	2.9
84.04550	1.5
84.08115	1.5
85.02909	52.1
85.06538	1.6
86.09721	4.7
86.88461	1.2
87.00834	19.8
91.03962	2.1
91.05479	13.9
93.07060	12.4
95.04975	21.2
95.08636	3.5
97.02898	23.7
99.04462	12.6
103.03967	1.3
103.05465	1.2
105.01885	11.8
105.07034	11.9
107.04987	2.2
107.08581	12.3
109.02888	24.5
109.06562	4.1
109.10190	1.4
111.04440	3.0
111.08119	1.8
117.01874	2.4
117.07044	5.0
119.08604	6.8
121.06541	5.4
121.10152	19.5
121.10946	1.8
123.04428	2.1
123.08112	2.5
123.11724	1.9
125.05888	1.7
125.63889	1.4
127.03926	41.3
127.07547	1.3
129.01868	2.4
129.07048	1.6
130.07846	3.8
131.04868	1.2
131.08620	2.9
133.06502	2.4
133.10127	2.6
135.08092	1.9
135.11676	7.4
137.06029	2.1
143.08606	2.5
145.04971	14.8
145.10120	16.7
147.02914	3.1
147.08113	3.2
147.11723	3.1
148.08939	1.1
149.06053	1.6
149.09631	1.9
157.10156	3.0
159.02898	17.9
159.11720	1.9
161.09637	2.8
163.11191	100.0
164.11560	1.6
165.09212	3.8
165.12811	4.3
167.07079	4.4
175.11281	3.9
181.12259	6.8
189.04057	2.2
193.12253	9.2
205.12297	4.0
211.13272	9.7
213.03978	1.9
223.13326	8.9
231.05090	9.4
233.08107	1.9
249.15036	2.2
267.15991	2.2
271.13489	1.3
287.11115	1.9
289.14319	2.6
385.18378	7.9
393.15250	1.5
400.95856	1.2
411.16345	2.7
429.21201	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12598	1.2
53.03954	1.8
55.01863	4.6
55.05503	5.0
56.96565	3.5
57.03438	8.0
57.87720	1.3
60.08159	4.2
61.02930	11.6
67.05511	10.8
68.05036	2.7
69.03429	8.7
69.07069	4.0
70.06595	84.2
71.01357	2.3
71.04995	2.7
72.08148	5.7
73.02911	6.2
79.05490	11.0
81.03423	26.2
81.07060	9.8
83.04964	4.0
83.08616	5.0
84.04469	1.5
85.02911	19.2
86.09712	19.3
87.00815	1.8
87.04425	2.1
87.10038	5.2
91.03953	4.6
91.05467	12.0
93.07048	9.4
95.04975	29.7
95.08601	4.2
96.27348	1.6
97.02892	12.2
97.06508	2.0
97.10162	2.2
98.97581	3.5
99.04462	3.1
103.03925	4.6
105.07011	11.8
107.04975	5.7
107.08595	8.0
109.02877	7.1
109.06529	3.5
109.10174	2.7
111.04422	3.5
111.08073	3.9
114.05549	14.3
116.07096	100.0
116.98682	1.4
117.07021	3.3
119.04934	1.5
119.08607	7.4
120.08102	2.7
121.06495	4.6
121.08425	2.8
121.10143	4.9
121.40698	1.6
123.04429	12.8
125.00011	9.7
125.06054	1.6
127.03926	11.3
129.05536	1.9
129.07024	3.8
131.04913	2.5
131.08556	6.3
133.06488	2.1
133.10143	4.4
135.08054	2.1
135.11679	4.0
137.06023	2.8
145.04947	3.9
145.10139	7.3
147.04395	5.2
147.08060	4.0
147.11711	4.2
149.05937	2.7
149.09601	1.6
152.06186	3.1
157.10107	4.2
161.06013	2.2
161.09572	2.1
161.13387	1.8
163.11179	17.9
165.06915	2.2
165.12665	2.0
167.08572	11.4
169.06491	2.2
171.11691	2.0
173.09633	2.6
173.13138	2.0
177.06966	3.6
177.12767	1.5
181.12254	2.4
184.07341	44.6
185.07735	15.2
187.11118	1.8
189.05435	2.8
189.12759	3.9
193.12247	8.0
194.07249	2.2
194.09674	1.8
195.06300	2.9
195.08060	45.4
207.13779	2.6
217.12296	2.5
222.09166	6.9
223.07550	50.4
223.13365	2.3
225.09081	6.0
231.13867	2.0
235.13269	21.0
240.10191	69.8
241.08473	1.6
249.14812	5.2
251.06955	4.5
253.08563	2.4
253.14365	2.2
255.13814	2.2
259.13297	4.3
267.09006	2.2
267.15869	14.0
268.09686	67.6
273.14938	8.6
277.14539	1.9
279.06552	3.8
285.09686	2.1
286.10739	83.6
289.14517	1.8
301.14404	6.5
309.16983	13.6
319.15640	2.1
333.32956	1.5
343.10779	1.5
351.17938	2.1
361.10388	2.7
366.13321	9.4
367.12936	8.3
375.18216	8.5
393.18976	5.3
394.12915	27.4
411.15485	6.2
411.20084	5.0
429.16571	46.6
429.21259	19.5
429.26459	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	429.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91789	1.1
56.96570	5.6
57.44496	1.0
61.02910	1.1
69.03410	2.6
69.60574	6.7
70.06594	2.1
82.72149	1.3
85.02934	6.8
86.90932	2.4
90.47417	1.3
97.01387	1.6
97.02883	2.9
98.06020	1.7
98.20733	1.5
98.97582	4.3
101.00862	4.3
103.02395	1.7
110.97563	3.6
112.99141	89.7
115.02444	23.6
118.08646	1.4
119.01874	3.5
127.02411	2.5
127.03880	3.1
128.98622	1.2
129.03958	4.7
131.00175	63.0
131.01877	5.3
133.03477	50.8
140.07016	4.3
141.03973	14.1
143.01904	3.4
145.01680	1.7
145.03453	4.4
147.05058	3.0
148.06023	1.3
149.01225	15.0
151.04501	3.0
152.05664	1.3
155.01918	5.1
156.98035	7.1
157.03452	2.0
159.05037	49.6
160.05127	1.6
163.02654	1.5
169.03418	2.7
170.20218	1.2
171.05020	1.9
173.02946	6.5
173.06491	1.3
174.99165	13.0
175.02798	14.4
175.04300	1.8
176.09177	8.9
177.06093	35.0
183.05069	13.0
187.04572	2.4
193.00259	6.0
193.03845	36.5
195.07159	19.9
201.06059	4.2
203.07648	24.6
211.04897	16.5
211.06676	1.3
219.07133	5.8
220.06760	2.6
221.08710	18.6
229.07567	1.7
231.07153	72.7
232.07254	1.4
233.05107	2.1
245.05177	2.1
247.06665	4.1
249.06294	3.2
249.08366	20.8
251.09970	1.4
253.76169	1.3
257.05246	1.6
275.06192	56.8
275.09390	2.3
277.07703	3.6
293.05118	56.0
293.07202	100.0
293.10788	6.0
294.07281	3.7
295.09509	1.9
295.12433	14.3
311.06516	5.4
311.11813	3.6
369.10315	1.3
409.33859	1.2
429.11920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	7.0
65.26983	1.6
69.03410	1.4
69.36053	3.2
69.36459	8.5
78.11340	1.6
85.02889	4.5
86.49731	1.3
94.97691	1.4
97.01421	2.0
97.02855	1.9
98.21494	2.0
98.97592	3.8
100.21056	1.6
101.00876	3.0
105.85979	1.5
110.97464	1.4
112.99140	100.0
115.02437	20.2
119.01926	2.9
127.02457	2.1
127.03871	2.1
128.98660	1.3
129.03969	1.9
131.00175	66.1
131.01807	2.9
133.03482	33.4
140.07059	1.9
141.03995	8.1
143.01877	2.5
145.03439	4.5
145.04985	2.0
147.05000	1.6
149.01239	13.3
151.04446	1.5
151.82378	1.5
155.01869	3.3
156.98125	2.7
159.05048	39.7
159.06381	2.0
163.03952	3.5
171.05069	2.3
173.02974	4.9
174.99156	6.6
175.02773	21.8
176.09224	2.3
177.06090	31.2
183.05046	7.9
193.00163	3.0
193.03873	38.7
195.07158	13.1
201.06033	4.7
203.07675	17.0
205.03893	2.0
211.04913	18.1
213.06023	2.0
216.23962	1.3
217.01886	1.8
219.07166	4.1
221.08727	12.0
228.02100	1.7
231.07149	53.4
233.05087	3.2
245.05000	1.9
247.06677	2.8
249.06351	6.8
249.08597	13.0
267.07410	1.6
271.11429	1.3
275.03601	2.6
275.06213	42.9
293.05081	35.5
293.07196	73.9
294.07550	1.8
295.12558	8.7
311.06555	10.6
311.09805	2.3
353.65131	1.5
431.01187	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
51.87281	1.7
53.03947	1.9
55.05311	1.9
55.05521	20.5
57.07083	9.0
67.05180	2.8
67.05510	35.0
69.07073	52.4
71.08620	3.3
71.38909	1.5
79.05508	14.6
81.07061	100.0
82.63392	1.8
83.08628	20.3
85.10215	2.8
91.05473	11.0
93.07054	29.3
95.08614	98.9
97.10175	12.1
99.08073	2.5
105.07037	18.5
107.08601	38.8
109.10165	71.8
111.11736	7.7
119.08589	18.7
121.10158	32.0
123.11720	41.4
131.08530	3.4
133.10185	11.2
135.11716	25.0
137.13252	29.4
145.10155	5.9
147.11728	14.9
149.13264	18.5
151.11172	1.8
151.14822	5.4
153.12717	1.8
159.11719	8.3
161.13300	12.2
163.14825	14.8
173.13239	3.0
175.14894	8.8
177.16408	19.0
179.14354	3.0
179.17975	6.5
187.14925	4.3
189.16382	6.6
191.17914	7.0
193.19554	2.1
201.16411	3.3
203.17969	6.5
205.19603	4.6
215.17970	3.8
217.19472	8.5
219.21213	2.1
231.21101	3.6
235.20522	4.3
243.21088	3.0
245.22665	2.5
253.59714	1.7
259.24194	2.2
271.24313	2.8
275.23749	1.8
285.25821	3.2
287.27380	2.0
303.27106	1.9
320.23160	1.8
327.30588	2.4
345.31537	2.6
353.32077	2.6
409.38181	16.1
427.39374	57.8
438.03461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3936
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
52.12529	1.8
53.03968	2.2
54.61063	1.8
55.05508	13.8
57.07076	7.6
67.05512	29.9
69.06689	2.2
69.07071	51.6
70.68671	5.0
79.05505	14.0
81.07059	100.0
82.25751	1.8
83.08624	17.4
85.06543	2.5
91.05492	9.8
93.07053	28.6
95.08610	83.0
97.06557	1.9
97.10159	10.9
105.07040	17.3
107.08594	32.8
109.06536	2.1
109.10162	75.6
111.11713	8.3
119.08594	16.1
121.10146	32.1
123.11704	40.6
124.05939	2.1
125.09642	2.9
131.08554	4.3
133.10141	10.5
135.11702	23.7
137.13264	23.0
139.11226	2.9
145.10147	7.0
147.11707	11.8
149.13258	20.7
151.14839	3.5
159.11719	5.4
161.13274	14.2
163.14787	11.7
173.13365	3.3
175.14856	7.9
177.16391	16.6
179.14285	1.9
179.17982	4.4
187.14926	2.6
189.16385	7.0
191.17984	6.3
193.62630	2.3
203.17957	7.0
205.19510	4.4
215.17990	3.2
217.19530	5.9
224.43208	2.0
224.88210	2.0
229.19525	4.6
231.21075	4.8
245.22606	4.9
285.25787	2.4
285.98572	2.1
287.27539	2.0
310.44766	2.2
345.31485	2.7
409.38318	14.3
427.39404	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.96573	0.2
57.07078	0.8
58.06614	0.2
60.95849	0.2
67.05491	0.6
69.07072	7.6
69.45597	0.4
69.46003	0.9
71.07396	0.2
73.06550	1.9
81.07077	0.4
83.04985	0.9
84.08154	0.2
86.09711	100.0
87.10021	0.4
93.07045	0.4
93.84496	0.2
95.08615	0.3
105.07076	0.3
107.08580	0.2
107.54494	0.2
109.10149	0.3
112.07624	0.8
117.14793	0.2
118.08645	0.3
121.10081	0.2
130.08653	0.3
131.00154	0.3
147.03145	0.2
149.01213	0.5
156.03603	0.2
159.65715	0.2
168.13847	1.2
184.07283	0.3
186.14902	72.4
187.15205	0.7
190.02174	0.2
214.14389	29.4
215.14709	0.4
265.13855	1.5
265.63971	0.3
285.65308	0.3
299.23370	0.5
314.19632	13.3
399.28574	9.1
427.28015	0.7
427.35953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
55.01867	9.1
55.05282	1.4
55.05518	25.2
56.24537	1.4
57.03433	4.8
57.07061	1.8
59.05003	3.7
61.02916	5.1
63.02477	1.4
65.03931	6.2
67.05508	28.7
68.85876	1.5
69.03433	20.1
69.07066	14.2
70.06599	2.1
71.01365	1.4
71.04990	9.3
71.53139	1.7
73.02925	1.9
73.18677	1.4
79.05071	2.6
79.05499	35.1
79.26424	1.5
81.03419	9.6
81.06596	2.4
81.07063	40.6
83.04987	38.9
83.08580	3.6
85.02910	38.9
85.06549	10.4
87.00813	2.0
87.04472	2.1
91.03966	3.3
91.04926	1.8
91.05484	31.2
93.03399	3.5
93.07052	93.4
95.04976	54.7
95.08617	32.0
97.02905	11.6
97.06539	24.4
99.04447	16.6
101.06013	13.4
105.04503	2.3
105.07034	64.1
107.04939	6.4
107.05582	1.6
107.08602	68.5
109.02872	3.7
109.06521	29.0
109.10162	17.9
111.04457	19.8
111.08080	6.0
113.06019	2.4
115.05431	2.2
115.27773	1.5
117.07021	6.2
119.04935	5.1
119.08582	39.7
121.02880	2.9
121.06511	29.8
121.10161	18.3
123.04507	1.8
123.08065	8.9
123.11733	9.6
125.05982	8.0
127.03904	6.5
127.07547	9.6
128.06204	3.0
129.05470	6.2
129.07019	6.3
131.08572	13.5
133.06485	4.3
133.10133	33.8
135.08066	34.4
135.11670	8.3
137.05975	5.1
137.09612	4.5
139.03903	6.9
139.07545	21.9
142.07771	4.3
143.07045	6.2
143.08557	8.5
145.04956	3.0
145.10118	20.7
147.08058	6.0
147.11697	88.3
149.09674	7.5
149.13245	9.1
151.07555	4.8
151.11180	2.1
153.09103	12.0
155.08519	1.9
156.09349	5.1
157.04977	2.5
157.08627	5.1
157.10120	16.8
159.08044	5.1
159.11703	5.8
161.09619	6.0
161.13266	13.0
163.11169	7.3
163.14801	4.6
165.09070	2.6
165.12766	74.7
171.11710	20.5
173.09610	7.5
173.13208	3.1
175.07594	1.6
175.11191	34.3
177.09120	5.9
181.10060	1.8
183.13840	2.8
187.14845	5.0
189.12743	38.4
191.10628	7.1
191.14313	5.6
193.12260	31.5
199.11229	12.0
199.14510	1.5
205.15855	6.6
207.13828	22.2
209.15344	9.8
211.05975	2.1
211.13263	6.3
217.07013	4.1
217.12257	57.8
227.16438	2.5
229.07159	3.4
229.14259	4.3
229.16199	2.6
235.13304	47.7
235.16864	2.8
247.16933	31.9
253.14369	26.6
265.18002	100.0
297.25653	1.8
309.13419	2.6
345.16794	2.0
349.16354	5.0
363.18057	3.7
365.19525	2.3
367.17416	8.3
373.16327	2.3
388.80176	1.5
391.17606	19.8
409.18503	20.5
427.18982	7.4
427.23438	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	427.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01870	8.7
55.05514	23.6
57.03441	5.2
59.05003	2.9
61.02929	3.7
65.03945	6.9
67.05510	27.4
69.03436	20.5
69.07063	13.5
70.11739	6.5
71.01366	2.1
71.04998	12.7
73.02896	2.2
73.06567	2.0
77.03925	1.7
79.05503	33.6
81.03419	9.7
81.07062	42.8
83.04987	37.0
83.08627	5.4
85.02911	44.9
85.06541	8.1
87.00813	1.7
87.04483	2.0
91.03964	1.6
91.05483	33.0
93.03407	3.4
93.07048	100.0
95.04977	59.0
95.05486	1.1
95.08614	28.2
97.02894	11.8
97.06544	21.0
97.10233	1.6
99.04470	17.1
101.06034	14.2
103.05501	1.8
105.04533	4.0
105.07034	66.3
107.04974	4.1
107.08603	68.7
109.02888	4.5
109.06522	30.7
109.10163	16.5
111.04461	16.7
111.08117	9.2
113.06042	2.7
117.00124	1.6
117.07022	5.6
119.04974	4.4
119.08589	42.0
121.02875	2.8
121.06518	31.8
121.10155	12.8
123.08074	9.0
123.11734	7.1
125.05990	10.3
127.03928	8.5
127.07587	8.0
128.06248	2.1
129.05478	5.0
129.07040	4.5
131.08565	10.9
133.06485	4.5
133.10141	34.9
135.08055	29.9
135.09007	2.3
135.11676	9.4
137.06024	4.3
137.09608	6.4
137.13252	1.9
139.03909	5.7
139.07541	20.1
142.07802	5.3
143.07083	4.0
143.08545	9.8
145.04965	4.5
145.10127	19.2
147.08105	5.9
147.11696	88.5
149.09641	5.8
149.13272	9.0
151.07588	3.6
151.11241	2.3
153.09108	13.6
155.07201	1.9
155.08560	3.4
156.09308	3.4
157.08713	2.8
157.10126	20.0
159.08072	3.8
159.11722	4.3
161.09653	6.3
161.13278	13.6
163.07521	1.6
163.11208	8.7
163.14931	2.9
165.09128	2.3
165.12770	70.7
171.06433	1.8
171.11700	22.5
173.09639	5.2
173.13293	5.8
175.11205	29.3
175.14864	2.4
177.09085	7.7
179.10690	1.6
179.14229	2.0
181.16032	1.7
183.13777	1.8
185.04506	1.9
187.14854	4.5
189.12755	37.0
191.10678	5.5
191.14313	7.9
193.12251	37.0
193.13904	2.9
199.11197	11.8
201.16463	2.0
203.14311	1.8
205.15953	6.9
207.13832	22.8
209.15308	10.0
211.06075	3.4
211.13188	7.6
212.98799	1.7
217.07129	6.0
217.12253	58.7
227.16368	1.8
229.07059	2.3
229.14110	2.4
229.16191	2.8
235.13300	50.4
235.16905	3.3
247.16969	26.2
253.10599	1.9
253.11423	1.8
253.14351	33.4
265.18005	97.1
309.13477	3.4
349.16458	4.7
363.17987	4.1
365.19611	3.2
367.17569	11.0
370.02554	1.7
373.16299	2.6
391.17572	18.8
409.18631	21.7
409.74359	1.6
427.18588	11.0
427.23444	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	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65242	2.5
53.03934	10.3
55.01867	11.5
55.05519	14.8
57.03437	6.8
65.03931	7.0
67.05511	31.2
69.03443	14.6
69.07063	18.0
69.32411	22.5
70.06593	4.7
70.95281	2.5
71.05007	12.5
74.62851	2.4
79.05496	37.8
81.03415	10.7
81.07062	45.4
83.04989	35.7
83.08603	7.1
84.08178	2.8
85.02897	8.1
85.06542	11.5
86.09706	3.6
91.05486	31.3
93.07049	100.0
95.04974	44.9
95.08606	28.9
97.02900	7.3
97.06544	20.7
99.04460	16.1
105.04542	3.6
105.07043	65.9
107.04964	6.5
107.08606	66.4
109.02869	2.5
109.06536	25.1
109.10150	12.8
111.04468	22.5
111.08070	9.5
113.06045	3.5
117.06997	5.6
118.06508	2.6
119.08581	44.9
121.02905	4.9
121.06512	43.7
121.10186	12.7
123.04423	4.4
123.08067	6.6
123.11698	3.5
125.05994	21.7
125.09673	2.8
127.03937	6.8
127.07549	11.2
129.05453	5.7
129.07028	7.3
131.08583	9.0
133.06503	3.1
133.10127	42.3
135.04436	4.9
135.08063	32.9
135.11703	6.2
137.05974	5.9
137.09619	5.8
139.03873	6.2
139.07542	21.9
142.07761	6.3
143.07037	15.2
143.08612	12.4
144.08072	5.9
145.10127	19.4
147.08052	8.2
147.11696	90.4
149.09639	5.0
149.13240	8.3
153.09106	19.7
155.08545	3.0
156.09343	4.4
157.04935	3.3
157.08717	5.1
157.10126	18.5
159.08043	3.5
161.09607	4.3
161.13280	14.2
163.11090	4.8
163.14740	4.0
165.12743	20.8
171.11691	21.9
173.09615	6.2
173.13268	3.9
175.11182	39.7
177.09117	3.4
181.10080	3.2
181.12250	2.9
181.24663	2.9
184.08900	2.7
189.11142	3.3
189.12755	40.3
191.10689	3.7
191.14366	5.0
193.12253	47.7
199.11168	16.1
207.13809	24.5
209.15399	5.6
211.13312	7.9
217.12274	73.5
229.14412	3.9
230.15399	3.2
235.13297	57.7
253.14346	33.2
256.16980	3.0
274.18048	9.6
294.38498	2.7
309.13196	2.8
349.16534	5.3
363.18076	6.2
365.19391	4.4
367.17474	14.3
372.15805	2.7
383.16495	3.5
391.17572	15.3
409.18777	23.9
427.20145	28.7
428.18405	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01878	8.5
55.05512	27.1
56.00607	2.6
57.03433	6.5
61.02924	3.3
65.03939	8.0
67.05515	35.9
69.03436	21.0
69.07072	15.8
69.25891	16.5
69.26300	5.2
70.06577	2.5
71.04993	12.7
71.41300	2.4
77.03890	2.8
79.05505	39.1
81.03418	10.6
81.07064	45.6
81.57906	2.6
83.04986	42.2
83.08634	9.4
85.02910	31.5
85.06535	12.1
87.04456	3.3
91.05492	34.7
93.03382	3.4
93.07051	92.9
95.04976	55.9
95.08618	34.5
97.02896	9.8
97.06529	22.8
98.20789	5.6
98.97575	4.4
99.04466	13.5
101.06027	10.3
101.95047	2.9
103.05466	3.1
105.04520	3.0
105.07035	82.5
107.04942	4.9
107.08600	71.4
107.09315	4.8
109.02840	4.6
109.06522	32.2
109.10162	20.1
111.04457	28.8
111.08089	11.8
113.05988	2.9
117.06995	5.4
119.04924	4.7
119.08588	53.4
121.02837	2.8
121.06514	37.7
121.10166	14.8
123.04469	3.3
123.08060	8.8
123.11720	7.8
125.05975	9.7
127.03912	3.8
127.07579	8.6
129.05489	6.1
129.06992	4.6
131.08586	9.0
133.06516	3.2
133.10135	35.8
135.08066	30.9
135.11702	7.9
137.05971	6.7
137.09676	4.7
139.03941	6.3
139.07523	20.0
142.07739	3.5
143.07074	8.6
143.08563	10.7
145.04924	4.4
145.06549	3.2
145.10144	21.9
147.08067	8.3
147.11694	100.0
149.09595	7.0
149.13269	10.1
151.07538	3.8
153.09084	13.9
156.09366	4.6
157.05003	3.1
157.08771	5.3
157.10158	20.1
159.08040	5.3
159.11710	3.4
161.09589	5.4
161.13268	15.6
163.11229	10.3
163.14841	5.2
165.12767	67.6
171.11684	22.2
173.09589	7.5
173.13309	4.4
175.11180	43.3
177.09167	6.1
179.10712	3.7
187.14832	4.8
189.12740	42.7
191.10712	6.7
191.14346	6.1
193.12241	36.4
199.11195	11.2
205.15875	5.7
207.13838	33.5
209.15393	11.0
211.05910	3.2
211.13292	6.2
217.07124	8.4
217.12239	67.5
229.07095	5.0
229.16074	3.8
235.13309	46.5
247.17000	23.7
253.14375	30.9
265.17984	91.6
309.13187	4.0
349.16489	7.3
363.18112	5.5
365.19568	4.2
367.17484	11.7
391.17719	16.4
409.18466	22.8
427.19305	13.8
427.24124	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	427.1944
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
54.94322	0.4
55.01875	0.6
55.05508	0.7
56.96567	1.4
57.03436	0.5
59.01159	0.4
67.05498	1.4
69.03431	1.9
69.07069	1.2
70.06588	1.6
70.46690	0.4
71.04983	0.5
71.31590	0.3
71.31918	0.4
71.95240	0.3
72.08165	0.8
79.05479	1.3
81.03418	1.0
81.07053	1.4
83.04994	0.7
84.08155	0.4
85.02932	2.0
85.06580	0.3
86.09699	1.0
91.05492	1.4
92.05744	0.4
93.07038	1.3
95.04974	0.5
95.08614	0.8
97.02898	1.3
97.06555	0.7
98.97586	5.3
99.04470	0.5
101.34405	0.3
105.07037	2.1
107.08595	1.4
109.02893	0.7
109.10207	0.7
110.97567	0.8
111.04504	0.4
115.93232	0.4
116.07151	0.4
116.98649	1.3
117.07082	0.4
119.04945	0.5
119.08611	1.4
120.08112	1.8
121.10152	0.9
123.11745	0.3
124.07594	0.8
127.03928	1.2
128.98608	0.5
129.06873	0.4
129.10176	0.4
131.08540	1.0
133.10138	0.8
134.99661	0.5
135.11655	0.5
136.06184	1.1
136.07695	0.3
145.05016	0.5
145.10149	1.2
147.04408	0.9
147.07936	0.4
149.09628	0.6
151.07571	0.5
158.99709	0.6
159.11644	0.6
160.07637	0.7
161.09634	0.8
161.13278	0.9
163.11188	0.7
166.86429	0.3
171.11555	0.5
173.09610	0.5
177.00723	0.6
178.08665	0.7
179.03416	4.2
179.09003	0.6
179.14317	0.6
213.16118	0.6
219.01797	0.7
237.02916	1.5
239.09709	0.5
241.07408	0.6
247.16853	1.9
265.11157	1.0
265.14188	2.3
265.17960	0.8
283.12323	1.0
301.13226	0.4
307.12198	1.2
325.13232	1.4
397.18204	0.4
409.19647	0.5
427.19501	100.0
428.19852	2.3
445.17404	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	427.1945
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
51.01838	0.4
56.96569	0.8
58.00922	0.5
64.67200	0.4
67.05547	0.6
69.03424	1.2
69.07078	0.5
70.06590	3.1
71.04965	0.8
71.53934	0.6
72.08146	1.6
75.81125	0.5
81.07053	0.8
84.04528	0.6
84.08140	1.6
85.02911	1.8
86.09706	1.2
91.05469	0.5
93.14044	0.4
97.02902	1.0
98.04005	0.5
98.97592	1.4
105.07072	0.5
107.04999	0.5
107.08591	0.6
109.02895	0.5
116.07149	0.5
121.10132	0.8
123.47055	0.5
125.09650	1.8
127.03932	1.1
144.40845	0.5
150.07762	5.3
156.90320	0.5
159.11742	0.8
163.03891	2.7
176.36784	0.5
179.03397	2.3
185.09193	0.6
203.05299	7.3
212.81943	0.5
217.12082	1.0
223.04594	0.9
235.05919	0.8
294.60068	0.5
295.11417	0.9
312.15607	0.8
327.14252	1.3
367.08716	0.8
384.53503	0.5
397.18311	5.5
409.12814	0.5
427.19519	100.0
428.19730	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	427.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
56.96561	6.6
67.05492	1.2
69.03436	3.1
69.07058	1.1
70.06584	5.2
71.05016	1.1
71.95255	1.1
81.03419	1.8
81.07059	1.8
83.08599	1.0
83.25416	0.9
84.08155	2.3
85.02919	4.3
86.09721	2.0
90.22726	0.9
91.05495	1.7
94.04072	1.2
95.04970	0.9
95.06095	3.6
96.06386	1.2
97.02885	3.0
97.10168	1.4
98.97587	38.6
105.07045	2.1
110.07172	1.0
114.05556	1.7
116.07098	1.0
116.98628	10.2
119.08585	1.2
123.06693	0.9
127.03987	1.2
128.98611	1.4
133.10107	1.6
134.99663	2.2
141.02216	4.3
143.00244	1.1
145.05003	0.9
147.04269	1.4
150.07756	100.0
150.32095	1.0
158.99739	2.5
159.03281	2.8
161.09676	1.5
162.62067	0.9
173.13199	0.8
177.00655	1.6
179.03403	4.6
195.08186	1.7
206.72827	0.9
207.06854	1.6
212.93912	0.9
214.45334	0.8
219.01813	1.1
220.07584	1.3
225.08078	1.6
237.02844	0.8
238.08737	2.2
239.09528	1.6
240.10339	1.1
247.16904	1.8
249.07993	34.3
251.05775	1.2
251.58366	0.8
257.39951	0.9
265.07639	4.1
265.11182	3.7
266.08206	1.1
267.09085	7.3
283.08582	4.2
283.11978	1.3
289.10965	1.5
290.10745	1.0
295.11523	21.2
307.08511	3.9
307.12210	12.7
312.08655	3.7
324.20078	1.4
325.09473	1.1
383.27393	1.9
409.18597	1.3
427.12146	5.1
427.17813	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01852	0.2
55.05507	0.2
56.96544	0.4
57.03434	0.2
57.04536	0.5
59.85814	0.1
59.94562	0.1
63.71851	0.1
69.03400	0.6
70.06593	1.1
71.04972	0.2
71.53460	0.3
79.05502	0.1
81.03393	0.3
81.07038	0.4
83.05004	0.2
85.02912	0.8
86.09686	0.4
86.76965	0.2
91.05490	0.2
94.04047	1.6
95.04977	0.2
95.06067	0.5
95.08606	0.2
97.02872	0.4
97.10154	0.2
98.97575	0.7
105.07021	0.3
107.04991	0.2
109.02864	0.2
114.05516	0.6
115.11164	0.2
116.07085	0.2
116.98618	0.2
119.08595	0.2
123.04433	0.5
123.06693	0.9
124.07547	0.3
127.03869	0.2
133.05080	0.3
133.10173	0.3
135.05431	0.3
136.07558	0.2
141.12747	0.2
146.84897	0.2
147.04373	0.2
150.07756	100.0
151.08073	0.6
158.99698	0.2
175.29720	0.1
179.03436	0.9
195.08067	0.4
203.05348	0.3
205.05411	0.3
210.09216	0.1
217.12134	0.2
220.07555	0.7
223.07523	0.3
238.08720	0.5
240.10213	0.4
247.06459	0.2
264.12427	0.2
265.07544	0.7
265.12671	0.5
266.08069	0.2
268.09720	0.3
282.11884	0.8
283.08575	1.0
286.10977	0.2
295.11511	21.7
307.08588	0.8
312.08771	1.3
312.12039	0.2
313.15979	0.2
324.19797	0.3
325.09610	0.3
367.10751	0.2
370.12296	0.2
383.27509	0.5
397.18512	0.2
409.18069	0.5
427.13550	0.5
427.19501	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	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34550	0.8
55.05509	3.0
57.03436	3.9
57.43879	0.6
59.04992	2.4
61.02924	2.0
67.05511	40.8
69.03430	1.2
69.17422	6.3
69.17834	1.6
70.06598	1.2
71.05000	1.3
73.02917	0.9
79.05473	0.8
81.03429	1.1
81.07063	5.0
83.08606	3.4
85.02907	3.0
85.06549	1.7
91.05484	3.9
93.07037	1.8
95.08595	3.0
97.02888	1.9
103.03956	1.6
105.07053	0.9
107.08543	0.9
109.02820	0.8
109.10165	48.8
110.06060	0.9
111.08102	2.1
119.08576	3.5
137.09627	2.2
143.10622	0.8
155.10680	9.4
163.11328	0.8
166.08575	0.7
173.11760	21.5
184.50610	0.6
229.14372	100.0
230.14571	1.0
247.15442	1.8
391.19760	0.8
407.43561	0.8
427.19379	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	427.1385
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
52.43790	0.6
53.03934	0.8
54.43889	0.6
55.01867	0.6
56.36279	0.7
56.96302	0.8
56.96565	11.4
57.03411	0.9
69.03420	1.9
69.07058	0.7
69.77774	1.8
69.78185	1.9
70.06572	2.5
72.08160	1.7
73.02899	0.6
79.05511	0.9
81.03397	1.4
84.96045	0.7
85.02914	3.1
86.09691	1.8
87.00813	1.1
91.05457	1.4
97.02877	2.0
98.96947	0.9
98.97590	14.4
99.04424	0.7
101.85340	0.6
105.07043	3.3
109.02838	1.7
110.07069	0.8
110.97565	2.6
116.98647	3.0
119.08560	1.5
123.04436	0.6
127.03887	2.3
128.98608	1.8
131.08563	1.2
133.02866	1.3
133.10139	4.0
139.00681	3.6
143.00229	0.7
145.04967	0.9
151.00664	1.6
157.01701	2.7
158.99672	1.8
159.03214	1.0
161.09628	4.5
163.00667	1.0
165.04707	0.7
169.01781	1.0
170.99678	0.7
177.00681	0.8
179.03410	13.9
181.01697	0.8
183.03432	0.7
189.02232	1.6
193.05394	6.0
194.66539	0.6
197.04845	0.8
201.00653	0.9
203.03821	0.7
205.05373	9.7
207.03313	2.1
209.04851	1.0
211.06448	6.0
219.01775	6.1
219.03703	1.0
221.04883	4.4
223.06427	38.2
225.04424	3.4
237.02711	5.1
239.05766	1.3
241.07520	9.5
247.06450	10.4
247.16869	1.4
253.07515	1.0
265.07483	17.1
277.07574	1.0
283.08517	13.9
307.08447	2.2
307.11844	0.8
367.10660	44.7
383.27820	0.8
409.17892	0.9
427.13022	100.0
427.18405	10.6
428.13715	1.5
428.18912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05519	20.0
57.07077	11.9
67.05509	31.4
69.06733	3.6
69.07072	41.3
71.30357	4.9
79.05503	16.8
81.07059	84.7
83.08630	21.1
91.05492	15.1
93.07052	38.9
95.08617	92.4
97.10152	10.5
105.07032	34.6
107.08592	45.7
109.10162	64.4
111.11712	8.6
119.08585	34.2
121.10141	41.5
123.11720	29.9
131.08578	12.1
133.10136	30.2
135.11710	32.8
137.13274	19.9
140.76788	2.8
143.08533	3.1
145.10144	18.6
147.11694	23.6
149.13264	22.4
151.14841	5.0
157.10156	7.2
159.11703	22.1
161.13301	16.1
163.14836	10.2
164.20613	2.5
165.12808	2.6
171.11678	7.7
173.13264	13.8
175.14856	17.2
177.16466	17.8
183.11913	2.3
185.13220	4.4
187.14833	7.4
189.16418	11.9
191.17957	8.7
195.72070	2.7
199.14799	6.6
201.16420	11.4
203.17972	11.0
205.19496	4.6
213.16379	4.9
215.17953	10.4
217.19469	5.7
219.17224	3.2
227.18001	5.6
229.19598	6.2
233.19006	5.9
235.20427	2.8
241.19579	5.6
243.21196	4.2
245.22670	3.6
255.21254	5.9
257.22559	5.7
269.22507	4.7
271.24326	4.0
273.22247	3.9
275.23535	3.3
283.24121	5.5
301.25433	4.7
305.40302	2.9
341.28250	2.9
369.31830	3.6
407.36725	25.3
425.21155	2.9
425.37775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	4.9
57.07066	4.3
67.05506	16.6
69.07066	18.2
70.71711	3.1
75.67833	1.2
77.98459	1.3
79.05479	4.9
81.06601	1.5
81.07059	28.6
83.08624	5.8
87.39587	1.4
91.05476	5.2
93.07047	14.9
95.08610	59.5
97.06505	2.8
97.10177	4.8
105.07034	10.4
107.08592	29.9
109.10159	41.2
111.08096	2.0
111.11743	6.8
113.12078	1.2
118.27872	1.2
119.08582	20.1
121.09328	2.3
121.10146	28.1
123.11707	19.0
131.08534	3.3
133.10132	17.4
135.11691	19.5
137.13260	13.0
145.10139	5.1
147.11694	13.6
149.13237	10.5
151.14853	1.5
159.11711	7.6
161.13274	13.9
163.14850	13.9
163.80655	1.6
173.13277	5.0
175.14848	9.2
177.16423	8.7
179.14302	4.9
179.17969	2.0
185.54623	1.2
187.14804	4.9
189.16389	14.4
191.17960	20.0
192.18591	1.5
201.16397	5.3
203.17947	9.6
205.19496	8.5
207.17444	5.2
215.17966	9.2
217.19525	10.8
219.21198	2.6
229.19534	4.6
231.21065	4.8
233.19049	3.0
243.21048	5.6
243.41524	1.2
245.22691	15.1
247.20593	13.4
257.22699	3.0
259.24191	3.0
261.22180	3.7
269.22583	2.2
271.24167	7.2
273.25742	1.7
275.23868	1.4
285.25818	2.8
289.25067	1.4
297.25870	2.9
407.36813	22.9
425.37784	100.0
426.38040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.83698	2.3
53.03942	5.3
55.05508	16.7
57.07062	8.5
67.05515	34.4
67.30802	2.2
69.07081	54.1
69.07436	2.1
69.21271	12.8
69.21695	10.1
71.08639	2.7
79.05495	19.4
81.07064	86.7
83.05020	3.1
83.08621	20.6
89.06013	4.7
91.05487	19.5
93.07052	51.5
95.08617	88.9
97.10201	15.5
98.20740	4.3
100.19254	2.4
105.07037	27.8
107.07877	4.0
107.08603	57.8
109.10168	86.6
111.08067	3.1
111.11728	8.1
117.07010	5.5
119.08593	37.8
121.10148	33.4
123.11711	32.9
127.11184	2.9
129.06984	2.2
131.08565	15.6
133.10136	24.4
135.11693	34.4
137.13239	10.0
142.07858	3.1
143.08585	4.8
145.10141	21.3
147.11693	29.0
149.13266	24.2
151.14851	4.4
155.08522	2.5
157.10168	7.2
159.11694	21.1
161.13290	17.6
163.14847	14.7
171.11763	7.6
173.13246	15.3
175.14871	15.3
177.16382	12.9
185.13258	6.4
187.14847	7.4
189.16339	11.1
191.18002	3.3
199.14888	6.3
201.16437	10.0
203.17986	14.1
205.19572	4.9
213.16449	5.5
215.17995	13.4
217.19576	7.8
223.90578	2.7
227.18042	4.8
229.19510	7.1
231.21101	3.7
241.19647	3.9
243.21077	5.8
255.21124	5.7
257.22638	6.2
261.22318	3.4
269.22687	5.4
271.24127	3.2
283.24213	5.4
325.28973	6.9
343.29907	5.7
350.58249	2.5
351.30551	4.5
369.31671	3.2
407.36557	23.0
425.37830	100.0
426.38467	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.58337	2.1
51.31237	2.2
52.94598	2.0
53.00513	2.2
53.03931	2.7
55.05513	14.7
57.07069	5.3
66.75842	2.1
67.05508	30.6
69.07069	50.0
69.60187	15.1
71.08627	3.4
79.05492	12.6
81.06593	4.3
81.07060	70.8
83.08617	13.2
91.05470	14.1
91.75373	2.4
93.07040	40.9
95.04957	2.3
95.07998	3.7
95.08610	70.7
97.10175	14.8
98.21510	3.1
99.08044	2.1
105.07027	31.0
107.08595	38.5
109.06522	2.9
109.10158	100.0
111.11729	9.1
119.08584	30.2
121.10143	38.3
123.11713	26.7
130.07761	3.0
131.08557	7.8
133.10138	26.7
135.11703	29.9
137.13252	11.8
143.08543	3.3
145.10133	13.8
147.11655	23.4
149.13261	22.9
151.11162	3.3
151.14845	3.7
157.10107	3.3
159.11691	14.6
159.16743	2.0
160.44853	2.1
161.13268	20.1
163.14845	7.9
165.12794	3.0
171.11713	4.6
173.13284	7.1
175.14888	10.3
177.12846	2.5
177.16338	11.5
178.16277	2.3
179.14331	2.2
179.18034	2.7
185.13274	4.3
187.14839	7.3
189.16389	13.2
191.17932	4.5
199.14911	5.3
201.16475	13.1
203.17953	19.2
205.19606	3.8
207.17546	2.8
213.16328	3.2
215.17914	10.6
217.19525	7.7
227.18028	3.0
229.19597	4.6
231.21098	5.1
233.18903	5.4
243.21059	3.9
245.22852	2.9
253.19437	2.7
259.20801	2.3
269.22595	3.8
283.24194	4.4
287.23743	3.1
289.25180	2.1
297.25821	4.1
301.25418	5.3
325.28928	9.5
327.30591	4.0
343.30048	16.0
346.69733	2.4
348.68909	2.6
349.59311	2.3
369.31253	6.1
407.36722	22.8
425.32227	4.7
425.37811	80.2
426.37991	2.5
436.11700	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05498	12.9
55.15150	3.6
55.50355	3.8
57.07063	12.2
58.72075	4.4
64.74352	3.9
67.05510	33.7
69.07079	54.8
70.34373	15.1
79.05512	19.2
81.07060	100.0
81.15591	3.8
83.05004	4.9
83.08625	23.6
89.06014	5.8
91.05475	16.6
91.22655	4.1
93.07057	52.0
95.08610	89.0
97.10183	12.7
105.07043	29.4
107.08591	52.0
109.10164	70.5
111.11726	5.0
117.07048	4.3
119.08590	37.5
121.10146	46.2
123.11723	36.3
131.08543	10.5
133.10117	29.6
135.11732	27.6
137.13242	13.9
145.10144	17.3
147.11707	26.7
149.13272	22.7
157.10121	7.2
159.11707	28.2
161.13252	15.4
163.14827	9.3
171.11687	7.8
173.13255	18.0
175.14832	17.5
177.16386	12.2
185.13237	10.0
187.14807	7.9
189.16382	10.5
191.17963	9.4
199.14789	4.8
201.16394	10.0
203.18018	11.6
205.19556	4.4
213.16324	4.6
215.17978	12.0
217.19496	10.0
229.19522	7.8
233.19014	9.0
239.14920	5.5
255.21091	6.4
268.80750	4.9
295.24313	6.0
369.31494	6.4
407.36655	17.6
425.37811	82.9
435.25723	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	425.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24761	0.7
53.03950	1.8
55.01867	1.7
55.05514	6.6
56.05025	0.9
56.96568	1.1
57.03442	2.0
57.07063	3.3
58.07482	0.8
59.04990	1.1
61.02901	1.5
67.05511	28.1
69.03432	8.3
69.07059	1.7
70.06597	6.2
70.19489	2.7
71.04998	50.1
72.08142	1.1
73.02929	1.1
79.05488	4.1
81.03419	6.7
81.07063	65.9
83.05002	1.3
83.08613	1.5
84.04485	1.3
84.08140	1.6
85.02439	1.7
85.02914	20.5
85.06078	1.6
85.06550	19.1
86.09710	2.9
87.00844	7.1
88.02228	1.1
91.05476	1.7
93.07050	1.8
95.05013	1.2
95.06110	0.8
95.08605	6.7
97.02893	7.8
97.14625	1.1
98.97567	2.4
99.04463	2.0
99.08096	2.3
105.01861	6.5
105.07012	1.1
107.08620	1.3
109.02890	5.1
113.06006	1.0
116.07093	1.6
116.98640	0.9
119.08591	1.0
120.08090	0.9
121.10132	1.5
122.02705	2.4
123.04444	1.0
123.08118	1.0
123.11719	17.7
127.03936	9.5
129.10233	0.9
130.05128	0.8
133.10213	0.8
136.07607	1.0
141.12750	100.0
142.13072	1.0
142.46320	0.7
145.04970	3.5
159.02898	1.9
159.13818	81.2
163.65628	0.9
168.06525	1.4
177.05574	1.0
177.14879	24.4
177.16284	0.9
187.23566	0.8
213.12276	2.1
231.05020	2.3
245.19159	1.2
264.12408	1.7
330.12021	1.4
337.12964	1.3
337.99585	0.9
346.13629	2.2
346.63583	0.9
382.26984	1.3
425.18427	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	425.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
54.12178	3.0
55.05508	4.6
56.01868	3.6
56.05054	4.3
56.96577	19.4
57.03440	5.8
67.05513	11.9
69.03426	16.2
69.91756	3.0
70.06594	12.7
71.05000	13.1
71.53879	4.8
72.08144	5.8
73.53601	3.3
79.05492	19.4
81.03416	8.8
81.07053	21.6
83.05021	4.7
84.04481	5.0
84.08141	5.3
85.02905	22.3
85.06577	6.0
86.09720	3.2
87.04483	5.3
91.05479	3.1
94.06578	6.9
95.04992	5.5
95.08612	4.2
97.02912	7.6
97.06531	5.7
98.97602	29.4
99.04506	4.7
105.07043	5.1
107.08570	4.2
108.04580	3.2
108.08148	11.4
109.02901	6.1
109.06524	11.5
109.10175	3.7
110.97601	9.7
113.87897	3.0
116.98613	8.8
117.82407	3.2
120.08129	14.3
122.06066	8.0
124.99164	3.8
127.03925	8.8
127.39291	3.0
128.98628	6.0
129.07014	4.2
131.58536	2.7
134.06001	3.4
136.07599	29.0
137.05981	97.7
141.12721	16.3
143.00179	3.4
145.04912	3.4
146.06085	3.8
146.99629	4.2
147.04378	3.3
148.07581	5.8
151.03943	18.7
154.03410	4.7
154.08717	4.2
159.13841	11.8
161.01312	3.2
162.09195	3.4
163.03883	28.1
164.07100	6.9
166.08670	5.6
174.07907	14.8
175.08696	7.7
177.00729	3.9
177.14943	6.2
182.04671	8.0
188.09309	3.8
189.10260	3.6
191.05318	6.6
191.08267	4.2
201.10089	3.8
205.09717	4.5
210.16042	4.3
217.09764	14.0
219.01808	9.8
221.01143	3.6
221.03029	17.4
224.09473	11.4
225.10240	7.9
226.11017	4.2
227.08113	4.4
227.11833	4.1
235.10759	5.1
237.02879	8.4
239.02258	8.3
239.08191	5.8
239.11856	11.2
240.08987	9.8
241.09755	10.9
245.05113	3.9
251.11789	11.0
253.09834	17.0
254.10535	17.3
255.11244	4.2
256.12128	3.4
257.12894	4.2
261.05542	12.3
263.07065	10.0
265.04962	6.0
265.09723	4.2
266.10382	5.0
267.11200	20.1
269.13031	3.9
271.10800	19.3
272.07883	6.3
279.06567	5.2
279.11340	13.2
279.14453	4.2
281.12723	8.4
282.13748	3.8
283.10956	8.2
284.11548	13.7
285.12439	10.6
297.12418	5.1
303.06494	3.7
303.13403	4.8
307.10870	4.4
307.14444	6.3
309.12628	4.1
309.15955	3.4
313.11774	4.8
321.11630	4.9
322.13251	18.3
323.14081	5.9
325.15482	6.9
329.54160	3.6
335.13956	15.7
343.16632	9.1
344.11954	22.6
344.62103	8.7
347.06375	8.9
353.15002	48.8
365.05402	44.0
371.16083	100.0
381.10229	4.6
383.07745	3.8
389.17105	53.7
407.18066	33.9
425.18790	97.8
425.34048	7.8
449.87497	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	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58531	0.8
58.56384	0.7
60.10530	0.7
67.05504	1.4
69.07056	2.6
69.39732	6.3
79.05477	1.2
81.07060	6.6
85.02921	1.1
91.05496	1.6
93.07058	1.5
95.08591	1.8
97.02896	1.4
98.21740	0.7
101.00864	2.0
105.07056	1.6
105.98485	0.7
107.08590	1.3
109.10144	1.0
119.01921	2.8
143.01952	3.7
155.01917	1.1
157.03477	2.2
161.02951	2.4
185.02901	1.0
187.00862	2.9
201.03699	1.6
203.05380	1.3
219.07098	0.9
227.05391	1.7
229.01981	2.4
243.04813	9.6
245.06407	6.1
271.04321	2.2
287.03745	80.9
289.05307	66.5
290.05661	0.9
381.18796	5.2
425.17819	100.0
426.18372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1418
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
53.03930	0.6
55.01851	0.5
55.05502	1.3
55.12682	0.3
56.96574	0.8
57.03420	0.5
57.07060	0.6
61.02929	0.4
65.03941	0.4
67.05508	4.7
69.03426	2.4
69.07050	0.7
70.06599	2.7
71.04998	12.3
71.07112	0.5
71.07457	0.6
72.08154	1.4
73.02906	0.5
74.09704	0.5
79.05479	1.0
81.03413	1.3
81.06596	0.5
81.07060	10.2
83.08633	0.4
84.04501	0.6
84.08138	1.0
85.02906	3.7
85.06544	2.4
86.09690	1.5
87.00825	0.8
91.05499	2.1
93.07041	0.8
95.04957	0.4
95.08612	1.8
97.02910	1.8
98.97610	1.9
99.04487	0.6
99.08089	0.9
105.01876	0.8
105.06979	0.5
107.08591	0.5
109.02850	0.5
109.10183	0.6
110.07158	0.6
110.97485	0.4
116.07079	0.4
116.98626	0.5
119.04968	0.5
120.08121	1.0
121.06540	0.3
121.10178	0.4
122.02747	0.4
122.06024	0.3
122.15750	0.3
123.11719	2.7
126.05641	0.3
127.03902	1.5
129.10229	0.8
131.08559	0.5
135.11662	0.4
136.07594	1.4
137.07980	0.6
141.12750	13.9
145.04982	0.7
145.10184	0.4
147.04245	0.4
149.07468	0.4
151.07007	0.4
158.99710	0.4
159.13821	10.0
159.15150	0.5
160.07654	0.5
177.05472	0.6
177.09158	0.4
177.14883	4.9
185.05656	0.4
216.86449	0.3
219.01773	0.5
237.02713	0.6
256.12820	0.3
267.15714	0.5
293.09927	2.7
295.11563	0.9
311.09647	0.7
321.10504	0.4
346.13516	0.5
389.14954	0.8
407.17297	0.7
425.14145	100.0
426.14294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.5
56.05027	1.5
56.96301	1.8
56.96568	26.0
58.51575	1.0
64.10195	1.2
67.05502	2.6
69.03434	3.1
69.07086	1.4
70.06602	6.3
71.04976	5.1
71.53664	1.0
72.08163	1.4
81.03443	2.0
81.07056	7.8
84.04504	1.3
84.08147	4.9
84.96040	6.2
85.02910	5.2
85.06528	3.8
86.09705	3.9
91.05489	2.1
92.57782	0.9
93.07043	1.5
95.04970	1.4
95.08596	2.5
97.02890	3.3
98.96943	1.7
98.97588	29.7
98.98543	1.4
107.04980	1.3
110.97569	10.1
112.99172	1.9
115.21913	1.0
116.98620	9.6
119.08593	1.6
120.08075	3.4
121.10152	1.3
123.11741	1.7
124.99129	1.5
127.04001	2.3
127.07587	1.3
128.98595	9.1
129.10249	2.4
131.00169	2.4
134.99660	2.1
136.07512	1.2
137.05984	1.2
140.98578	1.6
141.12753	7.4
143.00143	5.7
145.01843	1.3
145.04962	1.4
145.06578	1.1
146.99658	4.3
147.04417	3.4
152.98686	1.4
158.99649	4.1
159.13820	3.1
161.01205	7.3
163.03931	1.6
170.99699	2.7
177.00714	2.5
177.02191	1.7
177.14850	1.6
189.00793	2.4
191.00157	3.7
195.03357	5.5
201.00720	3.4
203.00349	1.1
209.01086	1.6
209.15450	1.6
213.04372	3.9
213.12376	2.1
219.01807	14.4
221.01146	8.7
221.03136	1.9
227.16286	1.2
237.02805	15.3
239.02301	27.9
239.69806	1.1
245.11462	1.6
257.03339	7.2
262.03537	1.3
263.02243	2.1
281.03510	1.4
305.03284	1.5
317.03409	1.7
347.05460	1.1
365.05466	100.0
366.05957	2.3
383.06461	7.3
406.08090	2.3
425.12674	1.5
425.17798	15.2
425.22815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82680	0.5
62.44400	0.5
71.01261	1.2
77.33489	0.5
81.03429	0.6
82.99834	3.0
86.69916	0.5
97.02889	2.0
101.00889	17.1
109.02938	0.6
113.00873	4.0
115.02464	0.6
118.08696	0.5
119.01924	14.3
127.02434	4.1
131.01904	6.0
133.03496	1.1
137.02960	1.1
139.02383	1.9
143.01907	36.9
145.03473	7.3
147.11362	0.6
153.03983	1.2
155.00650	0.9
155.01906	16.8
156.82848	0.5
157.03490	5.5
159.05142	0.5
161.02971	34.8
163.04558	0.6
167.01895	12.5
169.03496	3.1
171.05090	1.8
173.02980	16.1
179.01906	5.1
181.03479	0.7
184.04520	0.9
185.02972	32.4
187.04543	3.5
191.03989	3.4
197.02975	12.2
198.03091	0.7
199.04530	0.7
203.04028	11.9
209.03000	1.0
215.04018	6.3
219.07057	0.5
221.05066	1.1
227.04039	7.5
233.05093	0.5
239.04042	0.8
245.05092	100.0
246.05270	2.4
257.05075	4.9
263.06152	23.1
275.06113	14.5
275.08948	1.1
293.07117	3.2
293.15323	0.5
305.03757	0.5
305.07178	10.3
335.08279	3.6
345.11169	0.5
347.08490	0.7
356.23785	0.5
365.09305	9.0
425.11346	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60970	1.1
55.01862	2.0
55.05520	7.8
56.96553	2.7
57.03428	3.1
57.07068	2.2
59.07292	1.1
62.29315	1.1
66.43585	1.1
67.05510	8.0
69.03420	4.9
69.07072	24.2
69.21645	4.7
69.22075	6.8
70.03732	1.2
70.06588	1.8
71.04983	6.6
71.08615	1.4
73.02891	1.9
79.05484	5.3
81.03423	3.3
81.07053	27.4
82.51854	1.1
83.04976	4.4
83.08630	8.1
85.02905	31.5
85.06538	7.3
87.00809	1.6
91.05481	4.2
93.07043	5.3
95.04954	1.8
95.08615	10.3
97.02889	4.2
97.06539	5.0
98.97575	1.7
99.04459	8.3
100.11274	1.6
101.02399	3.3
101.05962	1.4
105.01859	1.6
105.06422	1.4
105.07049	10.0
107.08583	8.5
109.02876	1.4
109.06532	5.7
109.10169	1.5
113.05971	3.3
115.07546	1.7
119.08576	5.4
121.10143	11.3
123.08063	4.9
123.11713	27.8
127.03898	2.4
127.07583	10.6
135.11751	1.3
137.13255	3.2
138.09145	2.8
141.07005	13.4
141.09102	3.3
145.04901	1.7
147.11699	34.8
155.14320	7.1
158.58386	1.4
165.12755	24.5
171.11649	1.4
182.15359	1.5
183.13812	97.4
201.14862	100.0
215.06982	1.6
224.58443	1.3
267.09195	2.2
293.13223	1.6
293.63376	2.1
302.13803	2.9
302.63925	1.5
423.84332	3.1
424.10904	1.3
424.30780	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	424.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05286	0.6
55.05516	5.1
57.03446	3.6
62.06094	0.7
67.05176	0.9
67.05509	8.8
69.03410	3.0
69.07090	3.8
69.82536	1.0
69.82826	3.6
70.06579	1.7
71.04991	4.9
73.02895	1.7
79.05063	1.2
79.05494	12.3
81.03420	3.5
81.07061	18.7
83.04973	2.9
83.08622	4.4
85.02899	5.0
85.06510	1.0
86.09694	0.8
87.00819	1.5
91.05478	3.3
93.07045	20.0
95.04980	3.5
95.08612	18.6
97.02890	4.8
97.06535	3.8
97.10192	0.9
99.04445	3.2
101.01612	0.6
105.01863	1.7
105.07048	5.3
107.04958	5.6
107.08600	15.9
108.08923	0.7
109.02873	2.6
109.06519	2.2
109.10152	1.7
110.06997	0.7
111.04468	0.7
111.08098	1.7
117.07046	4.8
119.08600	6.2
120.08089	1.9
121.06493	3.0
121.10141	7.8
123.11701	3.4
125.05983	1.4
125.72256	0.7
127.03926	3.3
130.07813	1.2
131.08566	0.8
133.10152	1.7
135.08043	2.0
135.11702	30.1
141.12755	6.9
145.04984	0.9
145.10132	20.1
147.11824	0.8
149.09654	1.1
159.13818	3.0
163.11189	40.9
167.10690	1.9
169.08609	7.1
177.05603	0.7
181.12239	8.4
191.10664	1.9
209.11736	3.4
227.12798	58.4
231.05049	1.0
252.09346	0.9
252.15913	1.9
283.15408	100.0
284.15872	1.6
353.16034	1.7
363.11978	2.1
371.17114	1.9
380.10257	0.8
405.03983	0.7
424.09320	2.7
424.17886	3.8
424.22861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07348	0.6
52.60658	0.7
53.03940	1.1
55.01861	2.1
55.05509	4.7
56.96542	0.7
57.03440	3.8
67.05510	8.3
69.03414	1.8
69.07073	3.5
70.06593	1.5
71.04982	3.6
71.37134	0.7
71.54150	1.4
76.21479	0.7
79.05065	1.1
79.05495	11.9
81.03420	3.5
81.07063	12.3
83.04978	2.5
83.08618	4.5
84.08136	1.0
85.02911	3.5
85.06516	1.0
85.89849	0.7
86.09664	1.0
87.00785	0.8
91.05471	4.6
93.06488	1.3
93.07046	18.2
95.04987	3.2
95.08614	18.8
97.02892	4.7
97.06529	2.0
99.04441	3.9
105.07011	5.0
107.04953	3.6
107.08602	16.6
109.02864	1.9
109.06499	1.4
109.10137	2.0
111.04464	1.3
111.08071	1.3
113.06005	0.8
117.07022	4.5
119.08581	6.4
120.08062	1.9
121.06483	3.3
121.10152	7.8
123.08054	1.3
123.11699	2.5
125.06033	1.1
127.03927	2.4
130.07753	0.9
133.10147	1.2
135.08060	1.7
135.11696	29.0
139.07629	0.8
141.12730	2.5
145.09064	1.3
145.10136	19.0
149.09581	0.7
159.13818	0.9
163.11185	42.3
167.10648	1.9
169.08601	4.3
173.09673	1.0
181.12230	7.6
191.10693	1.8
193.19257	0.6
209.11755	3.3
216.06274	1.0
227.12787	58.6
228.13049	1.0
252.09366	1.1
252.15965	2.6
283.15402	100.0
284.15692	1.9
353.16003	2.0
363.12158	2.3
371.17087	1.7
380.10382	1.7
406.16373	1.3
424.09366	4.5
424.17261	4.1
424.23169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.11515	2.1
54.72482	2.6
55.05519	14.3
57.07062	10.4
65.03946	2.4
67.05509	23.6
69.07071	49.2
69.44145	11.1
69.44555	4.7
71.08599	3.8
79.05495	12.7
81.03416	3.0
81.07059	62.6
83.04960	5.4
83.08621	15.6
88.73989	2.6
91.05481	17.2
93.07052	30.4
95.08614	55.7
97.10143	4.9
105.07024	24.6
107.08590	30.8
109.06531	3.7
109.10157	72.0
111.11720	4.9
117.07012	4.5
119.08595	24.7
121.10158	23.4
123.11688	21.4
129.07010	4.0
131.08566	14.1
133.10138	22.7
135.11700	21.1
137.13245	9.9
138.60387	2.6
142.07703	2.5
143.08539	9.0
144.09312	2.8
145.10135	19.0
147.11700	18.7
149.13260	20.5
149.60718	2.9
155.08551	4.7
156.09438	3.4
157.10139	15.0
159.11705	20.2
161.13278	12.8
163.11185	2.3
163.14818	8.2
169.10138	4.2
171.11682	14.6
173.13298	10.5
175.14812	12.0
177.16443	4.0
183.11714	7.7
185.11789	3.3
185.13274	11.0
187.14870	10.5
189.16393	8.8
197.13226	9.3
199.14862	9.9
201.16389	11.3
203.14328	2.8
203.17786	4.9
211.14767	6.2
213.16425	8.8
215.18054	8.2
217.15880	2.8
225.16396	4.9
227.17920	6.0
229.19534	5.1
239.17915	4.9
241.19530	4.1
253.19582	5.9
255.20976	5.6
257.22653	5.5
267.20889	4.2
269.22733	4.2
271.20538	4.0
273.22125	5.0
279.21231	3.7
281.22815	5.1
283.24237	3.5
285.22263	2.6
299.23621	4.9
309.25723	2.9
323.27542	4.6
341.28479	5.3
349.28842	5.6
367.29980	9.4
371.29333	2.6
396.13068	2.8
405.35135	23.8
423.36212	100.0
424.36407	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
53.96576	3.7
55.05522	26.0
55.05751	4.2
55.98663	3.3
56.96592	4.0
57.07072	10.7
67.05510	55.3
69.07076	37.5
69.96601	20.3
71.08670	4.1
71.98473	3.5
79.05497	31.9
81.03412	9.5
81.07062	73.1
83.04988	3.5
83.08623	25.8
83.09618	4.5
85.06558	5.4
91.05488	29.6
93.07049	48.6
95.04988	7.6
95.07992	4.8
95.08611	97.1
95.09182	7.1
95.90431	3.5
97.10173	9.2
98.97574	4.1
105.07034	48.6
107.08587	63.2
109.06516	5.7
109.10162	68.5
110.89072	3.5
111.08108	4.3
111.11700	4.4
117.07014	8.0
119.08596	59.9
121.10152	44.0
123.08099	10.6
123.11722	27.2
129.07007	4.6
131.08582	24.0
133.10133	43.8
135.11691	29.0
137.13257	20.2
142.07771	6.2
143.08568	11.3
145.10127	29.9
147.11719	25.3
149.13240	25.2
151.11122	4.5
155.08572	5.6
157.10106	21.4
159.11732	38.8
161.13303	21.7
163.14854	9.3
169.10182	7.6
171.11708	14.0
173.13283	18.5
175.14821	12.3
177.16409	7.7
179.14278	8.4
183.11711	6.0
185.13258	16.5
187.14867	14.9
189.16351	11.6
195.11629	4.8
197.13292	5.8
199.14854	10.5
201.16400	8.2
203.17950	10.5
211.14835	4.5
213.16391	9.4
215.17996	11.5
217.19524	6.4
225.16289	5.5
227.18056	8.7
229.19467	7.6
239.17990	6.0
241.19476	6.4
243.21146	6.7
255.21184	5.6
260.15103	4.6
313.25217	4.8
349.28830	4.4
367.29504	5.8
405.35117	24.0
423.26608	3.9
423.31305	16.7
423.36322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03954	2.9
55.05516	16.4
57.07074	12.5
59.05014	3.2
67.05506	39.4
69.07076	51.9
70.58431	8.3
71.08637	3.0
79.05500	23.0
81.07063	88.4
83.04967	10.0
83.08622	12.5
91.05482	15.0
93.06494	3.2
93.07050	39.6
93.47466	2.4
95.08611	77.1
97.06541	3.8
97.10178	5.7
101.90320	3.0
103.41683	2.5
103.51281	2.4
105.07039	57.8
107.08603	42.9
109.06528	4.2
109.10160	67.0
111.11727	5.2
117.07034	6.4
119.08580	35.8
121.10168	30.6
123.08109	3.0
123.11722	24.7
129.07050	5.8
131.08578	20.7
133.10124	27.4
135.11696	23.7
137.09653	4.3
137.13287	14.1
143.08543	12.2
145.10139	26.4
147.11699	26.2
149.09654	4.0
149.13293	17.7
151.11107	3.6
152.03555	2.5
155.08536	3.4
157.10139	15.9
159.11726	22.0
161.13271	14.8
163.14854	6.9
169.10129	6.3
171.11688	15.4
173.13269	19.1
175.14850	16.4
177.16438	7.9
179.14339	2.6
183.11719	5.4
185.13280	10.5
187.14862	12.9
189.16412	8.1
197.13269	7.3
199.14877	8.9
201.16481	16.3
203.14404	3.7
203.17973	3.7
205.19539	5.2
209.13345	3.8
211.14838	4.8
213.16452	7.5
215.17987	7.2
217.15901	3.4
217.19533	2.6
221.15334	3.8
225.16565	4.6
227.18013	5.6
229.19489	3.8
231.17392	3.9
239.17825	3.3
241.19470	6.7
243.21146	3.4
253.19478	5.0
255.21101	5.5
267.21036	4.1
269.22766	6.4
281.22754	5.1
285.22067	5.5
295.24561	4.1
299.23587	3.1
309.26019	3.4
323.27438	3.4
341.28531	4.7
345.71561	2.9
367.30063	6.4
405.34967	14.2
423.36261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05273	0.6
55.05515	8.4
56.11747	0.6
57.03422	2.2
57.07088	4.1
67.05174	1.2
67.05508	14.1
69.03432	1.1
69.07075	17.4
69.61955	4.5
71.05002	1.6
71.08632	3.3
77.87310	0.7
79.05500	7.9
81.07063	22.0
82.92291	0.7
83.04977	2.4
83.08620	6.7
85.06536	1.5
91.05480	6.2
93.07059	12.4
95.04978	1.4
95.08614	20.9
96.08878	0.7
96.79648	0.6
97.06544	2.1
97.10179	2.5
98.20729	0.8
99.08102	1.5
105.07034	9.6
107.08598	14.1
109.06526	10.3
109.10160	14.5
111.08087	1.6
113.00043	4.4
117.07027	0.7
119.08589	12.5
121.06545	0.9
121.10161	9.4
123.08077	38.2
123.11713	6.0
125.09641	1.7
129.06955	1.4
131.08559	3.7
133.10144	9.4
135.08044	7.7
135.11696	5.4
137.09624	2.6
137.13301	2.0
143.08571	2.1
145.10159	4.7
147.11693	6.3
149.09615	2.1
149.13272	5.0
151.11247	1.3
151.14886	0.7
155.08623	0.8
157.10147	3.0
159.11685	6.1
161.13229	4.1
163.11160	1.2
163.14891	1.9
165.12840	1.5
169.02652	3.5
169.10109	1.3
171.11711	2.7
173.13272	3.2
175.14886	2.8
177.12874	2.0
177.16405	2.3
179.14330	40.9
183.11664	0.8
185.13264	1.7
187.14845	2.8
189.16281	1.5
191.14299	1.3
191.17972	1.5
193.15950	2.0
197.13316	1.4
199.14825	2.6
201.16469	3.1
203.18088	1.2
205.15967	2.7
211.14827	1.2
213.16347	1.3
215.17981	1.2
221.15419	1.0
225.16422	0.9
227.17992	1.0
229.19853	0.8
233.19061	1.8
243.21210	0.7
253.19640	0.8
255.21185	1.4
263.20175	0.8
265.19760	0.9
269.22833	0.9
271.20770	0.7
271.24475	0.9
275.20145	2.9
283.24313	0.8
293.21219	2.6
299.23853	1.1
303.26971	2.1
311.25845	5.5
318.57648	0.7
331.26346	24.9
332.32401	0.8
338.50342	0.8
339.30222	0.7
341.28397	1.4
343.65247	0.7
349.27515	6.1
367.24814	1.2
405.30264	1.4
405.34741	3.3
413.00931	0.9
423.31119	100.0
423.36279	12.0
424.31567	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05511	5.6
56.96564	0.8
57.03428	2.1
57.07066	2.6
67.05505	8.1
69.07074	7.6
69.50423	3.5
69.50838	1.5
69.90768	0.6
71.05000	1.5
71.08613	2.2
71.54605	0.6
72.75341	0.6
79.05501	4.3
81.03419	0.7
81.07058	12.2
83.04996	1.0
83.08630	3.4
85.06542	1.0
86.50860	0.6
91.05489	4.1
91.74722	0.7
93.07054	7.3
93.85729	0.7
95.04974	1.0
95.08592	10.0
97.06512	2.0
97.10137	1.5
99.08049	0.9
105.07028	4.5
107.08596	6.5
109.06516	9.1
109.10156	4.4
109.66196	0.6
111.08084	1.7
119.08575	5.4
121.06487	1.1
121.10166	4.0
122.01837	0.7
123.08073	37.0
123.11707	1.9
131.08586	1.3
133.10173	4.0
135.08031	4.6
135.11687	2.7
136.93127	1.3
137.09625	3.1
145.10126	2.0
147.11690	3.0
149.09645	2.0
149.13277	2.0
151.11217	0.8
154.94234	1.0
157.10109	0.8
159.11717	2.3
161.13283	2.5
163.14813	0.7
165.12753	0.8
173.13290	1.3
175.14790	1.2
177.12737	3.2
179.14316	27.7
193.15839	0.9
205.15897	1.7
228.97981	0.8
233.18962	1.0
247.20757	0.9
263.20056	1.5
275.20096	3.1
289.25101	1.0
293.21130	2.6
303.26773	4.0
311.26004	1.2
313.25186	0.8
331.26312	26.0
349.27304	6.5
363.18332	2.5
367.24936	1.8
405.30258	1.6
423.31088	100.0
424.31528	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	3.1
53.03935	10.1
55.01863	6.7
55.05510	35.9
56.96568	34.8
57.03425	9.4
57.07066	5.4
61.02921	2.2
65.03925	6.4
67.05509	95.7
69.03432	31.4
69.07071	31.3
70.32557	4.9
70.98115	9.8
71.04975	9.0
73.02887	4.5
79.05495	77.8
81.02987	3.6
81.03423	44.3
81.07059	100.0
83.04982	14.3
83.08613	20.1
85.02914	17.9
85.06524	6.3
88.99147	3.9
91.05484	60.2
93.07051	89.0
95.04969	15.5
95.07995	3.6
95.08607	72.5
97.02903	12.5
97.06543	10.6
97.10165	6.4
98.97576	21.2
99.04433	9.6
99.08080	4.2
103.03905	2.4
105.04482	3.6
105.07039	67.1
107.04936	7.3
107.08593	49.5
109.02844	6.6
109.06512	11.6
109.10157	35.6
111.04430	12.9
111.08051	4.2
115.05416	4.6
116.98615	9.8
117.07019	28.6
119.08584	58.6
121.06493	9.7
121.09336	4.1
121.10137	42.1
123.04414	3.3
123.08059	9.6
123.11704	12.2
125.05954	2.2
125.09634	3.7
127.03909	6.1
128.06255	4.6
129.05501	4.2
129.07016	16.8
131.08569	39.1
133.06496	7.1
133.10135	33.2
134.99622	3.1
135.08047	7.7
135.11725	25.6
137.09656	3.1
137.13217	2.4
139.11145	3.9
141.02261	2.7
141.06990	6.3
142.07773	4.9
143.08549	15.6
145.04912	2.5
145.06454	3.3
145.10121	36.5
147.08028	8.1
147.11700	31.3
149.09653	4.9
149.13272	18.3
151.00572	2.6
151.07533	4.0
153.02211	2.8
155.08539	6.1
157.10097	14.1
159.03218	2.2
159.11685	26.4
161.09616	5.2
161.13272	19.8
163.11150	2.6
163.14796	6.5
165.07016	3.2
165.09151	3.1
165.12738	2.8
169.01718	3.0
169.10114	9.9
171.03261	3.1
171.11688	14.8
173.04811	3.5
173.09598	7.3
173.11852	4.1
173.13245	19.5
175.11212	4.8
175.14832	8.4
177.12720	3.4
178.07944	2.4
179.08604	2.9
179.14258	9.9
181.10127	3.5
183.11681	6.8
185.09581	4.0
185.13303	10.4
187.02631	2.4
187.11201	3.3
187.14749	6.8
189.12732	3.1
193.10153	2.6
195.11740	4.0
195.13765	3.2
197.13266	5.1
199.14798	8.6
201.12801	2.8
201.16357	5.9
203.14357	3.4
209.13278	4.0
211.06485	3.6
211.14812	4.5
213.12750	2.6
213.16307	3.9
215.14320	2.6
217.15884	2.2
225.04286	2.6
233.08572	2.7
237.07858	3.5
241.19449	3.9
243.09161	4.5
243.21208	4.1
247.16782	2.7
249.14806	4.7
251.09590	6.7
255.21138	2.8
259.20575	14.7
261.11670	2.6
261.18616	2.0
261.19598	2.6
261.22183	24.9
265.11151	9.1
267.09079	4.7
269.10587	8.5
273.11679	4.6
273.22134	7.1
275.16455	2.4
275.20081	3.6
275.23694	4.9
277.13687	3.4
277.21805	13.0
279.23193	3.2
283.12210	25.1
285.10101	4.9
285.22147	3.7
289.21606	8.7
291.12784	5.9
291.23184	7.2
292.12186	4.8
297.22073	2.8
299.11627	5.5
301.21585	7.5
303.23166	16.8
305.14194	19.5
306.13882	3.2
309.13901	3.6
313.21677	4.9
315.23148	5.1
317.17529	3.8
319.22519	4.3
321.24536	3.3
323.15280	13.7
325.13037	7.5
327.22977	4.1
341.24670	7.2
345.24130	5.2
349.16925	4.4
351.23138	9.4
359.26105	2.4
363.18320	7.4
369.24298	30.9
371.74707	2.6
387.25284	27.1
405.21222	3.2
405.26334	38.9
414.21259	2.5
423.20480	30.3
423.27264	29.7
423.31430	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.5
55.01862	6.3
55.05315	3.1
55.05516	30.7
55.75468	2.7
56.96564	15.0
57.03436	4.9
57.07079	5.2
59.04996	4.3
67.05507	97.9
69.03438	16.2
69.07069	21.8
70.98114	2.6
71.01350	4.0
71.04992	8.3
71.54198	2.5
73.02924	4.1
79.05494	76.3
80.38007	2.3
81.03413	14.8
81.07060	100.0
83.04989	6.9
83.08628	14.9
85.02897	11.4
85.06524	6.3
91.05489	47.5
93.07048	87.5
95.04974	9.4
95.08607	67.5
97.02895	74.2
97.06543	8.3
97.10187	5.7
98.97581	17.9
99.04471	14.7
101.27263	2.3
105.07027	42.5
107.04935	2.9
107.08598	51.7
109.02892	9.9
109.06547	5.9
109.10163	43.5
111.04482	3.5
111.08126	6.0
116.98595	12.9
117.07035	15.5
119.08572	40.9
121.06519	4.0
121.10154	51.9
123.08087	13.6
123.11718	10.0
127.03905	28.5
129.06927	4.8
131.04907	3.1
131.08569	28.5
133.10141	21.4
134.99689	4.1
135.08057	3.8
135.11703	27.9
137.13298	4.5
143.08578	7.2
145.06523	3.7
145.10143	23.5
147.08051	3.5
147.11685	24.3
149.09656	3.3
149.13246	16.9
151.07596	3.6
157.10115	5.4
159.08063	4.6
159.11707	24.0
161.09630	4.2
161.13232	13.9
163.11201	3.0
163.14818	6.8
164.56593	2.5
169.10155	3.1
171.11765	5.4
173.01195	2.5
173.09639	3.4
173.11815	5.0
173.13257	15.7
175.14833	7.6
179.14339	14.9
183.11772	4.7
184.07254	3.0
185.09619	2.9
185.13249	2.9
187.14809	6.5
194.28696	2.4
195.13797	2.7
199.14890	2.8
201.12810	3.3
201.47343	2.3
203.14471	3.1
203.17645	2.5
205.15865	4.6
209.13179	2.5
213.09641	2.6
223.14941	3.3
235.16998	2.8
243.21144	7.4
257.10751	3.4
259.20563	10.4
261.22165	44.4
273.22162	5.4
287.20200	3.1
321.22385	3.1
326.10364	27.4
329.24905	6.2
331.26215	6.0
339.23157	8.7
344.97992	2.7
357.24295	10.6
363.18433	26.9
369.24075	6.0
381.19547	2.7
387.25427	4.0
405.19571	27.1
423.20428	13.0
423.27225	23.1
423.31372	21.6
435.75650	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.7
55.01868	6.9
55.05515	28.3
56.96550	6.8
57.03428	9.1
57.07062	7.3
60.08165	6.5
67.05511	100.0
69.03430	21.6
69.07068	25.1
69.82552	3.3
71.04985	9.6
71.53733	3.9
71.54116	4.2
73.02895	4.8
79.05500	54.4
81.03427	30.3
81.07059	76.0
83.04974	13.9
83.08615	19.2
85.02900	9.6
85.06586	4.5
86.09683	10.1
87.10032	5.2
90.65233	3.3
91.05482	39.5
93.06483	5.6
93.07045	66.6
95.04962	10.1
95.08620	47.9
97.02872	8.4
97.06527	11.7
97.10192	7.6
99.04463	5.9
99.08105	3.4
103.03916	3.2
104.10734	48.9
105.07040	47.7
105.11082	11.7
107.04969	5.8
107.08606	37.6
109.02876	5.4
109.06487	7.1
109.09476	4.5
109.10168	55.9
111.04447	7.8
111.08024	5.8
117.07018	19.0
119.08588	32.5
121.06496	7.0
121.10151	27.8
123.04441	4.5
123.08073	10.9
123.11701	6.7
125.00030	9.3
127.03876	4.6
129.06966	11.1
131.08595	24.7
133.06476	3.4
133.10124	28.9
135.08047	8.7
135.11703	23.3
142.07771	4.3
143.08533	13.8
145.10121	20.8
147.08044	7.3
147.11656	19.3
149.09579	4.4
149.13258	18.6
155.08539	6.5
155.10622	4.9
156.91013	3.7
157.10136	6.1
159.07988	3.9
159.11711	16.2
161.13251	7.1
163.11110	5.5
163.14845	5.3
167.10667	6.0
169.10213	5.5
171.11705	8.1
173.09676	4.6
173.11699	12.1
173.13237	12.5
175.11159	4.6
177.12828	4.4
179.14253	5.5
184.07352	8.7
185.09616	3.7
185.13295	8.3
187.11194	4.5
187.14757	4.5
195.13837	7.0
197.13304	4.0
199.14830	5.0
213.16383	4.8
229.07419	9.1
259.20599	4.5
261.22076	9.8
267.09055	6.1
273.22260	4.2
289.21622	6.9
301.21481	4.8
303.23267	8.4
319.22485	4.7
351.23181	5.1
369.24271	19.1
387.25259	19.0
405.26407	24.4
408.00177	3.6
423.27032	48.3
423.31662	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	423.274
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03939	4.5
55.01877	4.6
55.05512	23.7
57.03441	5.8
57.07067	3.9
59.04991	4.1
65.03944	4.4
66.78443	2.2
67.05508	100.0
69.03435	13.7
69.07075	23.6
69.86606	6.1
69.87022	8.1
71.01384	3.3
71.04984	7.4
79.05495	48.5
81.03419	15.3
81.07059	70.2
83.04969	6.7
83.08622	15.7
84.08167	3.9
85.02911	10.4
85.06544	4.1
91.05481	36.8
93.07045	60.4
95.04969	11.3
95.08612	44.1
97.02914	10.7
97.06512	7.9
97.10168	7.1
99.04436	3.2
99.08098	2.8
105.07027	29.3
107.04961	3.6
107.08591	35.4
109.06503	6.5
109.09477	3.7
109.10168	43.0
111.04457	5.5
111.08041	4.9
111.30986	2.6
117.06998	17.0
119.08585	23.9
121.06564	3.2
121.10149	25.3
123.08085	5.8
123.11715	8.0
125.09644	3.4
127.03886	4.4
129.07033	6.8
131.08563	20.6
133.06480	3.2
133.10130	25.4
135.08087	4.3
135.11687	20.3
137.09590	5.4
141.07002	3.1
142.07779	3.8
143.08580	8.9
145.04906	3.8
145.10109	14.5
147.08011	2.8
147.11691	14.8
149.09645	2.8
149.13251	17.2
151.07507	2.4
154.20226	2.4
155.08582	3.4
155.10585	3.4
157.10149	3.9
159.08025	2.5
159.11717	15.9
161.09489	2.6
161.13286	7.2
163.14825	2.7
165.12761	3.7
169.10143	5.9
171.11618	5.3
173.11748	12.8
173.13300	8.9
175.11214	3.4
175.14809	2.9
177.12712	3.1
177.16289	2.9
179.14322	7.2
181.10139	2.8
183.11710	4.8
185.09610	5.1
185.13268	4.4
187.11263	3.8
187.14839	6.7
195.11880	4.0
195.13786	6.9
196.07928	2.3
199.11246	3.9
199.14819	2.5
211.11284	3.0
241.19315	3.3
243.21043	4.2
259.20731	6.4
261.22150	20.6
277.14017	2.6
277.21716	5.6
279.23209	3.5
289.21597	4.9
301.21667	4.8
303.23096	6.5
315.23218	5.8
331.26291	3.4
350.89667	2.8
351.23175	6.4
358.16327	3.5
369.24295	13.1
377.63947	4.6
387.25433	14.9
405.26303	18.2
423.27127	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	423.2227
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	8.0
55.01866	7.1
55.05511	31.2
56.96566	3.2
57.03420	6.7
57.07077	17.8
61.02923	6.0
67.05489	6.0
68.99780	2.4
69.03433	47.5
69.07070	32.4
70.06583	2.2
71.04983	7.6
71.08620	3.2
71.53829	2.2
71.54201	2.0
73.02919	5.6
74.06085	3.4
79.05490	5.6
81.03429	27.2
81.07053	11.6
83.04964	3.8
83.08624	94.0
84.08170	2.5
84.96035	2.4
85.02909	98.3
85.06555	2.8
86.09715	22.1
87.00832	46.2
87.10046	5.2
91.05483	8.1
93.07062	6.0
93.60000	2.0
95.04967	5.1
95.08598	6.9
97.02896	33.3
97.06523	10.8
97.10180	31.7
98.97566	6.8
99.04448	16.0
105.01878	60.3
105.07029	8.6
107.04958	2.6
107.08563	5.3
109.02890	41.3
109.06491	3.2
109.10138	6.1
111.04422	3.7
116.98627	2.6
117.07003	2.7
119.08574	5.8
120.08105	6.3
121.06513	3.9
121.10136	6.2
127.03928	100.0
128.98624	2.5
129.01825	3.9
129.06976	1.7
131.08600	3.5
133.06462	3.3
133.10147	7.1
135.08133	2.7
143.08539	4.7
145.04962	18.0
145.05949	2.5
145.06490	2.0
145.10110	4.1
147.08002	4.6
147.11681	6.2
157.10107	3.3
157.15891	64.1
158.99646	2.4
159.02893	3.5
159.11734	3.0
161.01149	2.0
163.03954	3.8
167.07133	2.5
167.08629	1.9
171.11736	2.4
173.13277	4.0
175.14835	3.7
191.14297	6.0
213.03897	5.6
213.12637	2.7
215.06920	2.4
219.62854	2.1
231.04956	25.9
240.14200	2.1
259.09818	6.0
377.01852	5.1
387.19943	2.5
423.12561	8.8
423.24509	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	423.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05491	3.2
56.96566	81.0
67.05503	9.1
69.07056	4.5
69.71523	3.5
69.71918	2.8
70.98128	21.1
71.95260	4.3
79.05479	6.2
79.32322	1.3
81.07056	8.9
83.04984	2.5
83.08615	1.8
84.96027	4.0
88.99136	2.5
91.05481	3.9
93.07034	5.7
93.67390	1.4
95.08602	6.3
97.96792	2.6
98.21587	2.3
98.91992	1.6
98.97584	76.1
105.00160	2.0
105.07036	6.9
107.08591	4.2
109.06558	1.9
109.10163	4.8
115.00729	2.7
116.98618	37.4
119.08559	3.8
120.59941	1.3
121.10143	2.9
123.01238	2.0
123.08037	3.8
127.00678	5.1
129.07040	1.8
131.08582	3.3
133.10071	2.5
134.99637	12.2
135.08134	1.6
139.00667	3.2
140.00194	6.4
141.02209	4.9
143.08533	2.3
145.01706	1.6
145.10144	3.4
149.09598	2.1
151.00647	1.9
153.02277	3.2
154.41653	1.3
155.00272	1.7
155.03769	4.4
157.01768	2.5
157.10133	4.6
158.01277	3.1
159.03307	2.3
167.00063	1.8
167.03844	2.1
167.10631	2.0
169.01791	4.2
169.05423	3.9
169.10202	1.7
171.03282	6.3
173.04849	6.7
179.14345	4.7
180.49634	1.6
181.05515	1.8
183.03323	2.2
185.04860	4.0
187.02794	3.1
187.06424	4.7
191.03865	1.5
193.05325	1.7
195.06934	2.6
197.04897	1.6
199.06473	3.5
203.05939	2.1
205.05481	1.9
205.07469	1.9
205.54988	1.5
207.06935	3.4
209.08572	3.9
211.06480	5.7
213.08005	2.2
215.06035	1.7
219.06870	1.7
221.08504	2.2
223.06367	4.7
225.08035	4.5
227.09581	2.6
229.07431	1.5
231.07127	1.9
233.08563	5.2
235.06470	2.5
237.08086	5.8
239.09644	4.6
243.08957	2.1
249.08075	11.7
251.09544	33.4
253.11162	2.0
255.09074	5.7
257.10602	2.7
265.07950	2.2
265.11096	49.4
267.09058	20.5
269.10602	48.8
273.10074	1.7
281.10565	11.5
283.12177	100.0
285.10135	14.2
287.11716	3.8
290.10651	2.1
292.12320	7.4
294.11401	1.7
299.11688	27.2
301.13208	4.3
303.11212	2.5
306.13693	17.1
311.11624	27.5
312.12421	4.2
317.12845	3.8
322.13287	6.3
325.13223	72.2
326.10291	2.4
329.12344	1.8
330.13379	2.1
331.15750	3.1
341.12698	18.3
343.14429	3.2
345.17352	2.3
349.16840	5.3
352.14279	2.7
361.16617	2.9
363.18396	20.7
366.15802	3.1
381.19525	3.3
405.19473	4.2
423.20593	63.2
423.26349	2.7
423.32123	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	423.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99986	2.2
50.85415	2.1
51.02386	1.7
51.86399	1.7
53.03967	3.0
55.05505	5.7
56.96569	59.1
57.03467	1.8
60.85001	1.8
67.05503	16.7
69.03426	5.3
69.07069	6.1
69.97112	2.2
70.98118	14.1
71.04996	2.7
71.53391	2.0
71.53758	2.3
71.95279	4.4
77.44296	2.3
79.05488	13.0
81.03416	5.4
81.07055	19.4
83.04945	3.1
83.08615	4.6
84.96053	2.1
88.99160	2.7
91.05494	9.9
93.07050	17.9
95.08633	11.1
98.97589	100.0
105.07021	12.5
107.08624	11.9
109.06545	2.9
109.10158	10.0
111.04453	2.9
116.98624	56.6
117.07063	4.7
119.08604	9.3
121.10137	6.4
121.64624	1.8
123.08060	5.9
123.11707	3.3
127.00663	2.4
129.07045	2.8
131.08568	6.9
133.10120	7.5
134.99643	22.4
135.08075	2.5
135.11678	6.7
137.09615	3.9
139.11197	2.3
140.00214	9.4
141.02275	2.6
143.08548	3.5
143.49261	2.1
145.01723	1.9
145.10144	5.7
147.08078	1.9
147.11719	5.3
149.09575	2.2
149.13264	4.6
153.00677	2.0
155.03773	5.4
157.10132	4.7
158.01271	3.8
159.11740	3.1
161.13214	2.1
169.05345	2.0
169.10162	2.8
171.11552	1.8
173.04887	4.9
173.13310	4.6
177.12672	2.4
179.14322	7.4
181.05319	2.6
181.10280	2.0
185.04866	2.4
187.06400	2.9
191.03940	2.0
192.58072	1.9
195.06976	6.5
205.07462	2.5
211.06450	10.6
213.08064	3.7
225.08073	5.2
227.09677	2.6
229.07510	11.7
239.09637	2.2
243.09053	20.6
247.08582	3.2
249.07813	2.6
251.09570	10.6
253.07468	3.0
257.10562	5.0
261.10135	11.9
261.22134	3.3
265.11096	17.6
267.09039	5.8
269.10660	19.5
281.10635	2.2
283.09293	3.0
283.12189	42.0
284.11850	2.9
285.10098	91.9
287.11633	2.2
291.12610	5.5
292.12219	5.3
299.11597	11.0
301.13290	2.9
303.11169	23.5
305.14273	19.4
306.13727	5.8
309.13727	3.8
311.11575	7.1
323.15219	5.1
324.14548	2.6
325.13242	26.4
326.12845	14.2
331.26138	2.4
341.12775	4.5
349.16901	3.4
363.18390	13.5
365.16327	3.4
369.24286	3.1
387.25406	2.9
405.26349	2.7
423.20587	63.5
423.31210	11.1
423.36426	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	422.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72078	0.2
55.05507	0.4
56.05030	0.7
56.96548	0.3
57.07072	0.2
58.06602	0.9
60.08166	10.3
67.05514	1.2
69.07063	0.9
70.06594	0.3
71.07373	3.5
71.19487	0.2
71.54618	0.3
79.05484	0.4
81.07057	0.9
83.08612	0.5
86.09708	27.0
87.53885	0.2
91.05497	0.3
93.07064	0.3
95.08615	0.9
97.02865	0.2
98.98474	3.5
104.10748	100.0
105.11064	0.5
107.08615	0.3
109.10169	0.7
119.08625	0.2
124.68365	0.2
125.00011	18.9
133.10182	0.4
139.75125	0.2
143.34756	0.2
184.07350	23.6
229.07486	0.6
247.08711	0.3
262.28110	0.2
267.09091	0.2
318.11130	0.2
422.30319	20.4
423.30740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
54.19434	0.9
55.01867	1.4
55.05512	1.7
55.51616	0.8
56.37775	1.0
57.07062	1.1
58.99603	1.8
60.04509	1.6
61.01143	5.8
67.05500	1.8
69.03442	2.2
70.06598	2.1
70.57173	3.3
70.86843	0.9
71.04983	1.1
72.04517	10.2
72.08147	4.3
73.02908	2.0
76.02246	2.2
78.03791	17.6
79.05499	1.5
81.03403	1.1
81.07047	1.2
83.04984	1.9
84.04492	2.4
84.08154	2.8
85.02911	10.8
85.06550	2.3
86.06080	2.6
86.09711	3.1
88.02223	5.1
91.05465	2.1
93.07068	1.4
97.02879	1.5
98.02404	1.8
98.97556	2.6
99.04474	6.2
99.05578	3.8
102.03768	24.0
103.02144	2.5
103.03941	14.0
104.01594	1.1
107.08560	1.1
109.02885	4.9
112.99131	1.6
113.06014	2.4
114.03764	4.0
115.02126	1.0
120.04797	4.1
120.08134	4.9
124.07572	1.8
126.05519	20.9
127.03910	6.2
129.10332	1.0
131.06403	11.2
132.04802	14.0
136.07600	4.9
141.06573	1.6
142.08672	5.3
149.07445	49.0
152.07121	2.0
153.05432	1.7
154.08644	1.1
159.05835	2.9
164.12047	0.9
174.09129	2.4
175.05391	2.5
175.09680	1.2
175.11110	1.0
177.05624	1.4
180.06554	11.9
184.09694	1.9
185.16858	1.2
196.07646	1.3
198.07648	4.8
199.13370	1.2
205.09792	1.0
214.08714	1.1
216.08704	1.9
217.09874	1.0
225.10295	2.3
231.11620	4.4
239.08121	2.1
240.08990	2.8
241.09692	3.6
242.10042	4.3
243.11296	2.0
244.11708	1.8
253.09625	2.0
255.11235	1.2
259.10718	2.4
260.11020	2.8
261.12711	3.1
263.07446	2.9
271.10815	4.8
275.10666	2.4
283.10919	1.5
284.11588	1.4
286.12643	1.8
293.11667	100.0
294.12064	1.3
299.10278	2.2
301.11884	1.2
302.12106	4.1
318.13934	3.1
327.09897	6.1
342.12787	1.1
345.10770	6.4
351.13480	2.3
363.09689	1.5
369.14575	5.5
387.11530	4.7
387.15683	2.9
405.12448	10.4
405.16949	30.2
423.13815	20.3
423.22202	1.5
427.13101	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	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33691	1.0
51.39185	0.8
54.49113	1.0
55.01867	1.8
55.05500	3.8
57.03424	3.2
57.07049	1.1
59.05003	1.5
60.04527	8.6
61.02905	1.3
62.93871	0.9
67.05495	3.7
68.05002	1.0
69.03430	6.2
69.07072	11.1
70.06593	3.3
71.04983	2.8
71.54283	1.3
72.08139	3.5
73.02910	1.3
73.08489	1.1
74.06071	4.3
79.05493	3.0
81.03432	5.4
81.04529	2.5
81.07045	6.4
83.04984	3.3
83.08646	1.3
84.04514	6.7
84.08126	1.2
85.02914	11.5
85.06541	2.1
86.03242	0.9
86.09713	16.0
87.00819	2.3
91.05491	3.9
91.13952	0.9
93.07046	7.3
95.04967	2.9
95.08612	8.3
97.02891	6.6
97.06525	4.8
98.97566	1.0
99.04478	4.7
101.06039	1.1
105.07056	7.9
107.04957	1.1
107.08601	9.5
108.05618	18.8
109.02888	1.7
109.06512	5.3
109.10153	5.1
110.07124	1.6
111.04460	0.9
111.08080	9.4
113.03476	1.1
114.05544	1.2
115.07586	8.6
119.08601	9.6
120.08089	3.2
121.06492	2.4
121.10158	9.4
123.08084	13.9
123.11734	2.6
125.09646	2.0
127.03905	2.8
131.08545	3.1
133.06552	2.4
133.10136	5.0
135.08067	2.9
135.11731	1.3
136.07579	2.6
137.09627	7.0
137.89679	1.0
139.11205	5.6
143.08499	1.3
145.04958	2.4
145.10149	3.4
147.08040	2.9
147.11687	8.8
148.12010	1.1
149.09631	20.1
151.07524	5.7
151.11148	5.1
153.09135	1.4
154.06139	23.3
156.08087	1.1
157.12241	1.2
160.07629	2.2
161.09618	1.1
161.13261	10.8
162.10175	1.2
163.03848	1.1
163.11183	2.0
165.12764	3.2
171.11748	5.0
172.14984	1.1
174.07654	9.7
174.09088	1.9
174.10397	1.7
179.14317	2.7
181.12236	1.1
189.12759	23.4
197.12717	1.0
199.13263	3.5
203.08138	2.0
207.13814	41.1
208.14354	1.0
214.84100	1.0
225.14873	100.0
226.15231	1.5
237.12256	1.0
243.15973	13.4
284.07132	1.1
294.46686	1.0
313.15186	1.6
354.07916	1.2
404.11691	1.6
422.05713	2.0
422.12982	2.8
423.02472	1.0
423.12854	1.2
429.24884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.9
54.78319	2.6
55.01878	2.9
55.05504	10.0
56.96563	9.0
57.03436	5.5
59.04992	3.9
60.04511	2.9
61.02913	3.3
67.05502	20.3
69.03423	7.4
69.07077	17.2
69.95266	13.2
70.06577	8.4
71.05002	7.8
72.08154	7.4
73.02927	2.9
79.05495	14.6
79.64312	2.7
81.03427	33.2
81.07059	24.5
83.04981	9.4
83.08620	4.8
84.04499	5.6
84.08139	9.9
85.02428	3.7
85.02904	26.1
85.06536	5.9
86.09695	7.5
87.04465	3.6
88.07624	4.8
91.05481	30.3
93.07053	86.2
95.04980	27.1
95.08617	33.8
97.02898	10.0
97.06516	5.8
98.97589	25.0
99.04468	5.2
102.05534	2.7
104.07106	11.8
105.07038	35.6
106.21799	2.8
107.08606	36.1
109.06523	13.3
109.10175	47.3
110.97620	2.8
111.08078	6.4
113.06002	4.8
116.98632	10.9
117.07043	7.3
119.04980	4.2
119.08585	62.9
120.08120	13.1
121.06501	6.6
121.10143	30.1
123.08101	8.6
125.05988	3.5
127.03893	4.2
129.10263	4.3
131.07059	3.0
131.08588	19.4
133.10129	18.6
135.11694	5.6
137.09625	80.8
139.11229	3.4
143.08603	6.6
145.04948	5.1
145.10129	8.8
146.99591	3.3
147.08043	7.0
147.11708	25.8
149.09622	16.3
149.13272	6.4
151.07520	4.8
155.10657	43.9
156.08163	6.1
156.09378	4.8
157.07591	7.8
159.11700	14.4
161.01242	2.7
161.13255	32.2
163.03951	8.8
163.11156	3.9
165.12740	22.3
167.10666	3.8
169.08649	3.7
170.08131	18.3
171.11755	10.7
177.12758	17.1
179.14360	6.5
188.09085	2.8
189.12746	42.8
195.13817	41.2
207.13802	100.0
219.01837	3.2
223.32869	3.1
225.11555	2.8
225.14876	59.3
226.07428	6.3
227.11848	7.6
229.70386	2.5
237.02748	3.3
240.08891	4.6
242.09265	12.6
243.15958	15.3
255.11324	23.1
276.13092	3.4
283.10742	12.8
301.11844	34.2
335.06760	4.1
368.24344	5.5
373.02438	2.9
422.17346	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	422.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01871	3.7
55.05522	8.9
56.96556	3.3
57.03429	8.6
67.05241	1.8
67.05515	21.5
69.03423	7.9
69.07075	9.1
70.06583	3.1
70.79379	4.7
71.05006	3.4
72.08183	2.3
79.05076	2.5
79.05497	30.0
81.03426	12.0
81.07063	21.9
83.04988	10.3
83.08606	5.1
84.04134	2.1
84.04518	21.4
85.02911	11.9
85.06571	2.0
86.09700	2.6
87.60931	2.3
87.63589	1.6
91.05500	21.7
93.07052	26.3
95.04980	12.5
95.08618	17.9
97.02915	11.0
97.06534	13.4
98.97569	3.8
104.10754	3.3
105.07037	17.5
106.07401	1.8
107.04958	3.8
107.08604	8.9
109.02873	5.9
109.06513	2.6
109.10188	3.7
114.05525	2.5
115.03905	2.9
117.06994	2.4
117.22929	1.7
119.08549	11.4
120.08114	2.4
121.10114	2.2
127.03910	9.0
128.06197	2.4
129.06975	6.1
131.08592	3.1
133.10126	4.7
143.08560	4.5
145.04895	1.9
145.10144	5.4
147.08047	3.8
147.11653	13.4
159.02864	2.1
161.02299	2.4
161.09631	3.0
161.13243	6.7
163.03894	6.8
168.06355	2.0
171.11684	12.3
172.22467	2.0
174.07649	21.8
184.07367	2.3
186.72473	2.1
189.12773	4.8
191.03519	2.6
207.13811	7.6
215.07082	4.1
231.13629	2.2
250.17961	2.5
259.09662	13.7
260.09946	3.6
281.17487	100.0
325.60544	2.9
326.10864	2.9
326.60986	2.0
332.11368	2.3
338.95810	1.8
386.17435	2.2
395.82574	2.1
404.18359	12.1
422.13202	6.9
422.25757	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	422.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49332	1.0
53.03945	4.2
55.01872	2.5
56.05034	2.6
56.96557	2.4
57.00798	1.5
57.03436	5.5
60.04520	9.4
61.02923	4.2
67.05497	3.2
68.05025	1.7
69.03088	1.8
69.03434	22.4
69.07069	2.2
69.26388	4.7
69.26810	7.4
70.06595	2.6
71.05002	2.3
73.02922	4.7
76.54160	1.3
79.05486	3.0
81.03428	18.1
81.07060	1.3
81.70360	1.1
82.98822	1.3
83.05032	1.5
84.04509	72.7
84.08112	1.5
85.02906	28.6
85.03384	2.4
86.09707	3.6
87.00823	11.4
87.04467	1.8
91.05479	5.5
93.07092	2.0
94.07388	1.4
95.08617	3.5
96.04471	3.3
97.02901	28.9
97.06548	2.0
99.04465	6.2
102.05549	3.0
105.01875	9.1
105.07040	4.3
107.08591	5.6
108.08936	2.2
109.02898	17.4
109.10155	2.5
111.04459	1.4
114.05527	9.9
115.03941	3.1
117.01846	1.8
119.08574	4.0
120.08142	3.3
121.06528	1.9
121.10164	4.8
122.10464	1.4
126.95297	1.4
127.03920	30.4
128.98637	1.4
129.01808	2.2
133.10143	16.9
134.10486	13.4
135.11748	1.7
137.09637	11.6
138.05501	5.7
138.09962	5.1
143.40149	1.2
145.04947	13.5
145.10088	2.3
146.82806	1.3
149.13284	1.6
156.06546	3.6
159.02872	7.4
174.07631	100.0
175.14812	2.0
184.07556	1.4
187.06010	2.6
191.14304	6.1
192.14606	9.3
213.03883	2.0
224.72639	1.4
231.05052	7.4
249.06094	2.0
325.60693	1.3
370.89160	1.3
422.12946	25.6
422.18451	2.0
422.25125	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	422.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01873	3.6
56.05038	2.0
56.96562	1.5
57.03442	5.5
57.78498	0.9
60.04532	10.4
61.02920	3.3
67.05511	1.3
68.05043	1.6
68.05830	0.9
68.99797	1.2
69.03439	29.8
69.07063	1.8
70.06580	1.7
70.13854	3.9
71.01376	1.3
71.04993	3.3
73.02930	6.1
79.05493	2.4
79.33929	0.9
81.03426	18.9
81.07044	2.4
81.65145	1.0
83.04973	1.4
84.04512	78.8
85.02914	36.0
86.06069	1.5
86.09712	5.5
87.00836	10.2
87.04488	1.4
91.05502	1.2
91.36202	1.3
93.07042	1.6
96.04481	4.4
97.02901	37.5
97.06513	1.9
98.06045	1.3
98.97557	1.3
99.04468	7.1
101.02393	1.3
102.05540	3.4
105.01868	10.8
105.07026	1.2
107.08588	1.5
109.02893	18.8
109.06562	1.0
114.05539	11.5
115.03931	2.8
117.01873	1.8
120.08121	7.8
121.06520	0.9
126.05518	1.1
127.03931	34.7
129.01877	2.7
132.06572	2.2
133.10133	2.8
134.10484	1.8
137.05974	1.2
137.09625	1.0
138.05502	5.3
138.10011	1.3
139.11189	1.2
145.04967	14.6
145.10153	1.2
146.11809	3.6
147.02893	2.1
156.06604	4.5
159.02924	9.4
163.03905	1.1
174.07640	100.0
180.10239	1.5
184.07457	1.3
186.08998	1.0
187.06032	3.3
213.03987	1.0
219.01854	0.9
226.07349	1.4
227.11847	1.4
231.05057	7.7
231.11386	1.2
240.09099	1.1
249.05971	2.8
255.11328	5.2
259.09686	1.4
273.12476	1.0
283.10733	2.4
301.11850	6.8
336.13077	1.1
378.13898	1.3
422.12949	27.5
422.18442	1.9
422.24435	1.3
422.29428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
56.96563	1.4
57.03445	0.8
57.06803	0.9
57.07080	14.3
67.05513	2.4
69.03426	0.7
69.07068	1.1
69.71689	1.4
69.72105	1.3
69.79028	0.4
70.06557	0.7
71.04993	0.5
79.05511	2.1
81.03427	0.9
81.07045	1.8
83.08608	1.0
85.02885	0.7
85.06558	0.6
91.05475	2.1
93.07036	1.4
95.04969	2.0
95.08617	1.2
97.02891	0.5
97.06528	0.6
104.99301	0.5
105.07010	1.3
107.04937	0.7
107.08588	1.2
109.02888	0.5
109.10141	1.5
110.72257	0.5
117.07018	0.9
119.08581	1.2
121.06494	0.5
121.10120	0.6
125.07108	1.4
125.09594	0.6
126.05523	1.9
131.08572	0.8
133.10114	0.6
135.08136	0.7
147.11668	0.6
149.02362	1.4
156.60361	0.4
157.10153	0.6
159.11688	0.5
162.85973	0.4
184.18326	0.4
193.04974	1.7
193.12276	0.9
208.14502	1.3
209.12880	5.4
218.12860	2.7
219.11310	1.5
234.59302	0.5
256.26376	1.5
267.09039	0.8
275.17606	4.3
283.08401	0.5
285.10077	0.6
292.20184	4.2
293.18521	4.5
302.18619	8.4
329.21112	1.6
338.96689	0.6
347.25830	1.3
358.24738	1.4
376.25955	100.0
377.26172	1.5
394.26886	2.6
403.24716	1.5
421.26468	1.8
421.31628	5.5
422.28992	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83593	0.8
55.01858	4.1
55.05508	7.0
57.03439	6.7
57.07080	32.9
67.05510	14.1
69.03417	1.1
69.07076	11.2
69.65366	1.4
69.65774	4.4
71.04991	2.1
79.05496	9.6
81.03445	1.4
81.07059	22.6
83.04988	3.3
83.08636	5.3
85.06549	14.8
91.05491	6.1
93.07052	15.1
95.04974	3.2
95.08614	15.4
95.09181	1.4
97.02908	0.8
97.06544	4.1
97.10188	1.9
99.08077	1.1
105.07063	7.0
107.08597	13.8
109.06529	12.6
109.10178	8.0
111.04440	3.0
111.08110	3.1
116.65876	0.8
117.07021	1.1
119.08585	7.7
121.10136	6.3
123.08059	10.9
123.11696	2.1
125.06020	2.6
125.09679	1.0
129.07010	1.2
131.08595	3.3
133.10141	6.0
135.08052	15.1
135.11674	4.4
137.05978	20.3
137.09682	2.1
137.13287	1.9
139.07558	2.2
143.08543	1.3
145.10167	3.2
147.08075	1.7
147.11702	4.1
149.09665	3.7
149.13281	2.2
151.07559	6.3
151.11215	3.9
153.12715	1.9
157.10173	1.4
159.07999	1.0
159.11716	2.3
161.09676	3.1
161.13281	2.3
163.11180	2.4
163.14824	1.1
165.09209	1.2
165.12764	9.1
167.10820	1.0
167.14384	1.3
171.11761	1.6
173.13309	1.2
175.11177	1.8
175.14893	1.4
177.12761	6.1
179.10789	1.2
179.14363	4.4
181.12321	1.5
183.21243	1.0
184.04553	1.1
189.12865	1.1
191.14381	2.0
193.12297	3.1
193.16010	1.1
195.13713	1.2
207.13802	8.4
215.14255	0.9
233.19112	2.9
245.24089	1.0
263.20206	3.6
277.18109	1.3
291.19608	1.7
301.25150	0.9
305.24884	1.3
319.22852	1.8
319.26318	11.3
329.21353	1.3
329.24896	3.7
337.27341	6.2
347.25827	100.0
348.26157	1.2
365.26892	21.9
393.30048	14.7
403.28391	2.8
421.29572	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.12171	0.2
55.01883	0.4
55.05515	1.8
57.03437	0.6
57.07081	0.7
57.62617	0.2
65.03947	0.6
67.05508	2.9
68.99796	0.7
69.03432	6.1
69.07072	2.2
70.06592	0.3
70.86194	0.4
70.86514	0.4
71.04990	0.5
73.02936	0.3
73.62467	0.3
79.05501	5.5
81.03423	3.1
81.07061	5.9
83.04977	2.5
83.08630	0.5
84.04537	0.2
85.02917	1.0
85.06561	0.6
87.00838	2.5
88.19785	0.2
91.05488	5.9
91.06027	0.4
93.07054	3.3
95.04987	1.2
95.08603	2.1
97.02898	3.2
97.03454	0.4
97.06560	0.8
99.04464	0.9
99.81808	0.2
103.05495	0.5
104.78403	0.3
105.01857	0.4
105.07038	8.2
107.04964	4.1
107.08604	20.3
109.02884	4.5
109.06525	2.1
109.10164	6.6
111.08107	0.4
115.05450	1.8
117.07022	2.2
118.07813	0.4
119.06111	0.4
119.08594	3.9
120.08076	0.3
121.06495	2.1
121.10151	10.5
122.07295	6.3
123.08092	1.4
127.03929	11.3
129.07063	0.5
131.08583	2.5
133.10139	100.0
134.10442	1.4
135.08066	7.2
135.11676	1.3
136.75041	0.2
137.09627	54.9
138.09976	0.4
143.08592	1.0
144.09390	0.5
145.04974	0.9
145.10156	1.5
147.07983	0.4
147.11697	2.6
149.09641	2.1
149.13275	8.8
157.10104	0.3
158.10922	1.7
163.14815	1.8
173.09532	0.3
173.13261	5.9
175.11168	0.4
179.07118	0.3
191.14319	49.5
192.14714	0.4
195.02864	0.4
201.12749	0.4
203.04050	0.4
213.03960	3.9
231.04994	2.0
259.09644	0.3
281.15390	0.2
287.05692	0.3
289.06046	0.4
299.16342	0.8
317.17441	0.7
325.23544	0.3
335.18347	0.6
403.17432	1.0
421.18445	0.9
435.81107	0.3
439.41931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59997	0.5
53.03947	1.4
55.01871	0.6
55.05503	1.8
57.07083	2.3
61.02934	0.8
61.47181	0.4
64.10622	0.3
67.05509	3.9
69.03433	4.3
69.07076	4.7
71.04994	0.7
71.53713	0.7
73.02942	0.8
79.05495	7.4
81.03439	2.3
81.07060	100.0
82.07384	0.7
83.04970	2.0
83.08610	0.5
85.02907	9.7
87.00836	3.7
93.07053	0.8
95.08613	19.3
97.02894	6.3
98.97605	1.7
99.04469	1.4
103.31446	0.4
105.01871	7.3
105.08238	0.4
107.08585	0.4
108.04498	0.5
109.02841	2.2
109.10167	1.5
111.04433	0.5
127.03931	9.6
127.04837	0.8
129.05489	0.5
134.00523	0.4
137.13263	23.3
145.04967	7.0
145.06052	0.7
154.15892	0.4
158.99692	1.2
159.02939	1.8
177.00650	0.5
193.04959	0.5
212.45677	0.5
219.01865	1.2
231.05058	3.0
237.02838	0.6
249.06091	2.1
279.04050	0.5
284.09775	0.6
285.07315	3.6
285.57770	0.5
286.52075	0.5
294.07843	0.5
389.18423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01854	0.5
55.05513	0.9
57.07077	1.5
67.05489	2.7
67.40567	0.5
69.03432	3.0
69.07089	3.4
70.49736	1.6
73.30882	0.6
79.05499	7.2
81.03426	1.6
81.07062	100.0
85.02914	6.7
87.00835	3.0
93.07060	1.0
95.08610	16.3
97.02891	5.5
99.04468	1.6
105.01865	6.6
107.08585	0.5
109.02915	1.8
109.10173	1.2
127.03925	7.8
137.12184	1.1
137.13260	22.4
145.04944	4.7
146.10672	0.6
154.15909	0.7
159.02844	0.8
199.89316	0.6
231.04893	2.7
241.37332	0.7
243.68723	0.6
249.06128	1.5
295.47498	0.5
295.60995	0.5
315.39752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	5.9
57.03439	15.4
61.02926	12.9
63.34394	1.8
67.05493	1.9
68.05003	3.8
69.03426	28.1
69.68722	11.5
70.06567	4.1
70.91068	2.1
71.01342	3.3
73.02922	73.1
81.03413	4.3
81.07050	2.2
84.08167	2.3
85.02911	66.7
86.09715	3.4
87.04478	2.7
87.43457	2.2
91.03950	2.4
91.05486	100.0
91.26680	1.8
93.07043	3.5
97.02300	3.8
97.02898	59.1
97.03521	3.1
99.04428	3.4
104.07089	25.1
105.07021	4.6
109.02837	5.3
115.03939	26.2
117.07042	3.4
127.03922	20.6
129.06984	4.6
131.09865	1.8
133.04979	28.8
133.06500	5.3
140.55713	2.1
145.03911	2.9
145.04936	33.7
145.06487	4.8
150.07581	3.4
157.06548	3.9
159.07993	2.3
161.04436	2.2
163.06024	15.3
187.07607	4.2
205.08623	5.9
223.06012	7.6
235.09697	4.3
241.07104	7.7
253.10577	2.9
259.08115	12.4
273.96436	1.8
295.10263	3.2
316.14178	1.9
334.15524	8.5
366.22449	3.7
375.81418	2.2
376.16669	18.0
384.23740	8.7
420.15530	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	419.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.07061	0.8
69.07047	0.5
69.51303	0.8
69.51731	2.4
86.36853	0.4
99.04460	3.4
105.55392	0.4
111.04443	2.7
125.05999	9.8
125.81877	0.4
141.05470	4.1
153.05472	100.0
167.07079	0.5
215.55611	0.4
246.93726	0.5
419.35211	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.8
55.01873	7.9
55.05267	4.5
55.05511	40.8
56.27139	3.3
56.96557	5.0
57.03437	3.7
65.03954	4.4
67.05508	77.7
69.03415	4.8
69.07076	41.6
69.41244	18.4
69.41655	7.2
70.64259	3.8
71.05006	5.7
79.05497	76.3
81.03421	4.7
81.07060	93.3
83.04974	11.3
83.08616	35.1
85.02880	4.0
85.06530	10.5
91.05485	100.0
93.07050	77.1
95.04945	8.6
95.08611	57.7
97.06519	10.3
97.10165	12.9
98.21303	11.0
105.07038	75.2
107.04953	12.1
107.08594	35.1
109.06508	7.5
109.10162	20.9
111.08089	6.1
115.05433	13.3
117.06236	6.2
117.07012	55.2
119.08575	39.7
121.06517	13.9
121.10155	29.2
123.08074	10.7
125.09612	6.2
127.07522	4.7
128.06223	11.0
129.07001	67.4
130.07791	5.9
131.08574	99.0
133.06487	12.2
133.10138	28.2
135.08044	11.3
135.11693	17.2
137.09622	4.6
139.11177	7.2
141.07013	21.5
142.07793	8.0
143.08574	51.9
145.06485	15.1
145.10124	34.8
147.04384	3.9
147.08058	12.7
147.11691	12.3
149.09596	11.8
151.11165	6.9
153.07001	4.9
154.94244	5.1
155.08572	38.0
157.06445	4.9
157.08992	4.6
157.10129	28.4
159.08061	6.1
159.11716	24.3
161.09644	8.0
161.13342	3.6
163.11191	11.1
164.28642	4.1
167.08560	15.5
169.10130	24.4
171.08078	6.7
171.11716	20.0
172.95244	6.9
173.13272	7.6
175.11154	6.4
177.12825	6.9
178.07928	3.7
179.08647	5.9
181.10112	16.2
183.11702	12.5
185.09637	6.4
185.13283	11.6
187.11201	3.7
189.11194	6.1
189.12738	4.2
193.10107	5.5
195.11691	20.1
197.13297	13.3
201.12823	5.2
207.11667	8.3
209.13278	11.7
211.14836	7.4
213.12674	5.2
213.16277	5.6
215.14291	7.6
217.12257	4.6
219.11716	5.0
219.13748	6.5
221.13286	15.1
223.14891	18.8
225.16344	6.1
231.17287	3.9
233.13255	3.9
235.14888	9.4
239.14247	10.1
241.15955	6.7
243.13760	6.2
245.15479	4.4
247.16948	14.7
251.53069	3.8
253.13121	4.6
253.15898	11.4
255.17397	4.1
257.15384	4.6
261.14569	4.5
262.63956	4.2
271.16870	10.3
285.18497	6.7
287.05725	5.6
315.21228	7.0
323.23547	6.9
333.22208	25.6
341.24744	10.8
351.23184	54.0
369.24292	56.1
374.59274	4.3
383.25900	10.3
387.25250	20.1
401.26825	70.5
419.27997	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01861	1.3
55.05511	3.0
57.03422	1.6
59.04993	2.1
61.02921	1.0
61.77887	0.5
67.05510	2.9
69.03436	3.4
69.07076	2.8
69.96741	1.2
69.97153	1.9
70.06622	0.6
71.04999	13.6
73.02920	3.7
73.06569	3.5
79.05495	6.4
81.03414	1.9
81.07058	23.0
83.04971	2.3
83.08624	0.7
85.02909	7.5
85.06525	1.0
87.00832	3.6
91.05499	2.8
93.07050	14.6
95.04971	1.1
95.08603	4.2
97.02892	1.9
97.06532	3.3
98.97603	0.9
105.01847	3.8
105.07013	2.5
107.08587	10.1
109.02873	1.7
109.06503	0.9
109.10129	2.6
111.08085	0.8
117.07050	0.8
119.08566	1.9
121.06526	0.6
121.10128	0.7
127.03934	4.3
133.10150	1.0
135.11694	23.0
137.02347	1.5
145.04918	1.2
145.10075	0.6
146.10461	0.6
147.04366	0.6
147.11708	0.6
149.02316	0.6
151.22911	0.6
153.01862	0.7
153.12749	100.0
154.13065	1.3
163.11201	0.9
164.11491	0.7
164.58011	0.6
165.01895	0.7
167.07060	2.5
168.07333	0.8
169.07639	0.9
173.02264	0.7
177.05467	1.2
181.04938	1.3
191.07176	0.6
191.10640	0.7
193.10732	0.7
209.07901	0.9
213.05504	0.7
239.16373	1.1
249.05882	0.9
249.11273	0.6
287.05508	30.6
315.05246	0.6
315.08646	1.8
322.54120	0.6
330.10892	1.8
375.08334	0.8
376.27588	0.7
384.22778	0.5
385.10767	0.6
401.11105	0.7
419.11691	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77242	4.0
53.03944	8.5
55.01875	7.7
55.05516	48.7
57.07059	5.1
67.05508	83.6
69.03412	4.5
69.07067	38.7
69.39759	30.5
71.05005	9.8
79.03201	4.3
79.05496	62.3
81.03440	5.4
81.07059	96.8
82.52566	4.4
83.04984	13.6
83.08625	39.6
85.06528	7.5
85.28797	5.0
91.05489	93.3
93.07047	72.9
95.04965	12.1
95.08606	64.2
97.06531	13.5
97.10182	10.2
103.05463	5.8
104.49928	4.0
105.04478	3.9
105.07041	86.2
107.04974	8.6
107.08584	30.0
109.06506	11.8
109.10158	18.5
111.08079	13.3
111.69456	4.3
115.05427	12.1
116.06247	5.5
117.07027	64.4
119.08594	42.0
121.06506	9.7
121.10155	24.2
123.08101	14.5
125.09624	6.5
128.06235	13.7
129.07010	69.8
131.04990	5.2
131.08574	100.0
133.06523	10.5
133.10147	29.2
135.08043	9.0
137.09627	7.6
139.11192	13.9
141.06981	19.5
142.07800	6.6
143.08566	57.1
145.06493	10.7
145.10153	45.4
147.08037	13.0
147.11710	14.7
149.09613	12.8
149.13208	5.4
155.08586	39.7
157.10104	43.3
159.08034	9.2
159.11664	22.7
161.09583	7.0
163.11241	6.5
167.08601	12.4
169.10130	24.7
171.11707	18.5
173.13373	6.2
175.09727	7.7
175.11159	11.1
177.12762	10.0
179.08585	8.6
181.10136	15.8
183.11702	16.9
185.13284	18.0
187.11093	6.2
187.14790	8.5
195.11725	18.1
197.13292	12.2
199.14938	8.2
201.12790	6.1
207.11688	11.7
207.13683	7.2
209.13258	16.6
211.11288	4.2
211.14894	8.9
213.12886	5.3
217.14453	5.3
221.13281	18.4
223.14809	22.7
225.12877	5.0
227.14455	7.7
233.15384	20.6
235.14925	10.2
239.14339	16.3
241.15785	7.3
247.16942	6.0
253.16026	6.6
257.15253	6.8
271.16907	11.3
279.11548	4.3
285.18808	7.9
287.05301	4.9
323.23740	7.0
327.22980	7.4
333.22046	25.7
341.24817	16.1
345.24081	8.4
345.91089	4.1
351.23135	64.6
355.26666	6.0
369.24387	38.2
383.25806	8.8
387.25290	20.9
401.26959	42.6
419.27893	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.1
55.01863	23.5
55.05499	8.8
56.96554	7.8
57.03428	8.5
67.05493	19.1
69.03429	24.1
69.07058	13.2
69.42244	9.0
69.42648	27.9
70.06589	11.5
71.01929	4.3
71.04985	16.2
72.08141	13.9
73.02899	7.9
79.05485	19.2
81.03438	23.7
81.07057	28.1
83.04964	8.1
84.08149	6.0
85.02903	39.8
85.06522	12.7
86.09698	11.8
87.00822	15.1
91.05480	18.8
93.07043	41.6
94.22837	4.3
95.04964	17.3
95.08607	31.0
96.04422	4.3
96.07639	4.5
97.02931	29.3
97.06506	20.9
98.21487	10.4
98.97588	6.8
99.04446	10.7
99.08050	5.1
103.05408	4.6
105.01834	5.8
105.07014	24.6
107.04943	5.1
107.08607	62.4
109.02881	9.7
109.06490	10.8
109.10134	11.0
111.08073	8.2
117.07077	7.5
119.08591	14.7
120.08111	7.8
121.06518	9.0
121.10145	19.5
123.08044	15.7
127.03943	24.4
131.08609	6.1
135.08093	7.9
135.11678	21.6
145.04944	11.7
145.10107	22.4
147.11676	6.8
149.09605	10.2
150.09113	10.9
151.07484	5.9
153.12717	11.7
163.11215	41.1
167.07057	12.3
167.10698	14.6
169.07326	6.6
169.08615	100.0
171.06700	13.0
173.09639	5.4
181.04951	7.4
181.12247	17.1
185.11743	10.5
188.07091	5.7
191.10629	20.3
202.01350	6.5
209.11717	14.8
210.03889	9.7
215.14066	5.3
220.02419	20.3
227.12794	86.1
252.09372	47.6
252.59586	18.7
255.07460	4.9
281.08990	5.2
285.08636	8.2
287.05582	12.4
289.89508	5.4
291.06104	15.4
310.08429	4.5
315.08594	8.2
316.76572	4.6
345.10727	7.4
369.10736	5.9
383.17078	7.5
387.11853	19.4
401.17233	6.2
419.07562	14.0
419.14175	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99963	3.4
55.01870	15.1
55.05497	8.0
57.03426	3.8
64.86147	3.5
67.05502	9.5
69.03423	12.2
69.07064	16.0
70.06599	4.1
70.36003	12.1
71.04988	8.2
79.05502	20.2
81.03423	5.8
81.07049	20.7
83.04977	3.4
85.02908	7.6
85.06524	9.0
86.09719	6.9
91.05485	13.7
93.07064	29.6
95.01298	3.8
95.04955	8.0
95.08617	21.5
97.02891	11.0
97.06521	13.6
98.97571	4.8
99.04469	7.2
105.01842	6.2
105.07045	22.4
107.05006	4.9
107.08611	50.3
109.06548	11.4
109.10175	4.7
111.04468	3.6
111.08070	7.9
113.05992	5.2
117.45960	3.7
119.08605	5.5
121.06510	8.4
121.10156	15.8
123.08067	6.4
124.26113	3.5
127.03901	6.0
131.08531	5.3
133.10130	5.3
135.11693	16.4
145.10136	13.8
147.03082	3.8
147.11745	5.5
149.09570	8.7
151.07552	10.1
153.12801	5.7
163.07697	3.4
163.11191	35.9
167.07056	7.0
167.10645	18.1
168.19672	3.5
169.08618	100.0
171.06825	3.8
181.12209	24.5
185.11859	5.1
191.10699	17.6
209.11749	15.9
210.04060	4.0
213.12492	3.7
219.48132	3.6
220.02467	4.5
224.07816	3.6
227.12790	76.6
252.09526	8.8
285.08560	5.1
291.06119	6.4
344.13486	3.8
383.16940	7.2
387.11746	7.6
395.90479	4.2
401.17517	4.2
419.14523	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01879	22.3
55.05504	7.9
56.02958	1.5
57.03430	4.4
57.07078	15.4
62.36015	2.0
65.03957	1.8
67.05520	13.3
69.03426	16.4
69.07066	14.3
70.06584	4.9
70.07092	4.8
70.07484	4.2
71.04983	7.5
79.05493	13.3
81.03423	10.8
81.07063	33.0
83.04987	10.7
85.02913	21.4
85.06532	13.0
86.09690	4.8
87.00821	9.7
91.05463	6.6
93.07040	27.3
95.04998	9.2
95.08617	26.3
97.02907	8.9
97.06550	12.9
99.04452	9.3
99.08099	16.9
105.01877	10.1
105.07035	19.8
107.04964	3.6
107.08606	43.6
109.02885	7.5
109.06538	13.7
109.10149	4.9
111.08083	4.6
113.06012	3.9
113.09571	2.1
117.07011	2.1
119.08566	4.8
121.06506	7.1
121.10157	18.2
123.08118	9.2
125.05942	2.4
127.03925	14.1
127.11189	3.1
133.06483	2.4
135.08090	2.5
135.11670	9.3
137.09592	2.1
137.13200	2.2
139.11194	3.4
145.04990	10.4
145.10138	14.6
147.08170	2.1
147.11697	4.3
149.09608	8.3
151.07559	10.6
151.11191	3.0
153.12750	26.0
155.14294	17.1
157.62469	1.8
159.02876	6.0
160.07602	2.1
163.11188	33.6
167.10716	18.8
169.08611	100.0
171.13824	5.8
181.12218	16.1
185.11766	5.4
191.10667	20.4
195.13893	2.8
209.11742	16.5
227.12799	74.9
231.04898	5.3
274.11978	3.4
287.05481	5.3
298.88272	1.9
341.15997	2.3
365.15671	3.3
383.17035	8.0
389.14978	2.5
401.17996	7.0
419.14407	2.1
419.26486	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	419.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01876	0.7
55.05504	1.2
56.96544	0.7
57.03428	1.0
60.04513	1.0
61.02925	0.7
65.03943	2.2
67.05515	0.8
69.03431	3.4
69.07070	0.9
69.67052	1.2
69.67472	2.7
70.06596	6.5
70.60491	0.6
70.97037	0.6
71.04979	0.7
72.08163	10.2
73.02914	0.6
73.08504	0.9
79.05521	0.9
81.03416	4.7
83.04979	1.3
84.04504	0.9
84.08143	2.3
85.02916	7.9
86.09712	10.0
93.07067	0.8
94.83910	0.6
95.04978	6.1
96.75217	0.6
97.02892	4.5
98.21602	0.7
98.97595	2.1
101.06000	1.6
101.07121	0.7
105.49988	0.6
107.05012	0.7
109.02894	2.4
110.07178	0.9
111.04456	1.2
111.79614	0.6
112.99112	0.7
113.07172	0.6
116.07093	0.7
120.08105	1.2
121.02872	100.0
127.03925	1.9
129.10222	0.9
139.03905	17.4
139.04922	1.3
147.04454	1.5
147.55905	0.6
155.79411	0.6
158.99535	1.0
159.11395	0.7
163.03975	0.7
165.05402	0.6
167.45554	0.7
173.12880	1.2
178.98093	0.6
183.11235	0.7
186.55247	0.6
187.10719	0.6
201.12312	1.1
203.05898	0.6
215.13814	0.8
219.13470	1.2
233.14857	0.8
256.64175	0.6
261.14474	0.7
265.07047	4.5
282.18295	1.2
283.08148	16.9
375.16498	0.9
382.21436	0.6
401.17950	0.8
419.13821	4.1
419.18930	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	419.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06709	0.5
51.15898	0.5
52.13374	0.6
52.50563	0.6
54.36398	0.6
55.01889	0.7
56.96542	0.6
60.04515	0.7
69.03423	1.1
69.07043	0.6
69.30117	5.6
70.06577	1.8
71.04995	1.2
72.08148	2.1
73.02917	2.0
77.16581	0.7
79.05498	1.0
81.03389	0.6
81.07033	1.4
84.04490	0.7
84.08118	1.1
85.02920	3.3
86.09713	7.9
91.05462	2.2
93.07027	1.1
97.02892	2.4
97.44533	0.8
99.06348	0.6
107.08565	0.7
115.03950	0.9
115.92613	0.6
117.00815	0.5
127.03900	1.0
133.05002	0.7
135.11693	1.2
147.08081	0.6
151.60440	0.6
153.12822	3.5
171.09950	9.2
173.09286	0.7
173.12856	1.5
199.09404	5.6
201.12354	0.8
213.10823	0.6
214.16876	0.7
219.13475	1.0
237.02881	0.8
315.14093	2.6
333.15231	22.0
375.16263	45.5
419.15213	100.0
420.15790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18486	0.6
55.05500	1.4
56.05030	1.1
56.96559	1.9
57.03436	1.8
60.80122	0.6
65.03941	0.6
67.05516	1.0
67.91419	0.6
69.03426	2.2
69.07062	1.7
70.06589	2.7
71.04987	5.6
71.54040	0.7
72.08159	3.7
73.02914	2.0
74.06086	1.0
74.88350	0.6
79.05492	0.8
81.07054	1.1
83.04985	1.5
83.45587	0.6
84.04493	1.5
84.08149	2.1
84.17409	0.6
84.96016	0.6
85.02911	6.6
86.09709	17.0
93.07030	0.8
95.04946	0.9
97.02873	2.9
98.97581	4.2
105.07043	1.0
107.55000	0.6
109.02859	0.8
109.10193	0.6
110.07140	1.1
110.97549	1.5
111.04462	0.9
116.98639	1.5
119.60923	0.6
120.08146	0.7
121.02872	9.9
127.03932	1.5
128.98598	0.7
137.05933	0.8
139.03885	1.7
143.00136	1.0
149.02298	0.7
151.03903	0.9
158.99673	1.2
161.01202	1.3
171.09978	0.7
173.12950	1.2
185.04370	0.7
189.00641	0.9
191.14359	0.8
201.00697	0.7
201.12248	1.0
207.08049	0.9
219.01711	1.5
219.13373	1.3
227.08458	0.8
229.06972	3.1
237.02943	0.7
244.03055	1.1
253.03551	2.4
287.05496	9.2
288.05878	1.0
308.05722	0.7
317.08694	30.5
317.56180	3.7
326.06573	8.8
326.56534	3.2
328.01328	0.8
337.57324	1.8
343.01279	2.3
361.02313	13.1
362.02667	2.1
375.16129	2.1
379.03552	1.5
401.17963	1.4
419.15182	100.0
420.15521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01856	0.2
57.03437	0.7
61.02928	1.7
62.98027	0.1
65.03926	0.1
68.99789	0.5
69.03414	0.5
69.70482	0.3
69.70895	0.4
71.01344	0.3
73.02922	12.7
79.05481	0.2
85.02885	0.6
87.04423	0.2
91.49010	0.1
97.02896	0.1
103.05385	0.1
105.03373	0.3
107.04939	0.4
109.02867	0.2
111.00797	0.8
111.04410	0.1
113.02967	0.1
115.03967	1.0
121.02882	2.4
133.02841	0.5
137.02356	0.7
145.06497	0.2
147.04398	0.6
153.01846	3.6
157.06490	0.4
165.01857	2.0
171.04372	0.2
183.02864	0.9
185.05975	0.5
188.11876	0.1
189.05452	0.2
189.89902	0.1
203.06960	0.2
213.05444	1.3
231.06561	0.6
241.05023	1.0
258.05310	1.1
259.06073	0.4
269.04349	0.2
287.05508	100.0
288.05896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	51.0
67.05481	51.1
69.03410	79.2
69.07061	56.0
70.58566	47.9
70.58913	21.7
71.50775	19.3
79.05473	28.8
81.07047	82.1
83.08633	40.9
85.02895	30.3
93.07040	35.9
95.08607	100.0
97.02879	45.3
97.10159	36.9
99.04449	30.3
107.08594	52.7
109.10201	20.2
118.02824	22.6
121.10136	51.9
123.11735	28.0
125.09683	18.5
127.03886	49.9
133.41385	20.5
135.11674	55.8
137.13210	17.0
145.04907	29.5
184.83031	21.0
215.13924	20.0
219.21165	34.9
237.22206	84.1
345.24323	30.0
399.27649	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	417.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03181	12.1
55.05501	43.5
55.44826	11.8
57.07076	28.0
67.05486	50.0
69.03426	96.3
69.07059	57.0
69.37895	62.5
69.38326	41.2
79.05489	15.9
81.07047	77.1
83.08586	30.6
85.02892	34.8
87.20234	14.3
93.07052	17.5
95.08602	66.6
96.54623	12.0
97.02905	43.7
97.10173	33.2
109.10149	19.3
121.10136	53.3
127.03901	63.8
134.90317	12.9
135.11662	27.1
139.94446	13.6
145.04958	32.0
219.21065	20.5
222.40500	13.2
237.22102	100.0
363.24915	17.9
399.27252	23.1
417.37238	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	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85096	0.4
59.14750	0.4
63.97459	0.5
70.06616	0.5
71.04688	0.8
72.08161	0.6
73.06577	0.9
74.06087	0.4
79.05470	0.4
82.28069	0.4
84.04549	0.5
84.08159	0.6
85.02915	0.5
86.09718	1.4
91.49118	0.4
93.07071	1.2
103.05482	5.1
107.04999	1.0
109.02897	0.5
118.92382	0.4
120.08121	100.0
121.08477	0.5
131.04993	2.1
147.07597	0.7
149.05984	1.7
163.96558	0.4
166.08662	54.9
219.01758	0.7
268.16791	0.4
358.08658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	31.1
63.11078	8.6
63.47427	8.8
67.05492	43.6
69.03417	44.7
69.07053	43.0
69.67107	60.6
71.46209	10.2
79.05487	21.6
81.07039	51.0
83.08623	37.8
85.02914	16.1
85.06529	12.7
93.07029	29.5
95.08591	24.7
97.02883	38.8
97.10184	15.6
98.21483	19.4
107.08553	20.4
109.10164	21.4
111.30930	9.0
121.10131	22.7
123.11692	15.0
127.03919	40.3
135.11703	20.9
137.13220	13.3
149.13304	15.1
151.07532	26.0
162.23083	9.8
219.21068	20.9
229.03394	9.8
237.22050	70.7
345.24094	11.1
381.26154	12.0
399.27078	13.3
417.37256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63845	4.6
55.01869	8.1
55.05502	11.4
59.50919	4.6
67.05496	12.7
69.03436	20.9
69.07055	15.6
70.14811	17.4
79.05469	4.4
81.03380	4.4
81.07055	21.8
83.08617	13.2
83.83437	4.7
85.02933	10.1
91.05484	5.2
93.07047	12.7
93.19688	4.3
95.08592	15.4
97.02892	24.4
97.10182	8.0
99.14796	4.4
107.08569	4.5
109.06494	5.6
109.10170	8.5
121.10117	11.4
123.69065	4.2
127.03877	11.0
135.11722	8.5
145.04918	8.4
149.13219	4.1
151.07559	31.4
151.86349	4.1
163.11209	4.0
165.09126	9.5
166.13216	4.2
166.98122	4.6
169.08612	13.1
169.20386	4.1
237.22043	23.8
320.27585	4.2
399.27383	7.0
417.37289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.4
57.07071	6.2
67.05509	26.4
69.07073	18.3
71.05010	6.4
71.54619	6.1
79.05502	25.0
81.07076	34.5
83.08604	10.1
91.05483	29.2
93.07054	41.1
93.39838	4.4
95.04946	9.0
95.08614	37.0
97.06535	5.4
97.10181	5.0
105.07034	64.1
107.08602	43.5
109.06525	83.4
109.10168	22.4
111.08089	6.3
115.05450	6.7
117.07024	11.6
119.08592	69.3
121.10167	49.6
123.08045	5.7
123.11714	15.8
123.22924	4.2
128.06213	9.7
129.06989	10.6
130.07793	4.8
131.08566	30.7
133.10139	57.3
135.08080	14.0
135.11703	33.0
136.70702	3.5
137.09656	5.0
141.07005	6.7
142.07834	9.2
143.08565	35.4
145.10141	35.8
147.08076	14.5
147.11688	13.7
149.09627	11.3
154.07722	4.2
155.01141	5.2
155.08592	16.8
156.09326	8.8
157.10132	50.6
158.10834	4.4
159.08037	4.5
159.11646	25.6
161.09586	5.9
161.13295	8.1
163.11151	7.7
165.07013	5.5
167.08615	6.7
168.09320	7.7
169.10162	21.1
170.10909	7.3
171.11708	22.7
173.09666	7.3
173.13237	20.5
175.11270	10.4
175.14867	12.4
179.08522	7.1
181.10146	14.2
182.10941	7.4
183.11708	21.4
185.09589	9.9
185.13301	12.6
187.11131	7.5
187.14850	17.7
193.10126	15.8
194.10864	6.7
195.11714	19.1
196.12276	4.7
197.09735	5.2
197.13304	15.3
199.11115	8.9
199.14880	9.0
201.12830	6.3
203.10626	6.1
205.10243	6.2
206.10994	7.9
207.11719	12.6
208.12245	4.3
209.13290	12.1
211.11235	7.5
211.14847	7.7
213.12807	6.0
213.16394	11.8
217.12195	4.5
219.11821	8.7
220.12556	7.6
221.13289	12.0
223.11172	7.8
223.14844	11.5
225.12781	4.7
225.16443	5.0
227.14395	4.4
229.12425	4.3
230.10930	4.7
231.11792	6.6
233.13258	11.9
235.14923	15.0
237.12767	9.8
239.14363	7.0
239.18036	10.6
241.19272	7.1
245.13336	7.5
247.14841	6.3
249.16483	6.6
251.14357	9.6
253.15878	6.0
253.19585	8.4
257.13129	6.5
261.16428	8.2
263.14474	5.5
263.17670	6.2
263.23685	5.0
270.13956	5.3
273.16519	4.7
275.53714	4.0
277.15857	8.5
281.18671	4.5
295.16959	7.9
301.19751	5.9
317.22751	5.0
341.22562	5.3
357.25824	7.4
359.23724	11.5
375.26785	8.6
377.81348	5.7
389.28397	4.4
399.26898	27.8
417.27863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.2
56.05037	1.8
57.05801	1.2
69.03427	1.0
69.07069	5.9
70.06577	0.9
70.47649	1.4
72.08156	100.0
75.04481	0.8
84.04506	25.5
85.02920	1.6
86.09708	61.0
87.10043	0.6
97.02923	0.8
98.97588	0.6
102.05544	15.9
113.07172	0.5
116.07132	0.9
125.78022	0.5
127.03909	0.7
129.05644	0.7
129.06604	13.9
141.06624	1.4
145.05026	0.7
152.10666	1.5
163.03964	1.8
163.11203	2.3
163.26822	0.5
170.11771	8.8
175.10786	42.0
181.08569	0.6
181.12289	0.7
197.12846	13.7
201.77505	0.5
213.16025	0.8
215.13911	53.8
219.01765	0.7
219.13834	0.9
225.12306	6.5
237.14941	1.9
243.13419	28.9
255.15909	0.7
296.19650	3.6
317.08597	0.5
324.19138	6.6
342.20276	3.5
417.13641	1.7
417.23306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.2
69.79595	3.5
81.03403	2.1
98.97591	1.1
100.53191	0.7
101.00864	0.8
101.46733	0.6
109.02890	3.2
113.05318	0.7
119.01925	1.2
120.95410	1.2
133.03400	0.8
136.70222	0.6
138.96410	6.7
156.97479	24.5
157.03447	0.9
164.97932	1.1
174.98537	9.7
176.98112	1.1
178.95981	0.9
180.97479	8.9
182.99054	14.1
194.99057	12.5
196.97005	2.8
198.98537	22.3
199.00372	1.4
201.00113	6.6
204.97533	0.9
210.98494	1.4
213.00093	32.7
216.99615	2.3
218.98892	0.9
219.01897	0.9
222.98509	4.6
223.98987	0.7
225.00143	2.3
231.01210	2.6
240.99632	5.6
246.98470	0.9
254.95534	0.7
264.99637	1.4
283.00644	3.5
301.01703	93.0
302.01746	1.8
319.02878	4.2
319.52545	0.7
332.11877	0.7
342.04745	1.0
357.04324	100.0
358.04486	1.3
375.05841	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	417.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
56.05050	0.6
56.96570	0.6
57.03423	0.5
57.05850	0.5
65.52462	0.4
69.03421	1.2
69.07063	1.6
70.06595	4.0
71.04957	0.5
71.29858	0.5
71.52322	0.6
72.08160	26.0
73.02903	1.0
74.06059	0.6
75.05616	0.7
77.19955	0.5
79.05492	0.5
81.03428	0.8
81.07022	0.7
84.04493	2.0
84.08140	1.5
85.02925	2.8
86.09711	29.9
91.05476	0.6
95.04951	1.1
95.08669	0.4
97.02869	0.8
98.97585	2.0
99.04427	0.6
99.14866	0.4
99.97953	0.4
102.05547	1.6
105.07011	0.7
107.04891	0.5
110.07172	0.7
110.50672	0.6
112.08790	0.6
116.07101	1.2
116.98660	0.5
123.04228	0.5
127.03920	1.0
128.98604	0.6
129.10236	3.7
130.04974	0.8
130.06461	0.8
137.05920	0.4
143.11815	6.1
148.06050	2.4
157.09772	0.6
157.13351	0.6
159.07944	0.4
163.11185	1.7
171.11311	3.4
175.10735	1.5
181.12180	0.7
185.04326	0.8
185.12915	0.6
185.16357	0.5
187.10823	0.6
189.12465	0.9
215.13876	1.4
219.13805	0.7
225.16127	0.5
229.06944	2.7
229.11760	0.7
229.15405	0.6
233.11353	1.0
237.02698	0.6
237.14816	0.9
243.13423	1.8
247.12938	4.8
255.15845	0.6
261.14481	3.1
270.18137	2.4
284.19598	0.6
285.12347	0.7
317.08450	41.9
326.42749	0.5
417.13660	100.0
418.14157	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66571	2.9
55.05507	5.5
57.03431	3.7
67.05491	14.0
68.05843	3.3
69.07063	7.7
71.08627	10.7
72.05659	2.7
79.05492	15.1
80.14436	3.3
81.03414	4.9
81.07047	16.7
82.24775	3.2
83.04986	3.9
83.08624	4.6
91.05485	7.4
93.07038	17.0
95.04943	4.1
95.08616	13.8
97.06509	4.9
99.08112	10.0
105.07032	7.5
107.08583	11.1
109.10150	5.6
115.93513	3.2
119.08607	15.9
121.10159	13.5
123.60452	3.0
131.08525	3.2
133.10162	6.2
135.11693	10.6
151.11198	5.0
159.11652	3.4
161.13235	4.6
163.11230	3.8
179.14308	31.2
215.76376	2.6
248.96028	4.1
267.09109	3.2
277.21692	24.2
277.48544	3.3
296.20871	2.9
351.25293	100.0
397.16782	6.2
414.35248	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	415.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12561	0.4
62.49646	0.4
64.88642	0.4
68.88635	0.4
69.03417	0.8
69.03784	0.4
69.68133	0.9
69.68546	1.7
71.05007	0.6
73.02883	0.5
75.02021	0.4
79.05491	0.5
81.03421	0.7
84.96703	0.4
85.02906	1.4
86.09699	1.5
93.07057	0.9
99.04422	0.5
105.01888	0.4
105.07001	0.5
107.08564	0.6
121.06476	0.6
121.10150	0.6
127.03914	0.8
134.94229	0.5
147.11702	0.5
149.09628	0.7
157.32689	0.4
167.10458	1.9
169.04758	0.4
195.10005	0.6
202.12799	0.5
227.05396	0.8
235.17023	0.6
303.04950	1.1
311.14728	0.5
329.15634	8.5
353.15732	0.8
355.00876	0.5
371.16772	27.0
377.01834	1.1
395.03040	0.6
415.15735	100.0
416.16043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01867	1.7
55.05495	0.9
56.30902	0.6
57.03429	2.3
61.02917	1.8
67.05499	1.6
68.99789	1.0
69.03090	0.9
69.03432	9.9
69.07084	0.6
70.06602	5.0
71.04980	1.7
71.52773	0.8
72.08145	1.3
73.02915	2.5
79.05496	1.1
81.03422	11.1
81.07050	1.7
84.04503	1.5
84.08148	1.7
84.95966	0.6
85.02911	15.0
85.06524	0.9
86.09716	3.1
87.00847	5.8
91.05477	1.1
93.07037	0.8
95.04979	0.9
95.08622	1.0
97.02898	6.2
97.06525	0.7
98.97591	0.9
99.04470	3.4
100.07619	1.2
104.04967	0.9
105.01875	3.5
105.07031	1.4
107.08606	1.0
108.08137	0.7
109.02884	8.7
115.03951	0.6
117.01878	1.0
119.08613	0.6
120.08130	2.9
120.08839	0.7
127.03928	11.1
129.01849	1.2
131.04947	1.4
131.08577	1.2
133.10123	0.9
136.07523	0.9
137.05913	0.6
145.04971	4.3
146.08022	0.6
147.02888	1.3
148.02165	71.3
159.02901	5.1
159.08075	1.6
166.03233	100.0
167.03563	1.0
175.15060	0.6
189.04843	1.1
205.08661	0.8
231.04965	2.0
237.02789	0.7
328.08560	0.7
397.16544	0.9
414.08777	4.7
414.17725	1.8
414.22263	1.3
415.15216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.378
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
55.05499	18.6
57.07066	11.4
63.56599	5.9
67.05516	31.8
68.25842	5.8
69.07076	44.0
71.46248	10.6
75.81627	7.0
79.05476	15.0
80.21969	6.5
81.07062	87.7
83.08632	15.6
83.46475	5.7
91.05446	8.3
93.07027	30.7
95.08611	92.8
97.06525	6.4
97.10191	11.8
105.07033	18.2
107.08604	59.0
109.10166	68.7
111.11701	8.1
119.08606	24.0
121.10126	43.5
123.11684	32.3
125.09634	8.0
127.11194	8.8
133.10107	17.8
135.11685	33.3
137.13257	23.6
145.10106	10.4
147.11716	10.2
149.13245	35.1
161.13242	9.2
163.14828	27.4
175.14915	8.9
177.16350	18.8
187.15054	6.5
189.16396	13.2
191.17982	7.9
203.17955	10.1
205.19504	7.2
217.19553	7.6
323.07214	6.8
395.36707	20.2
412.62860	6.8
413.32681	8.8
413.37808	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	413.3779
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
55.05505	14.9
57.07058	8.2
67.05505	34.0
69.07066	45.7
69.38276	37.1
71.04976	10.8
78.44638	4.1
79.05489	21.5
81.07062	91.3
83.08617	21.5
86.30741	4.5
91.05466	13.8
93.07055	45.9
95.07994	5.6
95.08605	100.0
96.99637	4.0
97.10156	18.7
98.20773	6.5
99.08114	5.0
105.07027	21.4
107.08586	53.4
109.10162	95.5
111.11693	7.9
119.08592	22.8
121.10144	53.6
123.11720	51.3
127.11164	10.6
133.10146	20.5
135.11707	45.5
137.13225	23.0
147.11685	22.6
149.13255	40.4
151.14816	7.7
153.12738	8.4
159.11667	7.9
161.13289	23.6
163.14806	28.9
173.13284	8.0
175.14828	11.6
177.16376	19.2
189.16420	12.6
191.17896	17.5
196.68172	4.3
203.17944	8.7
205.19528	11.0
217.19518	14.4
229.19850	4.7
231.21060	9.0
245.22643	7.8
273.25748	4.9
286.92780	4.4
327.30307	5.9
395.36499	20.1
413.37735	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3781
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
53.03938	2.6
55.05512	20.7
57.07082	8.0
57.29092	1.4
67.05505	32.1
67.73468	1.5
69.03423	2.8
69.07069	41.0
69.42924	12.4
71.05000	13.8
71.08610	2.1
79.05499	17.3
80.34648	1.6
80.97491	1.5
81.07059	84.3
83.08160	2.0
83.08622	23.8
86.59402	1.6
91.05472	11.3
93.07044	49.9
93.07633	2.5
95.08610	100.0
97.10166	10.9
99.08066	3.1
105.07036	19.6
106.20265	1.6
107.07885	2.9
107.08596	57.7
109.10159	88.3
111.11720	6.0
119.07807	2.7
119.08586	27.9
121.10148	47.0
123.11710	42.9
127.11197	18.2
131.08617	2.6
133.10138	23.2
135.10698	3.1
135.11693	41.9
137.13248	18.9
141.12775	2.1
145.10095	6.3
147.11697	20.4
149.13260	46.2
151.14827	5.7
153.12730	8.3
159.11707	7.3
161.13264	17.7
163.14836	27.5
165.16350	3.3
167.14265	3.8
173.13213	4.3
175.14827	15.2
177.16393	22.5
178.54129	1.5
179.17940	1.6
181.15901	1.8
187.14836	2.0
189.16403	15.4
191.17949	18.0
193.15909	2.9
197.18918	2.7
201.16466	2.8
203.18013	15.5
205.19481	6.4
207.17493	1.5
215.17934	2.8
217.19492	11.0
219.21019	2.6
229.19469	2.2
231.21066	5.1
235.20494	2.2
243.21103	2.3
245.22639	14.3
247.24139	5.5
249.22250	2.4
251.23679	2.5
257.22455	1.9
258.90750	1.5
259.24185	4.4
271.24222	3.1
273.22037	2.1
273.25778	5.8
277.25250	2.2
280.61011	1.7
287.27441	1.8
289.25507	2.5
291.13248	1.6
291.26303	1.9
303.26968	2.1
311.27139	1.7
313.28925	2.5
317.28278	3.0
327.30460	7.0
331.30017	7.8
343.29977	2.3
357.31424	1.9
357.74713	1.5
395.36734	10.5
413.32397	6.6
413.37711	74.0
414.38284	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	413.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05462	1.6
51.77820	2.0
53.03939	2.6
55.05513	35.0
56.20568	1.6
57.03441	13.5
57.06798	2.0
57.07080	37.6
58.04950	1.8
67.05505	22.7
69.03442	11.5
69.07071	56.5
70.65983	2.6
70.66318	4.2
71.04981	2.0
71.08636	23.8
75.65494	1.5
77.89236	1.8
78.11205	1.6
79.05491	9.7
81.07056	33.1
83.04994	3.7
83.08626	34.5
85.02886	2.3
85.06490	2.5
85.10177	12.7
91.05489	3.3
92.95074	1.5
93.07047	12.8
95.08606	31.7
97.02878	2.3
97.06535	8.2
97.10172	22.1
99.04474	4.2
102.30589	1.7
105.07037	2.2
107.08607	10.3
109.10159	15.1
111.04433	3.0
111.08106	4.0
111.11731	7.8
115.07605	2.4
119.08513	1.8
119.56111	1.7
121.10148	12.2
123.11716	7.9
125.09632	6.8
127.03937	5.2
133.10143	2.0
135.11691	13.8
137.13290	2.9
139.11203	6.2
147.11646	3.3
149.13239	8.8
153.12779	3.5
163.14839	4.9
167.14346	6.0
177.16425	2.5
231.90799	2.0
233.22710	4.4
245.17560	2.7
251.23712	12.3
303.30463	4.0
321.31488	10.8
395.30524	2.3
395.35138	14.4
413.36319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01865	4.3
55.05523	11.5
56.96565	3.3
57.03436	20.3
61.02904	2.9
67.05515	33.1
69.03436	31.1
69.07063	10.2
69.36263	18.9
71.04980	6.9
73.02914	4.2
77.66534	2.2
79.05486	22.4
81.03423	43.7
81.07062	48.8
83.04991	18.3
83.08617	9.2
84.85113	2.2
85.02903	21.6
87.04449	2.7
91.05486	18.1
93.07046	33.4
95.04982	10.7
95.08616	18.1
97.02901	22.4
97.06529	8.7
99.04450	7.0
99.08080	3.3
100.24008	2.6
103.03926	4.1
105.07036	9.9
107.04967	4.7
107.08586	16.2
109.02896	11.0
109.06525	7.0
109.10182	6.0
111.04449	6.7
111.08080	4.0
117.07019	7.1
119.08558	10.0
121.06542	3.2
121.10157	8.3
123.08110	2.7
123.11698	3.0
126.17295	2.1
127.03941	13.1
129.05498	6.3
131.08553	6.5
133.06445	3.3
133.10168	11.6
135.08073	2.8
135.11703	9.0
143.08524	3.6
145.06502	3.1
145.10182	2.6
147.11710	5.0
149.09593	2.6
149.13293	17.0
155.08615	2.4
159.11676	11.7
173.04558	3.3
177.12794	9.0
183.06538	5.0
184.07431	2.9
191.18146	2.2
195.13809	21.0
200.30098	2.3
213.14850	4.9
219.13759	3.5
269.17432	12.9
275.16385	3.0
321.16702	2.6
339.18063	7.7
374.99670	2.2
377.19574	3.1
395.20581	8.0
413.21741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01879	5.1
55.05515	16.4
56.96572	2.7
57.03440	16.8
61.02933	2.3
65.03938	3.4
67.05508	34.6
69.03434	39.6
69.07084	10.9
69.35095	2.1
71.04985	7.2
71.53708	2.1
71.54079	2.4
73.02921	3.7
75.18073	2.0
79.05499	24.8
81.03423	44.6
81.07056	44.2
83.04972	16.6
83.08617	11.5
85.02915	18.2
86.09717	2.8
87.04466	3.3
91.05484	19.2
93.07050	30.8
95.04980	7.8
95.08617	18.9
97.02891	26.1
97.06537	7.4
98.97595	2.1
99.04460	6.8
99.08101	2.6
103.03942	5.2
105.07045	14.6
107.04965	4.0
107.08604	14.1
109.02880	8.5
109.06556	3.0
109.10181	5.9
111.04462	6.1
111.08113	3.9
117.07025	8.5
119.08585	6.6
121.06507	3.0
121.10178	9.9
123.08083	3.5
127.03932	14.6
129.05504	5.2
129.07030	3.8
131.08595	12.4
133.06555	2.6
133.10127	11.7
135.08060	4.4
135.11717	7.8
137.05917	2.6
143.08569	2.8
145.10176	3.6
147.11713	6.6
149.09668	3.8
149.13263	15.6
149.70683	2.2
155.08543	2.2
157.10066	2.3
159.11690	14.5
165.12750	2.0
177.12714	11.2
183.06587	3.3
184.07402	3.8
195.13821	20.9
201.07634	2.3
213.14941	5.2
268.79736	2.1
269.17471	14.9
275.16623	2.7
297.16968	3.4
339.18109	8.4
395.20712	7.0
413.21741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2152
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.47409	0.3
55.05508	0.7
56.96568	0.5
57.03443	0.4
61.02905	0.5
62.79646	0.3
67.05517	1.4
69.03408	0.8
69.07062	0.6
70.47656	0.6
70.48001	0.6
79.05490	1.0
79.63002	0.3
81.03415	1.0
81.07062	1.7
83.04971	0.6
85.02907	0.8
86.09631	0.4
90.70226	0.3
91.05456	0.7
93.07027	0.7
94.91359	0.3
95.04954	0.5
95.08604	0.7
97.02878	1.0
98.21396	0.4
105.07005	0.5
107.08589	0.6
109.02873	0.4
109.10168	0.4
117.07051	0.3
119.08628	0.6
127.03890	0.3
129.05479	0.3
131.08540	0.4
133.10068	0.5
143.06232	0.3
145.10159	0.6
159.11739	0.5
215.11055	0.4
371.22781	0.8
382.68796	0.3
413.21487	100.0
414.21811	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1811
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
50.67937	2.9
53.03936	13.4
55.01865	11.0
55.05505	9.5
56.96562	5.5
57.03443	5.1
61.02937	4.5
67.05508	34.0
69.03435	38.5
69.07072	23.5
70.06592	5.9
71.04987	14.9
71.54332	3.8
72.08160	3.8
73.02913	8.4
73.06564	3.5
79.05491	33.0
81.03429	35.1
81.07062	60.2
83.04982	51.8
84.08116	3.7
85.02899	26.5
85.06548	6.4
86.09704	5.1
87.04476	4.1
91.05486	35.5
93.07055	48.4
95.04983	45.4
95.08623	18.2
97.02885	17.9
97.06544	55.7
98.97587	3.5
99.04465	20.2
103.05447	3.6
105.07039	92.3
107.04958	16.8
107.08599	33.8
109.02879	15.7
109.06511	41.8
109.10151	7.0
111.04469	9.0
111.08074	7.9
113.06015	8.2
117.07030	23.1
119.04912	17.8
119.08585	31.6
120.08116	7.7
121.06513	52.3
121.10141	11.5
123.04453	8.5
123.08075	4.0
125.06005	57.4
125.09648	4.9
127.03907	17.9
127.07547	7.3
128.06256	5.6
129.06999	11.9
130.07761	7.6
131.08591	27.9
133.06499	14.8
133.10126	12.4
135.04399	7.8
135.08087	11.8
135.11688	11.0
137.05997	31.2
139.07556	7.6
141.06982	6.9
143.07059	30.9
143.08525	16.3
144.09346	4.7
145.06531	21.7
145.07526	4.0
145.10132	100.0
147.07961	8.6
147.11699	10.9
149.06017	6.4
149.09561	4.7
151.07584	16.2
153.01839	8.2
154.07724	5.1
155.08569	7.6
157.08691	3.3
157.10135	8.5
158.07281	13.8
159.08060	14.2
159.11722	43.6
161.06064	3.7
161.09579	7.4
161.13297	4.8
163.07535	6.5
163.11192	63.2
169.10147	18.4
171.08014	7.8
171.11674	4.2
172.08812	5.4
173.09627	70.2
177.05592	3.5
177.12720	11.3
179.08557	5.0
181.12184	9.6
185.09601	4.6
187.07652	5.7
187.11200	80.3
189.09151	5.2
189.12807	7.3
191.10675	43.4
197.09644	10.7
199.11285	6.8
201.09134	6.1
203.10715	3.4
205.12267	55.0
207.13855	5.0
209.11728	22.4
215.10680	79.3
215.14049	5.0
221.11862	4.1
229.12247	4.4
233.11746	77.7
233.15276	6.9
237.02602	4.0
251.12817	50.8
257.11859	4.7
263.12695	3.6
272.15714	7.0
275.12762	3.9
313.03351	7.8
317.13904	4.0
335.14798	4.9
359.15060	4.9
377.15991	9.8
395.16776	16.6
413.08774	13.4
413.17792	44.7
413.21689	33.3
413.27316	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	413.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01867	1.7
55.05513	1.5
56.96562	0.7
57.03430	0.7
65.03921	0.8
67.05510	3.9
69.03434	5.8
69.07076	4.1
70.06596	1.5
71.04993	2.0
71.53009	0.7
72.08164	0.6
79.05500	6.4
81.03429	5.2
81.07060	8.0
81.77517	0.5
83.04988	6.1
83.08647	0.7
84.08126	1.1
85.02905	3.2
85.06554	1.8
86.09726	0.8
87.04468	0.5
91.05481	5.8
93.07050	6.1
95.04977	6.6
95.08064	0.4
95.08598	2.8
97.02911	2.0
97.06526	6.1
98.97611	1.6
99.04464	3.5
103.05444	0.8
105.01909	0.5
105.07039	12.3
107.04963	2.1
107.08598	5.3
109.02891	1.9
109.06517	6.0
111.04465	0.9
111.08089	1.0
114.30700	0.5
115.05524	0.6
117.07018	3.9
119.04981	2.0
119.08582	3.3
121.06503	5.9
121.10170	2.0
123.04437	1.0
123.08106	1.7
125.05997	8.2
127.03932	1.6
127.07598	1.4
128.06256	0.7
129.07004	1.6
130.07793	1.1
131.08545	3.8
133.06525	2.2
133.10167	2.1
135.08076	1.4
135.11726	1.2
137.06012	3.7
137.09558	0.6
139.07547	1.6
143.07050	4.3
143.08586	1.9
144.09355	0.6
145.06511	1.6
145.10132	13.9
147.08072	2.5
147.11676	1.0
149.06029	0.6
149.09586	0.9
151.07600	1.7
153.09174	0.5
155.08504	1.2
157.08714	1.1
157.10074	1.1
158.07382	1.5
159.08090	2.1
159.11690	5.0
161.09621	0.8
161.13306	1.0
163.07495	0.7
163.11195	7.2
169.10173	2.0
171.08173	0.9
171.11801	0.8
172.08876	0.9
173.09624	10.0
175.07591	1.0
175.11182	0.6
177.12785	1.5
179.08626	0.5
187.11197	8.8
189.12833	0.5
191.10703	5.2
197.09694	1.5
197.13300	0.5
203.05313	1.5
203.14342	0.6
205.08658	0.8
205.12257	7.5
209.11711	3.9
215.10693	11.2
215.14270	1.0
221.11565	0.6
221.15309	0.7
227.10738	0.6
227.12683	0.6
233.11737	9.7
233.15402	2.2
239.10596	0.8
251.12857	6.6
251.16301	1.3
255.12283	0.7
263.12811	1.0
293.13641	0.7
299.13058	0.5
331.56647	0.5
349.16730	0.7
359.15076	1.0
377.15958	1.5
395.16742	1.6
395.20636	2.3
413.21564	100.0
414.21869	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1421
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.40068	0.6
56.05011	0.6
56.96540	0.5
57.03428	0.6
69.03432	1.3
69.07062	1.1
70.01102	2.1
70.06578	2.3
71.04993	0.6
72.08157	0.7
73.02927	1.8
73.99586	0.6
74.06076	2.1
74.94455	0.7
81.03365	0.7
83.04996	0.6
83.08620	0.8
85.02909	2.9
86.09705	1.1
97.02891	1.7
98.21558	0.6
98.97601	1.0
101.05995	0.6
102.05572	1.4
107.07304	0.6
115.03941	1.1
119.03595	2.9
120.06596	8.0
121.57706	0.6
122.15264	0.6
127.03927	0.9
128.11568	0.6
133.05023	1.0
136.06200	100.0
137.04597	1.6
145.05014	0.6
146.57677	0.6
148.76152	0.5
162.04131	62.3
163.03990	0.7
237.02870	0.9
242.79890	0.6
244.91318	0.6
251.84584	0.6
263.09000	0.8
268.10330	0.7
281.09955	60.8
413.13992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92964	0.6
55.35532	0.5
66.99450	0.5
69.03478	1.2
71.53300	0.8
82.99929	0.8
85.01479	0.6
85.02972	2.1
91.02570	0.5
97.01455	0.9
97.02928	1.1
101.00887	4.9
103.02477	0.6
112.99131	2.8
113.00917	0.7
115.01221	0.7
115.02439	19.5
118.08733	1.9
119.01920	4.6
121.06675	0.5
127.03996	1.1
128.33429	0.5
129.03979	3.9
131.00264	2.3
131.01968	1.2
133.03479	34.7
136.06248	2.0
137.03027	0.5
137.69525	0.6
141.03979	5.9
143.01888	3.2
145.03546	1.0
147.05032	3.6
151.04562	2.8
155.01917	2.4
156.05148	0.7
157.03484	3.7
159.05032	21.7
161.03015	1.9
162.04268	1.2
167.05672	0.6
169.03552	0.7
171.04991	4.4
173.02977	3.2
175.04539	9.4
175.05919	0.7
176.09323	0.6
177.02612	1.7
177.06091	17.1
177.07510	1.0
182.06761	0.8
183.05043	3.7
185.03041	1.2
185.06631	3.0
187.04570	1.3
189.06084	4.6
191.07674	3.5
195.07156	8.5
197.03001	0.9
201.02441	8.9
201.06154	2.0
203.07733	1.4
209.08720	4.5
211.04570	2.9
215.03926	2.4
215.07619	0.6
217.05623	0.8
219.03574	7.6
219.07104	9.3
219.65764	0.6
220.07399	0.5
229.05585	7.6
229.09276	0.7
231.07185	1.9
233.05042	1.0
233.06863	0.4
233.08731	11.2
242.08014	0.8
245.05170	2.9
246.05338	0.7
247.06758	3.1
247.10324	1.0
251.09865	1.9
259.06711	7.2
271.03784	0.5
273.08328	0.6
277.07712	100.0
278.07886	1.5
281.09851	0.9
286.60699	0.5
294.98306	0.9
295.08768	16.1
295.12381	31.4
303.09436	0.7
311.10135	1.0
318.10202	1.5
321.10245	0.7
338.08511	0.7
353.11014	0.7
369.05722	2.3
413.04602	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	412.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20449	0.3
55.05496	0.3
56.05015	0.5
57.03436	0.6
58.06615	0.5
60.08165	6.0
67.05505	2.8
69.07045	0.4
70.78133	0.5
71.07372	2.5
73.02892	0.3
81.07056	0.5
82.15729	0.2
82.59778	0.2
85.22478	0.2
86.09708	28.6
91.05455	0.4
98.98467	2.1
100.89378	0.2
103.95318	0.2
104.10735	2.6
109.10159	2.6
120.08193	0.3
124.55824	0.2
125.00009	19.4
129.09206	0.2
135.03072	0.2
137.58076	0.3
152.05676	1.8
155.10736	0.3
173.11766	0.4
184.07341	100.0
185.07672	0.3
229.14297	0.6
331.73871	0.3
342.71817	0.3
394.20120	1.4
412.21057	7.7
412.26691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0483
Annotation	OREGON GREEN 488 CARBOXYLATE
Peak:m/z	Relative Intensity
53.49633	1.5
58.37607	1.3
69.75277	8.3
72.24955	1.3
85.02890	2.2
87.54720	1.2
101.00871	2.2
112.99155	3.9
115.02441	7.8
119.01937	2.3
129.03911	1.9
133.03485	16.6
134.52190	1.3
136.06190	1.3
141.03915	2.7
141.71796	1.4
147.05013	1.7
155.01929	1.3
159.05049	8.8
161.02989	2.1
164.99477	1.7
171.05078	2.4
175.04602	4.2
175.63010	1.3
177.06010	7.7
183.05052	1.4
189.06064	1.9
191.07617	1.7
195.07103	3.1
201.02434	2.8
209.08716	2.3
211.04576	1.7
215.07687	1.6
219.03503	3.6
219.07082	5.4
229.05640	2.4
233.08727	5.0
245.05035	2.3
259.06680	5.2
277.07703	47.6
295.08783	6.7
295.12378	15.6
369.05850	11.7
413.04758	100.0
414.04855	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05515	11.5
57.07063	7.1
60.45640	2.1
67.05509	20.1
67.90570	2.0
69.07069	24.9
69.40454	15.5
69.40862	3.9
70.86869	2.0
71.04990	14.2
71.08630	2.4
79.05485	9.8
81.07055	48.8
83.08606	11.9
86.92307	2.0
91.05491	12.4
93.07033	24.4
95.08610	52.1
97.06536	2.8
97.10163	8.4
105.07033	28.0
107.08604	39.5
109.06627	2.2
109.10162	56.2
111.11721	4.3
117.07033	4.4
119.08584	37.3
121.10148	33.7
123.11724	22.1
125.09647	5.2
127.11211	27.4
131.08571	8.6
133.10126	31.7
135.11674	24.1
137.13237	6.6
140.98798	2.0
141.12689	3.1
143.08554	4.1
145.10141	16.8
147.11696	24.7
149.13251	19.9
153.12762	6.6
157.10138	4.6
159.11708	25.8
161.13240	17.5
163.14830	18.7
171.11710	3.9
173.13284	13.6
175.14853	16.0
177.16377	16.8
185.13263	4.5
187.14807	14.9
189.16443	12.2
191.17911	10.0
199.14734	4.1
201.16386	14.7
203.17885	9.9
205.19559	2.1
213.16447	5.4
215.18005	14.0
217.19522	7.1
229.19531	10.8
231.21130	3.7
243.21094	6.8
245.22653	3.7
255.21059	3.4
257.22601	5.1
269.22607	2.9
271.24234	14.7
279.92627	2.2
283.24136	3.4
285.25809	2.4
309.25653	2.2
325.28867	13.0
341.28357	3.2
355.29825	3.5
393.35168	11.8
411.36197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01879	9.4
55.05510	5.9
56.96559	2.3
57.03442	22.7
57.88214	1.7
59.04987	3.3
60.04518	2.0
61.02932	18.0
67.05502	2.2
69.03436	47.9
70.06594	5.8
71.01344	4.6
71.04996	6.5
71.44649	3.6
72.08161	3.2
73.02923	94.0
73.06561	2.5
73.40137	1.8
74.06056	2.6
81.03435	5.1
83.04991	15.9
84.04510	2.8
84.08141	4.9
85.02910	100.0
85.06509	2.1
86.09732	5.3
87.04479	4.1
87.93368	1.7
88.07632	3.0
91.03954	4.7
95.04976	1.9
97.02901	79.4
97.03523	4.1
97.06554	1.8
98.97585	6.0
99.04420	3.1
101.06026	45.5
102.12839	7.9
103.03938	3.2
105.51344	1.7
109.02847	8.0
110.07150	2.4
112.99136	2.4
115.03939	52.0
116.98728	1.8
120.04964	1.7
120.08086	2.6
121.02862	1.6
123.04416	2.0
126.05753	1.5
127.03014	2.8
127.03928	39.5
129.10255	3.1
133.04971	66.8
133.10098	1.7
134.06039	2.8
135.04442	2.2
136.06161	2.3
136.07578	2.1
137.06032	1.9
144.06584	2.7
145.04967	53.5
145.12199	1.6
150.07626	3.6
156.06580	2.8
158.99832	2.0
162.07661	2.1
163.03922	4.8
163.06039	17.0
180.08670	3.9
184.07275	3.7
187.06123	2.3
193.04932	2.7
197.08081	16.6
199.06075	2.5
215.09210	3.9
217.07198	2.2
219.01807	2.2
223.06007	7.5
233.10268	4.1
241.07181	9.3
259.08102	12.3
277.09125	4.2
294.11896	3.0
295.10229	4.4
410.08231	1.9
412.20972	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	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05508	18.4
57.07078	8.3
66.91553	6.0
67.05499	29.2
67.99770	5.5
69.03410	11.0
69.07061	34.5
70.70054	19.3
72.08134	8.0
73.14870	6.1
78.68518	6.2
79.05495	20.6
81.07061	95.8
83.08604	26.2
86.09702	13.9
91.05476	15.1
93.07047	48.0
95.08607	97.0
97.06508	7.2
97.10178	15.3
105.07062	29.2
107.08592	74.4
109.06502	10.8
109.10165	66.0
119.08593	29.1
121.10151	66.9
123.11691	35.7
125.09595	14.1
133.10143	27.2
135.11703	41.6
137.13272	14.3
145.10124	24.2
147.11674	27.2
149.13257	40.9
151.11250	7.6
157.10001	8.0
159.11696	20.4
161.13292	28.1
163.14792	27.9
165.16264	6.7
173.13269	17.2
175.14804	18.8
177.16370	18.9
187.14790	10.6
189.16331	13.3
191.17953	7.7
201.16432	9.6
202.64188	6.2
203.18021	15.5
217.19470	12.9
227.17995	8.4
245.22578	14.3
258.62369	6.9
271.24203	7.3
393.35074	21.7
411.36276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05517	19.6
57.07072	8.2
67.05514	31.2
68.53351	4.7
69.03427	18.1
69.07075	77.7
69.83589	26.3
79.05499	18.0
81.07053	100.0
83.08622	18.5
90.84002	4.7
91.05476	16.8
93.07047	44.5
95.08613	96.6
97.06550	10.4
97.10172	16.3
101.09657	31.9
101.81834	6.6
105.07014	32.4
107.08601	77.7
109.10165	82.2
111.11754	6.6
119.08582	31.2
119.58210	5.3
121.10143	71.7
121.10942	7.5
123.11678	42.5
125.09650	15.4
127.11204	11.4
131.08591	7.0
133.10138	35.5
135.11713	37.0
137.13260	20.0
145.10132	17.8
147.11699	30.7
149.13248	41.8
149.40370	5.0
151.11221	6.2
159.11728	18.0
160.68256	5.2
161.13274	20.6
163.14870	25.0
165.12769	6.1
173.13254	15.3
175.14864	21.0
177.16405	16.9
187.14909	7.9
189.16385	18.0
191.17908	13.2
201.16393	10.8
203.17964	10.9
205.19514	6.1
208.55370	4.6
213.16385	7.5
217.19470	9.2
231.21033	6.0
243.21165	8.5
244.98778	5.6
245.22765	14.3
257.22769	8.9
271.24203	12.6
291.09476	5.3
347.25604	7.9
393.35175	27.2
411.36176	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2009
Annotation	Pteroside A
Peak:m/z	Relative Intensity
53.03950	2.4
55.01871	4.8
55.05514	6.0
57.03246	0.7
57.03445	7.5
65.03973	1.5
66.04656	0.9
67.05512	8.9
68.99763	1.0
69.03433	6.3
69.07072	2.4
70.06601	1.6
71.01330	1.3
71.04972	2.3
71.53901	1.5
72.08138	0.8
73.02925	1.4
79.05501	10.8
81.03419	16.2
81.07061	9.8
83.04973	3.0
83.08628	3.2
84.08120	1.2
85.02914	7.3
85.06565	1.3
86.09705	1.8
91.05486	13.0
92.82397	0.9
93.03407	0.9
93.07050	9.5
95.01344	2.1
95.04979	28.4
95.08607	6.4
97.02882	5.2
97.06542	3.8
97.10173	3.4
98.97563	2.1
99.04444	1.9
101.14982	0.9
103.03963	5.7
103.05502	1.7
105.03383	1.1
105.07038	8.7
105.51900	1.0
107.04977	8.9
107.08575	5.7
107.43486	0.8
109.02874	4.5
109.06508	3.5
109.10183	2.3
111.04441	3.7
111.08091	1.1
115.03918	1.3
115.05451	1.9
117.07040	6.2
119.04969	3.3
119.08585	6.2
120.08102	0.8
121.02859	2.6
121.06503	6.6
121.10145	4.3
123.04452	6.1
123.08083	2.1
125.09641	2.4
127.03936	5.4
128.06194	1.2
129.07005	3.3
131.04927	3.1
131.08592	6.5
133.06499	3.4
133.10071	4.6
135.04431	2.6
135.08066	5.7
135.11700	3.4
136.07570	0.9
137.02359	1.1
137.05957	3.2
139.03954	1.9
141.06973	1.8
143.08577	2.8
145.06520	3.6
145.10110	4.4
147.04419	7.3
147.08067	3.4
147.11707	2.4
149.05995	5.6
149.09634	2.8
151.07571	1.3
153.06989	1.0
153.09102	1.5
155.08539	1.8
157.10159	2.1
159.08093	2.2
159.11754	2.3
161.06012	5.2
161.09663	3.8
163.03963	1.3
163.07602	1.2
163.11191	7.5
167.08562	1.1
169.10158	1.0
171.04472	0.9
171.08023	1.3
171.11685	2.2
171.16756	0.9
173.06027	2.5
173.09663	1.5
175.03851	0.8
175.07605	2.5
175.11183	1.3
177.05576	1.2
177.12762	1.5
183.08102	0.9
184.07388	4.6
185.09587	1.3
185.13286	2.8
187.07634	2.0
187.11214	1.7
189.05504	3.8
189.09192	1.2
189.11206	1.7
189.12827	1.7
191.10744	0.9
193.12292	3.5
196.84441	0.9
201.12720	1.2
203.05276	1.4
203.07022	1.1
203.10686	1.3
205.12291	2.3
207.13850	2.4
211.11249	0.9
211.13405	1.2
213.12758	1.1
219.13866	1.9
223.13364	3.5
227.14426	1.6
231.13754	2.9
235.13310	4.8
237.14919	1.2
243.08858	1.6
243.13991	1.1
247.13220	1.2
249.14850	4.3
255.13716	1.6
259.13239	4.1
261.14615	0.9
271.13364	1.3
273.14856	15.7
277.14447	3.2
279.15979	1.3
283.13345	2.8
289.14420	3.8
291.16098	1.2
301.14377	15.6
306.89215	0.9
319.15427	7.0
337.16531	2.6
345.16922	1.3
351.18323	1.0
357.16986	0.9
363.17944	5.7
375.18030	12.8
393.19257	6.1
393.23557	1.0
411.20007	100.0
412.20294	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	411.1993
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05511	1.1
59.44667	0.6
65.18865	0.6
67.05505	0.6
69.03425	1.6
70.06597	1.8
70.76627	1.6
72.49120	0.6
84.04506	1.0
84.08150	0.7
85.02898	1.4
85.63941	0.6
86.09724	1.1
93.37823	0.6
98.97602	1.4
100.89105	0.6
107.53086	0.6
109.10161	0.7
162.02155	0.8
163.03876	1.8
168.06583	0.7
183.19202	0.6
194.53600	0.6
203.05289	10.0
204.23235	0.6
217.50209	0.7
231.09964	1.3
231.13638	2.0
267.10699	0.9
291.10825	1.5
291.14142	1.0
309.11871	1.2
347.12299	1.2
348.26941	0.7
353.15723	9.3
393.12766	3.1
411.20276	100.0
412.20215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.01864	0.4
56.96559	0.3
65.70311	0.2
65.84320	0.2
67.05502	0.4
69.03419	0.5
69.42217	1.9
70.06575	0.5
79.05496	0.4
81.03422	0.9
81.07046	0.6
83.04976	0.3
84.08151	0.4
85.02879	0.7
86.09705	0.5
91.05496	0.6
93.07039	0.4
95.04941	0.4
95.08604	0.4
97.02906	0.4
98.21449	0.5
98.97568	0.3
105.07024	0.4
107.08639	0.4
109.02934	0.3
111.04422	0.4
145.10254	0.3
161.09583	0.3
163.11232	0.3
169.10220	0.3
231.13629	0.4
249.14732	0.9
367.13785	0.3
411.19928	100.0
412.20401	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1992
Annotation	Flumethasone
Peak:m/z	Relative Intensity
51.90052	0.4
53.03955	0.4
55.01878	0.5
55.05509	1.4
56.96581	0.5
57.03440	0.7
59.82831	0.4
67.05497	1.2
69.03428	1.3
69.07054	0.7
69.22403	3.0
69.22812	0.5
70.06597	1.7
73.02899	0.4
79.05496	2.0
81.03420	2.9
81.07058	1.6
83.04985	0.6
83.08621	0.5
85.02905	1.9
85.03381	0.3
87.01857	0.5
89.77311	0.4
91.05482	2.3
93.07047	1.7
95.04980	2.3
95.08614	1.2
97.02887	1.0
98.97603	1.5
99.04425	0.5
105.01875	0.5
105.07042	1.7
107.04956	1.4
107.08588	0.9
109.02863	1.0
109.10201	0.5
111.04448	1.0
117.06989	0.9
119.04963	0.7
119.08556	0.7
120.08136	0.7
121.02904	0.5
121.06507	0.9
121.10144	0.8
125.09684	0.5
127.03941	0.8
128.98512	0.4
129.06996	0.7
131.04921	0.6
131.08585	0.6
133.06526	0.5
133.10129	1.2
135.04491	0.5
135.08118	0.6
135.11652	0.6
137.09521	0.4
138.06497	0.4
143.08578	0.5
145.06462	0.7
145.08563	0.5
145.10135	0.9
147.04413	0.9
149.06026	0.8
155.65245	0.4
158.99678	0.5
161.06009	0.9
161.09621	0.7
163.11197	1.3
167.55513	0.4
173.05870	0.5
173.13315	0.6
175.11324	0.5
187.07506	0.4
189.05528	0.7
203.05275	3.0
204.10211	0.4
205.10474	0.4
206.79138	0.4
231.11452	0.7
231.13655	0.9
249.12254	0.7
249.14792	1.2
259.13135	0.5
273.14902	3.7
283.13492	0.6
301.14407	1.8
319.15482	1.0
363.18130	1.2
365.19562	0.5
367.17365	1.3
375.17999	2.0
381.19028	3.0
393.14282	0.4
393.19226	1.6
411.19943	100.0
412.20108	2.2
419.48499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
56.05027	0.3
56.96560	0.7
61.71614	0.3
69.03425	0.8
70.06584	0.8
71.25977	0.8
74.06068	1.1
84.04509	0.3
84.08149	0.5
85.02899	1.1
91.05463	1.0
97.02904	0.7
98.97576	1.0
112.99108	0.5
117.05762	0.7
118.06538	6.9
120.08087	0.7
122.07201	0.2
127.03885	0.4
131.00140	0.4
133.07585	1.3
134.99622	0.3
137.05975	0.6
145.07605	100.0
146.05984	0.4
146.08064	1.0
154.04970	1.0
163.03879	0.4
163.08667	15.8
166.08626	0.3
188.07019	0.3
196.13393	0.3
237.02689	0.5
240.08260	0.4
246.10944	0.3
249.12350	0.7
276.35419	0.3
295.06924	0.4
325.13937	1.6
367.14993	19.7
411.13977	23.9
412.14334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51308	0.4
62.79774	0.4
70.57056	1.2
85.02905	0.5
90.49316	0.4
107.91660	0.4
113.59981	0.5
163.03932	0.8
169.52010	0.5
189.07631	0.5
203.05330	1.2
205.07092	0.5
207.08655	1.1
224.72227	0.4
231.08633	0.5
231.13503	0.6
249.09866	1.6
255.10593	0.5
267.10791	3.8
291.10730	1.0
309.11850	1.3
351.12979	0.7
371.81491	0.5
393.19110	0.6
411.16122	100.0
411.20044	22.5
412.16486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.61882	1.1
56.04795	1.5
56.05036	18.5
56.96553	4.5
57.03423	2.3
58.06604	23.9
60.04232	2.1
60.04529	41.8
64.25880	0.9
69.04554	2.7
69.24161	0.9
70.06603	2.1
70.33411	1.4
70.33763	3.1
72.04488	1.5
72.74219	1.1
74.06084	100.0
84.04510	9.1
84.96026	1.2
86.06055	4.0
88.09842	1.0
89.07146	2.9
89.62794	1.0
91.05485	2.1
91.69602	1.1
96.04485	6.6
98.97593	1.7
103.05474	3.5
111.05599	1.7
113.07121	14.0
115.08716	1.4
117.06613	14.6
120.08112	67.6
121.02886	6.2
130.04988	1.9
131.04959	1.5
131.08142	4.2
141.06557	1.8
143.00148	1.6
143.66394	1.1
144.08124	1.2
145.06096	13.0
146.06053	2.6
146.09644	9.4
153.06569	2.0
158.09665	4.5
159.07701	10.7
160.11246	2.6
166.08646	36.0
170.99684	1.2
175.12311	1.4
181.05989	1.4
182.09167	1.1
186.09099	4.5
192.10199	6.9
194.99713	2.0
199.08635	1.1
200.10310	18.0
201.08733	2.2
203.11816	6.5
213.00735	4.0
218.11383	8.8
221.12872	2.5
228.09868	5.2
231.01874	1.3
231.11211	1.6
246.10864	31.8
249.12357	53.6
260.13928	2.9
267.13409	22.9
282.57254	1.0
306.14453	15.1
324.15494	1.4
347.17096	3.2
369.04977	3.0
375.16562	2.0
387.06192	6.6
393.12939	2.2
393.17688	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	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01869	1.9
55.05505	1.3
57.03428	1.9
57.07073	2.4
58.47434	0.6
61.02925	1.9
68.99789	1.2
69.03439	8.0
69.07077	1.6
70.66461	1.8
71.04997	11.2
71.53939	0.7
71.71324	0.7
73.02904	2.2
73.06545	1.9
81.03430	7.0
81.07061	0.7
83.08640	1.0
85.02913	20.3
87.00835	9.3
87.08087	0.9
97.02895	9.8
99.04459	2.5
105.01878	7.4
109.02878	7.1
109.10186	3.8
117.01860	1.3
127.03938	9.6
127.11201	23.8
128.04300	0.7
129.01833	1.2
145.04970	6.6
145.12245	100.0
146.12543	0.9
159.02921	3.4
165.90924	0.6
169.06461	0.6
225.98933	0.7
231.04968	2.0
232.73053	0.7
324.08337	1.5
366.22839	1.4
410.09326	2.6
410.18832	1.4
410.25348	1.7
411.19510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.95692	1.0
53.03941	4.3
55.01870	1.4
55.05510	18.7
57.03428	2.4
57.06812	0.9
57.07061	4.8
59.04989	3.0
65.03934	2.5
67.05507	16.0
69.03431	7.0
69.07079	5.5
69.34451	7.7
77.03924	1.5
79.05069	1.5
79.05497	22.3
80.87770	1.0
81.03414	2.6
81.07060	29.6
83.04997	5.1
83.08622	1.8
85.06531	2.9
87.72543	0.9
91.05483	33.2
93.07048	44.6
95.04971	47.0
95.08608	26.7
97.02876	1.5
97.06537	7.7
98.76524	1.1
101.06023	3.1
103.05463	3.7
105.07034	100.0
107.04939	1.5
107.08595	23.3
108.05727	1.2
109.06540	10.8
109.10168	7.0
111.08054	1.8
115.05470	2.0
116.06203	1.6
117.07016	13.3
119.04903	3.1
119.08586	59.7
120.09360	1.3
121.06516	15.1
121.09305	1.6
121.10147	15.1
123.08072	13.8
123.11722	2.0
125.06050	1.4
128.06224	4.6
129.07013	8.9
130.07776	4.3
131.08560	20.9
132.09335	2.6
133.06503	5.3
133.10124	17.6
135.08049	13.0
135.11691	3.5
137.05998	2.5
137.09618	6.5
141.06992	4.8
142.07770	14.5
143.08566	12.7
144.09328	4.7
145.06483	2.9
145.10129	35.4
146.07373	1.2
146.10890	2.2
147.08040	14.4
147.09142	2.0
147.11687	46.1
148.08850	1.3
149.09624	10.0
149.13303	1.2
150.07793	1.0
150.56844	1.1
151.07549	15.8
153.07054	1.6
153.09097	1.3
154.07848	1.4
155.08521	6.1
156.09348	5.3
157.10126	21.2
158.10925	2.3
159.08107	5.4
159.11693	14.2
160.08853	1.2
161.09608	8.1
161.13324	5.9
163.07611	1.2
163.11189	3.7
165.07016	1.7
165.09116	26.3
167.08591	2.8
168.09331	2.8
169.10107	8.8
170.10956	1.5
171.11708	9.1
173.09586	5.8
173.13213	6.7
174.10434	1.8
175.11185	34.9
175.14795	2.0
177.09151	3.9
178.09871	2.9
179.08565	2.3
181.10115	3.9
181.12265	2.3
182.10898	2.7
183.11708	10.4
185.09621	1.9
185.13287	3.9
187.11212	4.5
187.14772	2.6
189.12732	5.0
191.14392	2.1
193.10185	2.7
194.10916	1.7
195.11728	4.0
196.12418	1.8
197.13301	3.3
199.11169	2.5
199.14838	2.8
201.12753	7.4
201.16370	2.5
203.14314	12.4
205.12227	1.2
207.11839	2.4
207.13824	7.8
209.13300	4.1
209.15384	4.2
211.11241	1.9
211.14832	5.3
213.12724	2.1
213.16415	1.3
215.14336	2.7
216.15140	1.4
219.13739	5.3
221.13457	2.8
221.15358	70.3
223.14824	2.5
225.16429	2.5
227.14319	2.9
229.15887	4.4
231.13783	2.4
233.13263	1.4
233.15459	3.0
234.16168	18.1
243.13792	1.1
249.16472	1.6
251.14536	1.2
251.17891	1.2
253.15965	1.4
255.17488	1.0
267.17407	1.2
269.19052	1.4
282.20029	1.8
285.18527	1.9
286.19220	2.7
287.20071	7.5
293.19006	1.4
300.20953	7.4
329.20880	4.8
353.21042	1.3
391.21024	2.1
391.26349	7.1
409.27365	50.6
410.28156	1.4
427.58255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43862	3.0
53.03939	7.0
55.01875	3.0
55.05509	22.7
56.73073	2.9
57.07076	6.8
59.04973	3.9
60.95148	3.4
67.05509	26.3
69.03427	10.9
69.07062	8.8
69.93945	9.5
79.05481	19.1
81.07066	36.8
83.04980	12.0
83.08637	5.8
85.02896	8.5
85.06541	4.4
91.05489	43.4
93.07053	48.0
95.04968	56.9
95.08612	35.3
97.06538	14.1
98.97540	3.5
101.06010	8.6
103.05460	4.8
105.07038	100.0
107.08601	26.8
109.06525	12.6
109.10167	24.3
111.08089	4.3
117.07034	11.7
119.08585	73.1
121.06502	15.0
121.10146	18.0
123.08070	21.6
127.16123	2.7
128.06226	5.9
129.06998	11.6
130.07787	6.8
130.26283	2.5
131.08551	30.5
133.06494	7.8
133.07445	3.2
133.10150	28.2
135.08076	16.3
135.11674	7.6
136.60396	3.0
137.09607	6.3
141.06993	4.5
142.07785	18.9
143.08592	18.7
144.09343	4.5
145.10123	48.4
147.08070	19.0
147.11720	35.2
149.09628	10.0
151.07541	24.2
153.07076	4.7
153.09084	4.4
155.08530	9.4
156.09390	5.3
157.10172	29.1
159.08078	8.6
159.11676	17.9
161.09641	11.6
161.13255	4.3
163.11156	4.7
165.09113	38.6
165.11813	2.6
167.08554	5.5
169.10150	16.0
170.10904	3.4
171.11705	14.7
173.09593	9.7
173.13304	6.2
175.11206	26.0
175.14937	3.7
177.09108	5.5
180.09348	4.5
181.10153	6.3
181.12291	4.3
183.11693	14.2
185.13356	8.0
187.11162	8.4
187.14917	4.4
189.12769	10.9
193.10220	3.6
197.13222	3.7
199.11079	4.1
199.14743	4.2
201.12749	9.9
203.14258	15.4
207.11975	3.3
207.13817	10.0
209.13260	6.7
209.15256	3.3
211.14818	11.4
219.13733	3.9
221.15378	79.6
229.15900	5.5
233.15331	4.0
234.16200	18.8
235.14668	3.5
239.14195	3.5
287.20050	6.7
300.20825	7.7
317.87503	3.1
329.21207	6.8
391.20612	6.5
391.26279	10.8
409.27362	92.4
415.50531	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01860	2.9
55.05510	18.4
57.03424	1.7
57.07082	6.3
59.05008	2.4
62.07485	1.3
63.32395	1.3
65.03938	3.4
66.98406	1.3
67.05503	19.4
67.91863	1.3
69.03429	7.4
69.07079	8.7
69.12878	1.3
71.74313	1.2
79.05498	20.8
81.03415	3.0
81.07061	30.8
83.04983	5.6
83.08635	1.6
85.06543	3.1
91.05485	37.7
93.06483	2.4
93.07047	45.7
95.04967	47.9
95.08615	23.6
97.06531	8.0
101.06009	2.6
103.05477	3.1
105.07033	100.0
107.04922	2.9
107.08598	24.9
109.06514	9.0
109.10145	7.5
111.04456	1.5
115.05482	3.0
117.07040	13.0
119.04939	2.8
119.08587	61.0
121.06526	17.6
121.10136	16.9
123.08074	16.5
123.11710	2.6
125.05996	1.9
128.06207	4.9
129.07019	7.5
130.07791	4.0
131.08554	22.0
132.09361	3.0
133.06491	5.1
133.10144	17.4
135.08069	10.9
135.11691	3.6
137.09612	9.3
141.06985	3.2
142.07811	13.5
143.08553	17.4
144.09357	4.4
145.06441	2.1
145.10132	34.3
147.08063	12.6
147.11700	43.2
148.08862	1.6
149.09602	13.0
151.07545	14.3
153.09099	2.5
154.07770	2.6
154.94121	1.7
155.08575	7.9
156.09351	4.7
157.10136	19.5
159.08023	7.0
159.11688	11.2
160.08911	2.4
161.09663	8.2
161.13287	5.4
163.11185	2.6
165.07013	1.9
165.09122	27.5
166.07848	2.0
167.08589	3.2
168.09323	3.1
169.10130	10.0
170.10774	1.6
171.11668	10.7
172.12445	1.5
173.09657	6.9
173.13281	6.6
175.11194	31.3
175.14677	1.7
177.09125	2.6
178.09952	1.5
180.09375	1.7
181.10129	4.7
181.29045	1.4
182.10957	2.2
183.11708	10.8
185.13293	6.0
187.11180	3.8
187.14799	2.9
189.12794	4.9
191.14455	1.5
193.10181	2.6
194.10959	1.9
195.11760	4.0
196.12553	2.2
197.13348	4.1
199.11226	3.0
199.14784	1.4
201.12752	7.9
201.16319	2.2
203.14325	12.7
207.11929	3.0
207.13873	9.1
209.13365	4.2
209.15405	3.9
211.14754	3.5
213.12807	3.7
213.16615	1.5
215.14268	3.0
216.15178	2.5
219.13837	4.6
221.13351	3.2
221.15366	66.3
223.14911	3.3
227.14275	2.1
229.15942	5.4
231.13835	4.1
233.13242	1.6
233.15395	3.1
234.16167	21.5
239.14359	1.9
239.18001	1.8
247.14749	2.0
247.17172	1.8
253.16019	2.7
263.16571	1.5
269.19034	1.9
271.17065	2.0
286.19339	2.2
287.19931	7.0
299.20065	2.3
300.20755	7.3
313.21777	1.9
329.21149	4.5
391.26401	6.4
409.27380	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11806	2.3
53.03937	4.5
55.01867	3.6
55.05516	22.8
57.03431	3.4
57.07070	5.4
59.04994	5.0
60.93018	2.0
67.05510	27.4
68.85026	2.3
69.03419	9.9
69.07058	7.8
69.16306	17.7
79.05503	20.1
80.40065	2.0
81.03395	2.8
81.07059	36.8
82.51286	2.2
83.04971	8.3
83.08623	3.1
85.02895	4.7
85.06524	2.6
91.05483	39.0
93.07050	46.5
93.75629	2.6
95.04974	53.5
95.08614	32.2
97.02922	4.1
97.06538	8.9
98.20793	4.5
101.06023	9.5
103.05440	2.9
105.07038	100.0
106.17495	2.3
107.08606	28.3
109.06521	13.1
109.10155	10.7
116.06230	3.1
117.07021	18.9
119.04989	2.5
119.08582	63.3
121.06503	19.2
121.10142	22.0
123.08078	21.9
123.11744	3.5
127.03952	2.8
128.06197	5.0
129.06995	11.0
130.07794	6.6
131.08562	24.7
133.06499	7.4
133.10138	20.4
135.08044	15.5
135.11710	5.2
137.05908	2.3
137.09605	8.9
141.06993	5.1
142.07809	14.1
143.08545	17.9
144.09309	3.8
145.04915	2.2
145.06453	4.0
145.10121	38.9
146.10849	2.2
147.08041	15.5
147.11690	36.1
149.09650	11.5
149.13213	2.1
151.07538	19.1
153.05544	2.1
153.09148	2.4
154.07770	2.4
155.08566	8.6
156.09314	7.6
157.10165	23.2
159.08089	6.5
159.11722	12.7
161.09604	8.1
161.13312	4.8
163.11205	4.9
165.09131	28.8
168.09308	4.1
169.10156	10.4
171.08087	2.4
171.11702	9.3
172.08894	2.1
173.09615	5.7
173.13261	11.4
175.11194	31.0
177.09132	4.9
179.08540	2.7
181.10155	5.1
181.12263	3.0
182.10919	3.5
183.11688	13.4
185.13251	5.1
187.11224	5.5
187.14854	4.7
189.12740	6.2
193.10204	2.4
195.11630	2.8
196.12338	3.1
197.13261	4.0
199.11157	3.4
201.12718	9.2
203.14313	12.2
207.13760	6.0
209.13394	3.1
209.15257	3.2
211.14824	7.9
215.14325	3.5
219.13783	4.7
221.13284	3.5
221.15353	79.1
225.16432	3.8
229.15903	4.4
234.16167	20.1
235.14714	2.9
253.06352	2.2
265.16122	2.2
274.07358	2.3
286.19193	5.7
287.20126	8.5
300.20648	4.2
329.21088	5.6
391.26260	9.0
409.27374	62.1
409.33582	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	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.96571	1.7
67.05495	0.7
69.07063	0.4
69.59019	2.2
78.77332	0.3
79.05492	0.7
81.07071	0.9
91.05480	0.4
93.07050	0.9
95.04957	0.6
95.08592	0.4
98.20844	0.5
101.06019	0.6
105.06982	0.3
107.08609	0.5
109.10197	0.8
118.54498	0.3
119.08619	0.4
121.10124	0.7
199.06439	0.4
213.07999	1.4
229.07500	2.2
231.09113	1.0
243.09145	0.6
247.08514	1.2
251.16232	0.6
261.10214	0.7
269.10388	0.4
285.10349	0.3
295.15219	0.6
309.16287	0.3
331.15668	0.6
349.16833	5.5
353.90927	0.4
367.17953	1.3
390.19528	0.8
409.25629	100.0
410.26266	1.9
432.72028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94855	0.3
55.05514	0.4
58.76716	0.4
66.39319	0.3
67.05507	0.6
69.07063	0.4
71.54767	0.3
79.51734	0.3
81.07055	1.0
82.26798	0.3
86.09722	0.6
87.42516	0.3
93.07053	0.7
95.08619	0.4
97.10139	0.4
105.07026	0.4
109.10165	0.4
157.10199	0.4
292.67740	0.3
295.15128	0.7
304.23553	0.3
309.16858	0.5
331.15826	0.9
349.16864	1.4
367.18109	0.7
409.25647	100.0
410.25903	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	409.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.2
56.96560	10.9
65.78049	2.7
67.05515	15.3
69.07081	3.7
69.59634	17.8
72.59724	2.3
79.05473	6.1
81.07042	10.9
85.02926	3.3
86.09689	3.3
91.05489	6.0
93.07049	7.6
95.08603	6.9
97.06523	4.2
105.07010	5.1
107.08560	6.9
109.10143	9.7
110.97565	3.3
119.08569	4.5
121.10114	4.0
128.98598	6.2
133.10161	4.2
135.11714	3.9
143.00166	3.6
143.08647	3.5
145.10091	3.4
147.11623	3.0
148.00392	3.0
171.03322	3.1
185.04840	3.2
197.01106	6.5
199.06441	7.6
215.02242	4.5
216.42967	2.9
217.07368	4.3
229.07524	7.8
239.05923	7.2
257.06949	13.7
258.07745	13.9
276.08740	5.0
331.15817	15.4
349.12540	5.0
349.16849	100.0
367.17969	30.1
371.15338	4.1
390.19540	17.9
409.20895	3.5
409.25989	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	409.0897
Annotation	Torosaflavone C
Peak:m/z	Relative Intensity
55.71540	2.7
56.96562	4.7
66.45094	3.3
69.07032	4.4
70.55053	6.9
71.04951	3.3
80.02383	2.7
85.02894	6.4
86.86787	3.1
92.35896	2.9
98.20905	3.0
98.97576	14.9
110.97580	4.8
116.98569	3.5
127.03910	4.4
144.73450	3.0
145.12215	10.7
151.81006	2.9
158.89937	2.9
165.86482	3.0
166.08606	3.4
193.05994	3.0
194.08226	4.5
203.05234	3.2
219.01834	9.0
221.04959	3.2
237.02811	6.8
323.08017	28.3
341.09100	20.4
363.03763	3.5
365.09277	7.9
409.08954	100.0
409.18094	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06600	0.4
70.87485	0.4
70.87804	0.4
74.85284	0.3
74.95860	0.3
79.42514	0.3
81.07036	0.5
82.39414	0.3
105.07021	0.4
207.60838	0.3
211.92442	0.4
247.13315	0.4
349.09879	0.4
409.18347	100.0
410.18665	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1839
Annotation	Diaspanoside B
Peak:m/z	Relative Intensity
53.03945	0.4
55.01860	0.4
55.05511	0.9
55.36420	0.3
57.07066	0.4
59.52797	0.3
60.11800	0.3
67.05500	0.8
69.03416	1.0
69.07057	1.4
69.23315	3.3
70.06589	0.6
71.04967	0.4
79.05487	0.8
81.03422	0.6
81.07049	1.7
83.04978	0.9
83.08617	0.7
84.88343	0.3
85.02901	1.0
86.09689	0.5
91.05483	1.3
93.07053	2.3
95.04965	1.3
95.08601	1.1
97.02889	0.5
97.06535	0.9
98.20724	0.7
98.97591	0.5
99.04483	0.3
101.96518	0.3
102.51987	0.3
105.01810	0.3
105.07037	2.0
107.04972	0.4
107.08578	1.7
109.06575	0.5
109.10146	0.6
117.07021	0.4
118.37254	0.3
119.08595	1.2
121.06493	0.9
121.10155	0.5
127.03905	0.9
131.08588	0.5
133.10141	1.2
135.08070	0.4
137.05956	0.6
143.14354	0.4
145.10121	0.7
147.11707	2.0
151.07658	0.4
157.10117	0.8
159.11818	0.3
161.06088	0.4
161.09663	0.4
161.13347	0.4
165.12750	0.4
166.08708	0.4
171.11665	0.6
175.07335	0.4
175.11191	0.8
189.12766	0.9
193.12282	0.5
202.77354	0.3
203.05319	1.1
205.97505	0.3
207.13828	0.4
217.12231	1.7
219.01628	0.3
224.07877	0.4
229.11948	2.8
235.13354	1.0
247.13037	3.2
253.14465	0.5
262.43390	0.4
325.33395	0.3
370.69159	0.4
391.16858	0.4
409.18365	100.0
410.18530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01854	1.4
55.05519	10.6
55.94284	1.2
56.00596	1.1
56.96568	1.7
57.03431	5.3
61.02927	3.0
67.05510	16.3
68.21917	1.3
69.03436	4.8
69.07072	13.7
69.47940	2.5
69.48351	5.4
71.04995	5.1
79.05487	10.0
81.03419	3.8
81.07059	49.6
83.04990	4.8
83.08622	9.4
85.02916	18.4
85.06551	6.3
91.05484	11.8
93.07056	11.4
95.05001	1.7
95.08615	63.8
97.02896	5.5
97.06538	14.6
97.10174	5.1
98.97595	1.2
99.08099	5.9
105.07046	17.0
107.08611	5.2
109.06547	2.9
109.10162	6.1
111.08091	3.2
113.09663	3.5
115.07513	1.3
119.08585	28.1
121.10175	6.6
123.08096	2.1
127.03926	4.6
129.09093	2.0
133.10130	23.2
135.11697	9.4
137.09616	1.8
137.13257	9.9
145.04994	2.1
149.02321	1.3
149.13304	1.6
151.14795	1.7
154.84407	1.3
161.13268	71.4
179.14316	100.0
180.14662	1.4
197.15388	9.4
199.16974	5.4
211.16953	44.5
229.07590	1.7
229.17981	23.6
255.09190	1.8
267.16000	1.5
269.10400	1.8
290.08929	1.2
367.18011	4.6
369.19275	1.5
385.19113	2.0
408.19785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	6.0
57.03424	1.9
67.05520	3.7
69.03422	3.6
69.07072	13.8
69.56133	12.7
70.06565	2.6
71.04977	7.3
72.08152	4.7
79.05474	5.1
81.03408	2.1
81.07069	10.8
83.08601	7.5
84.04501	2.5
85.02910	9.8
85.06544	2.4
86.09700	3.3
91.05485	2.3
93.07028	10.9
95.04969	2.1
95.08627	17.4
97.02890	1.9
97.06525	13.7
99.04439	6.5
99.08100	2.4
102.72124	1.8
105.07017	5.9
106.22751	1.9
106.39352	1.8
107.07993	1.9
107.08593	13.2
109.06529	8.9
109.10166	23.2
111.08061	2.1
111.11710	2.2
115.07566	10.5
119.08579	15.7
120.08091	4.2
121.10147	8.5
121.81905	1.7
123.08099	4.5
123.11729	10.2
127.03946	2.8
127.11272	1.8
130.50288	1.7
133.10147	36.4
133.90398	1.8
135.11697	30.2
136.07625	2.2
137.09612	7.2
141.09138	2.6
145.04996	2.2
147.11647	2.9
149.13275	11.6
153.12776	3.4
156.91023	1.8
174.94556	1.8
175.14835	58.7
177.16368	5.7
193.15897	64.9
211.16948	100.0
236.16525	1.8
276.67596	1.8
344.02048	1.9
380.04916	3.0
409.18460	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02686	1.2
55.05508	2.6
56.96303	2.1
56.96566	26.9
59.24632	1.0
67.05492	3.9
69.07047	1.5
69.43813	3.5
69.44235	5.9
71.95262	2.3
79.05471	2.4
81.03401	1.8
81.07047	1.6
85.02882	2.1
90.95615	1.2
91.05418	1.4
93.07034	2.7
95.04978	1.6
95.08584	1.6
97.06474	2.3
97.76829	1.1
98.97569	1.8
103.00674	1.4
105.07000	2.4
107.04954	1.5
109.10129	1.6
110.97509	2.5
115.00653	1.9
118.08643	5.2
120.67456	1.1
123.01218	1.1
128.98582	1.3
137.02699	1.3
138.75471	1.2
141.02216	1.9
153.02206	3.6
155.03813	2.2
165.02162	1.5
169.01697	2.0
171.03285	5.2
181.05417	1.4
183.03339	2.7
183.06990	2.1
185.04781	3.1
189.04337	4.2
195.06927	1.9
197.04912	1.7
199.06430	16.1
203.05911	3.9
205.05435	1.8
209.08549	1.2
211.06401	2.2
213.07986	8.5
215.05824	1.6
217.07454	12.5
222.08173	2.0
223.06406	8.4
227.05940	1.3
229.07457	8.8
231.09026	7.3
235.06407	3.1
239.09361	1.1
241.07475	27.6
243.09039	1.3
247.08543	3.3
251.09662	1.4
253.07443	8.8
253.11314	1.3
255.09013	4.7
259.08560	38.7
264.09033	2.4
269.10544	1.6
271.08539	4.8
277.09546	4.3
281.10648	1.2
282.10147	5.0
322.11694	3.3
331.15732	13.2
339.18494	2.8
349.16870	66.3
367.17932	100.0
368.17953	1.3
372.18393	4.0
385.18982	63.0
386.19189	1.5
390.19528	11.5
403.19989	2.3
408.20090	10.8
408.24829	9.9
408.35938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	29.1
58.99336	1.3
58.99593	15.9
67.05544	1.0
69.54752	6.9
70.06585	1.2
73.01147	2.3
76.02243	5.7
76.03995	2.3
79.05470	0.9
81.07080	1.9
83.06104	1.7
83.08626	42.8
84.04514	24.1
85.01078	1.0
86.99058	12.5
88.02213	2.3
93.81244	1.0
97.88998	1.0
98.21503	1.4
99.05556	1.7
101.09647	2.4
102.90515	0.8
105.00077	1.4
108.99600	1.0
116.01686	54.0
124.07648	1.2
129.06581	4.1
129.07399	1.5
130.05026	5.0
142.03198	4.1
144.01157	31.2
145.06087	1.9
151.25229	1.0
159.08405	31.9
162.02219	100.0
170.02759	1.4
176.11061	4.2
179.04825	1.6
205.08812	1.4
261.10632	1.3
262.11102	65.5
267.15973	1.5
279.13757	26.5
333.14822	17.0
390.17014	1.6
408.18073	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	408.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
56.05045	2.3
67.07365	0.4
69.03426	1.8
69.07082	0.5
70.06599	6.9
70.15075	0.8
70.15465	0.9
71.04993	1.3
72.04509	0.8
72.08162	2.9
74.06072	0.9
81.03409	1.8
83.28780	0.5
83.53710	0.4
84.04501	1.0
84.08147	3.5
85.02921	3.2
86.06068	1.1
86.09685	1.7
87.04487	0.7
88.07621	1.6
90.96729	0.5
96.04497	1.3
97.02910	1.5
98.97619	1.0
100.03975	2.1
109.02866	1.5
112.99190	0.4
114.05547	3.5
120.07317	0.4
120.08085	2.3
120.14192	0.6
121.06464	1.1
124.03952	1.8
127.03925	1.3
129.10237	2.4
130.08690	0.6
131.00191	0.4
136.07628	0.6
137.05981	0.7
142.05020	8.4
142.06546	2.3
142.08646	8.9
147.11588	0.5
150.05438	0.6
160.07582	1.9
163.03874	0.9
166.98239	0.4
167.07040	0.5
170.08138	100.0
171.11278	0.7
172.05240	0.5
179.03401	1.9
183.04845	0.8
183.06514	0.5
188.09178	7.3
230.10229	0.6
296.11234	2.4
314.12335	4.4
332.13480	2.2
333.19885	0.5
364.14020	1.0
372.16330	0.9
390.17410	0.8
406.70734	0.5
408.08182	0.6
408.12903	1.8
415.70157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	0.7
55.05517	2.3
57.03440	9.3
62.06099	0.7
66.64915	0.5
67.05503	5.1
69.03433	0.9
69.07056	1.8
69.20066	4.5
70.06593	0.8
71.04988	0.8
79.05502	4.1
81.03424	43.4
81.07054	5.7
82.03772	0.5
83.04989	2.1
83.08623	8.6
84.04497	0.6
85.02905	0.6
86.09707	4.2
91.05486	8.0
93.07050	3.4
95.04977	9.5
95.08603	1.7
96.61436	0.4
97.02927	1.2
97.06556	0.8
97.10183	1.0
105.07032	5.8
107.04944	1.9
107.08599	1.8
109.06524	1.9
109.10181	0.7
111.08084	2.9
115.05423	0.5
117.06989	0.6
118.50589	0.4
119.04935	0.8
119.08588	5.3
120.08109	3.7
121.06490	1.2
121.08474	0.7
121.10161	2.4
123.08073	0.9
125.09570	0.7
129.07043	4.2
131.08580	3.6
132.10173	0.5
133.06465	1.0
133.10146	2.1
136.07574	2.3
137.09665	0.9
142.07784	0.8
145.10098	0.5
147.07985	1.2
147.11650	3.1
149.09612	1.6
153.84120	0.5
157.10165	4.6
165.12752	0.8
175.11211	5.1
175.12608	0.7
193.12262	9.0
198.77029	0.4
211.13301	1.3
215.13899	0.6
216.06224	0.5
233.16548	0.8
236.16469	1.7
249.14919	0.8
267.15933	100.0
268.16284	1.1
293.10989	0.4
409.18277	0.7
410.51303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3523
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
53.03938	0.7
55.05505	2.9
57.07088	6.7
65.03951	3.2
67.05507	25.2
69.07073	6.7
69.46899	2.4
69.47324	2.2
70.34628	0.7
71.04987	4.6
71.08348	0.6
71.08640	6.4
76.47792	0.6
79.05499	0.9
81.07061	4.2
83.08624	4.0
85.10184	2.9
86.63947	0.6
88.76482	0.8
89.06001	0.9
91.05534	1.0
93.07053	2.3
95.04969	12.3
95.08617	4.3
97.06557	1.0
97.10178	3.3
99.04462	7.2
99.11733	0.9
105.03405	0.9
105.07035	1.1
107.08586	2.6
109.10204	3.2
109.63715	0.6
111.11697	2.6
113.06007	4.0
119.08592	2.1
121.10160	2.3
123.04434	14.3
123.08067	1.3
123.11710	1.8
125.06006	7.9
125.13260	1.1
129.05510	0.9
133.10101	2.6
135.11752	1.2
136.16435	0.7
137.09608	0.8
137.13264	0.9
139.07532	4.6
141.05469	100.0
142.05748	1.0
144.04059	0.6
145.10098	1.1
147.11714	1.5
149.13306	1.0
151.11194	1.2
155.06946	0.9
158.45570	0.7
159.11748	0.8
163.11217	1.1
165.09105	1.6
167.67233	0.7
175.11205	0.8
179.10721	0.7
189.12836	0.9
193.12148	1.0
197.01999	0.6
217.19632	1.1
229.34412	0.6
237.98717	0.7
239.14662	0.8
269.22675	1.0
329.32275	1.0
347.33054	3.3
356.50461	0.7
365.34219	1.1
389.34097	8.8
401.61987	0.8
407.35211	58.0
408.35648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05512	14.7
57.07075	6.5
58.78789	2.6
62.33886	2.2
67.05505	19.5
69.06799	2.9
69.07076	31.7
71.45813	3.7
74.06226	2.9
79.05505	13.1
81.07064	60.2
83.08627	9.9
89.06020	2.5
91.05483	8.1
93.07047	23.0
95.08609	54.7
97.10181	7.2
105.07037	21.6
105.96021	2.9
107.08123	2.1
107.08617	23.7
109.10159	37.5
111.11735	3.3
117.07014	4.4
119.08582	27.6
121.10163	25.0
123.11704	16.5
131.08565	9.9
133.10112	15.8
135.11707	18.5
137.13266	9.4
137.56711	2.4
143.08582	3.2
145.10143	18.0
147.11655	16.9
149.13260	13.2
157.10103	10.5
159.11693	18.1
161.13260	15.3
163.14828	7.5
171.11629	5.6
173.13263	15.9
175.14819	13.9
177.16318	6.9
185.13307	7.2
187.14832	6.7
189.16402	7.5
191.17970	4.4
199.14847	8.3
201.16376	7.7
203.18007	10.7
212.26700	2.5
213.16418	7.3
215.17966	8.7
217.19569	3.2
225.16507	3.1
227.17995	4.4
229.19513	9.3
231.21011	3.1
241.19516	3.0
243.21121	4.7
255.21188	6.8
257.22650	7.6
259.24374	3.6
269.22440	6.1
271.24075	4.3
283.24225	9.8
285.25967	2.9
297.25851	3.5
311.27463	3.0
325.28851	4.9
351.30338	4.9
407.36719	100.0
408.37061	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	407.2409
Annotation	Bakkenolide H
Peak:m/z	Relative Intensity
55.05502	1.0
56.96552	1.7
59.04995	0.8
67.05486	2.3
69.03422	1.0
69.07072	1.3
71.54582	0.8
76.78522	0.6
78.39323	0.6
79.05504	3.0
80.05841	0.8
81.07061	3.5
83.04967	1.0
83.08575	0.6
85.02889	0.7
89.73299	0.6
91.05477	2.9
93.07048	3.5
95.04974	3.2
95.08591	2.0
97.06511	1.4
98.97549	0.9
105.07047	4.8
107.04928	0.8
107.08591	3.0
109.06494	1.8
109.10144	1.2
117.07008	1.5
119.08588	3.4
121.06480	1.3
121.10121	1.3
123.08053	1.7
129.06960	1.2
131.08527	2.1
133.06456	0.8
133.10146	1.4
135.08046	2.1
141.07016	0.8
141.83891	0.6
142.07813	1.4
143.08565	2.3
144.09323	1.1
145.10167	3.1
147.08060	0.9
147.11737	0.8
149.09602	0.8
151.07497	1.7
155.08556	0.8
156.09305	0.7
157.10112	2.5
159.07912	0.9
159.11690	2.2
161.09584	0.7
165.09091	0.9
169.10114	1.3
171.11644	1.6
173.09761	0.7
173.13272	1.1
181.10069	1.3
183.11629	0.7
193.10173	0.9
197.13225	0.9
199.11157	1.4
209.13190	0.7
221.15311	1.0
260.25684	0.9
267.08978	1.5
283.15387	0.8
285.10019	1.2
285.18085	0.7
337.16263	1.0
366.21912	0.9
367.17877	0.7
389.24402	0.7
407.24081	100.0
408.24243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.05516	37.2
57.07083	66.2
61.62622	4.9
62.01331	4.9
67.05516	32.7
69.07076	98.6
69.88870	11.6
69.89265	14.7
71.08636	35.2
79.05495	28.1
81.07063	80.0
83.08620	54.8
85.10176	14.9
87.35196	5.3
89.06017	6.9
91.05455	15.6
93.07070	31.1
95.04913	6.5
95.08614	100.0
96.37920	6.3
97.06545	6.2
97.10177	28.2
99.04465	11.1
105.07050	34.8
107.08602	46.2
109.06511	21.3
109.10169	69.3
111.04454	19.4
111.11729	17.3
119.08591	37.6
121.10150	40.8
122.06848	6.1
123.08096	12.4
123.11698	30.2
125.05992	52.0
131.08568	7.9
133.10124	23.1
135.11691	26.7
137.05997	76.3
137.09569	9.8
137.13269	14.5
139.07510	10.1
141.05511	7.0
145.10101	17.6
147.08087	5.6
147.11697	29.5
149.13289	17.9
151.07544	22.8
151.11189	9.3
159.11732	11.4
161.09621	7.1
161.13234	16.5
163.11208	9.1
163.14873	8.5
165.09138	25.5
165.12794	11.0
167.10754	5.5
171.63197	5.6
173.13293	10.3
175.14848	18.9
177.16408	12.6
179.10661	18.8
181.12213	16.6
187.14847	9.9
189.16373	13.0
191.17888	10.6
193.12256	24.6
195.13811	12.1
197.11766	15.3
201.16325	8.8
203.17995	13.6
205.19548	6.4
207.13820	18.6
209.15286	6.9
215.17737	6.4
217.19383	7.1
221.15285	13.9
235.16963	17.4
237.18463	6.3
243.21124	10.1
249.18456	19.8
263.20090	22.5
265.21744	7.0
267.19534	13.4
269.22684	14.9
277.21533	17.7
281.21204	7.6
291.23230	15.9
305.24734	18.7
319.26282	21.1
333.27924	10.5
351.28848	7.5
361.50537	5.8
371.33517	5.7
389.34116	57.2
407.36276	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.96556	2.7
57.03434	1.2
57.07070	0.7
61.02913	2.4
67.05486	3.2
69.03418	1.0
69.07062	2.3
70.06575	1.2
71.05000	0.7
71.08642	0.8
71.54707	0.6
72.67715	0.7
73.02899	0.9
79.05482	1.9
81.03415	0.9
81.07077	3.2
82.95028	0.7
83.04994	0.6
83.08628	1.2
85.02899	2.3
91.03925	1.1
91.05480	1.9
93.07043	2.4
95.04962	1.1
95.08609	2.4
97.02880	0.9
97.06531	0.8
104.26169	0.6
105.07028	2.9
107.08593	1.7
109.10157	0.8
119.08595	1.4
121.06513	0.7
121.10126	0.9
131.08592	1.4
133.10181	1.0
145.10153	1.1
149.09686	0.8
157.10098	1.0
162.06612	0.6
184.07227	0.9
228.90077	1.0
229.07639	0.8
231.10834	1.0
256.26355	0.8
257.26736	1.3
259.08578	1.1
267.08759	1.6
269.10532	1.5
285.10175	2.9
300.28967	0.7
301.29398	1.9
309.16733	1.5
329.13992	0.7
333.19101	0.8
347.15210	1.4
348.15277	0.8
349.16818	1.5
365.16479	1.7
367.17844	1.0
407.24066	100.0
407.35431	8.2
408.24426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.7
67.05483	1.0
69.07056	1.1
69.73454	0.8
69.73853	1.4
79.05482	0.8
81.07056	1.1
91.03931	0.5
91.05486	0.6
93.07034	0.8
95.04998	0.6
95.08599	0.7
105.07003	0.7
107.08613	0.8
109.06508	0.4
109.10161	0.8
114.93550	0.4
119.08556	0.7
121.10116	0.7
133.10165	0.6
135.08160	0.4
135.11649	0.5
171.11694	0.4
177.12779	0.4
228.89948	0.4
243.08994	0.7
267.09082	0.5
285.10126	0.5
333.20361	0.5
360.34955	0.4
392.20563	0.4
407.24039	100.0
408.24316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79063	0.5
55.05493	0.9
56.96301	0.9
56.96565	13.3
67.05497	2.0
69.07065	1.2
70.94904	0.5
71.54607	0.8
71.95277	4.5
79.05500	2.3
81.07047	2.2
82.38410	0.5
85.06500	0.6
90.92809	0.4
91.05482	1.5
93.07041	4.2
95.08604	1.8
98.97584	92.3
105.07012	1.4
107.08590	1.8
115.04066	0.5
116.98620	60.5
119.08570	1.1
121.10143	1.4
131.08582	0.6
133.10146	0.8
134.99657	22.2
135.11641	0.8
139.59357	0.5
140.00194	11.0
145.10104	0.6
149.13281	0.5
153.00696	2.2
157.10112	0.6
158.01266	4.9
174.78316	0.5
176.02434	0.7
181.02856	1.5
209.13423	0.5
239.39458	0.5
295.12518	0.5
333.17386	0.9
389.19980	100.0
390.20361	2.2
407.21030	9.6
407.25790	0.9
407.33008	0.9
430.22620	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.96554	1.7
57.03442	0.7
57.07072	1.7
59.86990	0.6
61.02924	0.8
67.05505	1.6
69.03427	0.7
69.07057	2.1
70.04675	2.2
70.06603	3.6
79.05488	1.9
81.03410	1.6
81.07049	2.6
83.08630	1.0
84.08183	0.8
85.02895	1.5
86.09711	1.0
91.05493	1.5
93.07035	1.7
95.04992	0.6
95.08598	0.9
97.02901	1.0
98.21375	0.6
98.97596	0.5
105.07029	1.7
106.99886	0.5
107.08576	1.1
116.98623	0.6
119.08547	0.7
121.10096	1.0
131.08589	1.0
132.10167	0.9
133.10091	0.7
146.11740	0.7
147.11771	0.6
149.13248	0.6
157.10153	0.9
158.99591	0.6
177.96895	0.5
199.06429	0.7
217.07497	0.7
241.07512	1.5
255.08963	0.8
259.08640	1.3
267.09076	1.8
269.10443	0.7
284.62543	0.5
285.10175	2.8
300.29010	1.0
301.29346	6.4
303.11139	0.8
340.15543	0.7
345.31909	3.8
347.15189	0.7
348.15207	0.6
349.16589	1.4
367.17908	1.0
383.39554	0.6
407.24063	100.0
407.35538	20.5
408.24442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01876	1.5
55.05518	2.7
56.96553	1.0
57.03453	1.5
57.07081	10.5
61.02928	3.0
67.05499	7.0
69.03432	4.7
69.07069	6.2
71.04991	1.4
71.08636	1.6
71.54764	1.4
73.02919	1.1
73.18910	0.8
75.04478	3.9
79.05494	48.4
81.03397	2.5
81.07062	12.7
83.04969	3.5
83.08618	1.6
85.02905	17.7
86.09707	1.5
91.05465	10.0
93.07048	60.1
95.04991	3.2
95.08620	6.0
97.02898	5.8
97.06544	9.0
98.97600	1.5
101.30746	0.9
105.04536	1.5
105.07068	2.4
107.04956	2.6
107.08599	37.2
109.02898	1.0
109.06511	1.6
111.04430	1.5
117.07018	3.9
119.08598	1.9
120.08117	1.6
121.06544	1.7
121.10143	6.5
127.03929	3.1
131.08582	2.4
133.10127	15.1
135.08067	1.9
135.11699	100.0
139.07585	10.0
141.09158	1.6
145.04950	3.6
145.10208	0.9
149.13269	47.0
151.11177	5.5
153.09102	6.0
153.12758	11.9
159.11684	6.0
164.10835	1.2
167.14355	2.1
177.12752	45.8
180.08708	1.4
195.13774	8.1
209.15376	93.7
213.14893	2.7
227.16422	16.9
340.71634	1.1
358.11951	1.2
389.44354	1.0
394.50616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
53.27925	1.4
55.01868	3.5
55.05512	10.9
56.96551	2.7
63.74604	1.3
63.85087	1.3
66.81523	1.4
67.05505	5.8
69.03419	5.9
69.07059	5.7
70.06578	4.6
71.04982	2.4
71.54056	2.5
79.05479	6.6
81.03433	2.4
81.07062	9.7
83.04982	2.8
83.06109	2.6
83.08623	8.5
84.04522	7.0
84.08169	2.4
85.02924	9.4
85.06538	2.9
86.06053	2.8
86.09720	8.0
91.05476	6.3
91.76646	1.5
93.07047	14.5
95.04986	2.9
95.08597	7.8
97.02881	4.3
97.06522	2.2
98.97603	2.1
99.04476	1.5
102.09175	2.4
104.07111	5.1
105.07033	22.0
107.04916	2.0
107.08586	14.9
109.02889	2.5
109.06532	2.9
109.10143	3.3
111.04449	2.3
116.10744	2.1
116.98515	1.4
117.06978	3.5
119.08595	11.2
120.08117	9.5
121.06493	5.1
121.10150	8.5
123.08055	2.5
127.03931	4.0
129.06914	2.4
129.10277	2.1
130.05054	1.8
131.08578	34.6
132.10294	1.7
133.06491	3.4
133.10141	8.3
135.08031	5.3
135.11687	1.7
137.06004	2.0
143.08525	1.8
143.56142	1.4
144.09247	1.6
145.04970	1.9
145.10138	5.4
147.07991	1.9
147.10524	1.9
147.11694	34.4
148.09694	1.8
149.09627	5.0
149.13274	9.7
151.07545	3.3
151.11200	2.7
159.11766	1.7
161.09584	2.1
163.04047	1.6
163.11130	2.1
163.14880	2.8
167.07130	2.3
169.06639	1.4
173.13287	31.1
175.14783	2.6
176.11990	2.0
186.09129	2.2
191.14319	100.0
193.15837	1.8
209.15376	65.0
215.07031	3.6
227.16316	2.4
253.26215	1.6
266.02228	1.4
273.37756	1.5
303.05066	3.7
352.24841	4.7
356.09253	1.6
356.99881	1.6
370.25659	3.1
377.01785	9.6
388.14850	1.7
388.26697	3.9
395.02856	1.8
404.25372	1.5
406.16473	1.9
406.21338	3.2
407.16815	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01616	0.7
55.01875	2.3
55.05507	3.9
56.05040	6.5
57.03446	4.5
58.99590	9.3
61.01133	1.2
61.02910	1.0
63.31761	0.8
67.05502	2.2
68.05029	1.9
69.03434	5.3
69.07080	5.6
69.59171	2.8
69.59588	2.0
70.06258	0.9
70.06601	10.2
71.04986	2.5
72.08170	4.6
73.01144	1.8
74.00638	0.8
74.06072	1.3
74.09727	1.0
76.01836	1.5
76.02233	16.5
76.03990	2.2
79.05500	6.6
80.05032	1.0
81.03414	0.8
81.07071	18.3
82.06572	1.0
83.04964	1.6
83.06091	1.7
83.08602	1.9
84.04514	22.0
84.08139	2.2
85.01129	3.0
85.02917	4.1
85.06553	0.8
86.00659	4.0
86.02401	0.7
86.06059	2.0
86.09704	1.9
86.99067	4.9
87.02692	5.7
87.04442	0.8
88.02219	1.9
88.07642	9.0
88.41330	0.9
91.05490	4.2
92.38635	0.7
93.07047	5.5
94.06574	1.2
95.04980	1.6
95.08601	5.5
97.01123	0.9
97.02892	1.2
97.06534	3.3
97.51398	0.6
98.06078	0.9
98.09694	12.6
98.97585	1.6
99.05598	1.0
99.08112	4.0
102.05547	3.6
103.05458	1.0
104.07125	2.1
105.07039	7.3
107.04939	1.1
107.08594	6.4
109.10145	1.3
110.09668	3.0
111.08112	0.9
112.03986	3.6
113.04242	6.4
114.03767	0.8
114.05502	2.1
115.05795	1.7
115.30919	0.8
116.00414	0.8
116.01687	21.7
117.07015	1.8
119.08584	10.4
120.08110	1.0
121.02884	1.2
121.06499	1.6
121.10148	5.3
122.09691	1.5
123.08084	1.8
127.03915	1.2
129.06645	2.8
130.04996	6.6
130.06908	3.6
130.07724	0.8
130.08647	1.6
131.08580	16.3
133.10155	8.4
135.08072	1.6
135.11668	1.4
137.09612	1.0
139.05772	1.9
142.03247	2.0
143.02702	1.0
143.08554	2.2
144.01167	6.8
145.05020	1.1
145.06058	1.8
145.10107	5.6
147.04430	1.4
147.11726	2.3
149.09641	4.7
149.13199	0.9
156.08429	17.4
156.10194	12.8
157.06841	9.5
158.10873	2.7
162.02214	15.7
163.11182	1.8
163.14864	1.3
168.06450	1.0
173.09615	0.9
173.13275	14.7
174.09502	11.9
175.14838	19.3
179.04857	6.3
188.03761	1.0
189.03282	1.6
191.10709	3.7
191.14337	14.5
209.11775	18.0
209.15457	1.4
210.11302	2.0
215.04886	1.2
216.06914	4.8
228.06366	1.2
233.05911	1.1
242.08371	0.8
259.11139	100.0
260.11569	1.3
269.10501	0.9
285.12677	1.5
308.09048	1.1
313.12091	2.9
331.13300	6.4
352.24756	2.4
370.25992	2.6
388.15344	2.1
388.22806	1.7
388.27219	1.1
406.11349	1.5
406.16037	5.0
406.28159	1.1
427.16510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10364	0.9
55.05514	3.5
57.03430	2.6
58.06597	3.3
59.05009	0.9
61.02922	0.9
65.03952	1.1
67.05507	9.4
68.05025	9.9
69.03424	2.6
69.07080	4.6
69.22072	6.7
70.06602	6.4
71.04976	2.2
72.08144	0.9
79.05495	7.3
81.03417	2.0
81.07058	10.6
83.04978	2.1
83.08618	2.1
84.04517	1.2
84.08190	1.0
85.02910	5.6
85.06551	1.7
86.02424	2.7
86.06080	8.9
86.09702	1.4
88.07632	11.8
91.05489	6.6
93.07046	9.4
95.04971	1.4
95.08620	8.3
97.02901	1.8
97.06528	2.1
97.10217	0.9
98.20783	1.5
102.05537	0.9
104.07111	100.0
105.07027	9.7
107.08604	17.9
109.06510	1.8
109.10157	6.5
111.08109	1.2
111.09487	0.8
114.05538	0.9
114.93723	0.8
117.07032	2.1
119.08591	10.0
120.09015	0.7
121.10145	12.7
123.08082	2.0
123.10667	0.7
123.11697	2.5
125.09629	0.9
127.03918	1.3
129.06999	1.5
130.05000	8.7
131.08568	7.6
133.10138	18.3
135.08043	1.6
135.11685	5.5
137.06017	0.8
137.09631	2.2
143.08562	1.1
145.04988	1.3
145.10139	5.0
147.11702	11.6
149.09604	1.8
149.13255	5.8
153.05208	0.8
153.09183	1.0
157.10255	0.9
158.10927	2.7
159.11592	0.9
161.13237	1.3
163.14809	5.0
171.11746	1.4
172.09637	0.9
173.13275	32.9
175.14838	26.5
175.16299	1.5
177.85147	0.7
189.16348	1.5
191.10751	1.0
191.14308	12.3
200.12885	1.5
203.17899	1.1
209.11806	1.0
209.15422	3.4
214.14421	1.7
216.12347	1.1
231.17442	1.4
243.04399	0.7
282.20499	1.7
303.05072	0.8
312.21719	2.1
334.23694	6.3
352.24823	25.3
370.25919	34.4
388.26926	12.1
406.27994	17.1
427.76001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58567	2.8
53.03957	7.0
54.49932	2.8
55.01863	7.8
57.03427	7.5
57.22934	2.5
61.02922	4.7
67.05505	9.4
68.99799	4.1
69.03440	42.0
69.07061	6.5
71.04977	9.5
73.02906	9.0
79.05485	7.1
81.03422	26.1
81.07066	13.0
83.04980	4.6
85.02917	100.0
85.06564	3.5
87.00832	40.2
91.03952	3.8
91.05472	3.7
93.07039	7.7
95.08569	4.8
97.02888	28.6
97.06538	9.5
98.97609	3.5
99.04454	16.1
105.01876	66.9
105.07030	7.0
107.08580	3.3
108.04443	3.1
109.02897	30.5
109.10105	2.9
110.97590	3.6
111.04445	3.2
115.03904	3.7
119.08585	4.5
123.11700	5.8
127.03934	73.1
129.01880	6.2
131.08508	3.5
133.10124	4.6
145.03946	3.7
145.04990	49.0
147.02988	3.0
147.11678	3.2
149.13176	3.1
151.07466	3.3
151.11256	3.7
159.02914	17.4
163.03845	3.3
177.05544	3.2
213.03845	6.1
231.05066	25.4
231.13863	4.8
234.11113	2.8
248.07500	3.1
249.06053	6.5
249.15079	3.4
335.14996	6.7
406.29614	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42900	3.7
55.05493	6.0
56.29735	3.5
57.03449	5.6
57.07089	4.1
65.03954	4.5
66.83804	4.0
67.05506	10.6
68.05038	5.5
69.03421	14.5
69.07069	13.1
70.06586	11.8
70.33474	9.4
70.33829	7.0
71.04993	9.2
72.08141	3.8
79.05506	11.0
81.03422	10.0
81.07051	39.9
81.86115	3.2
83.04970	6.4
83.08628	6.7
84.08150	5.5
85.02907	25.6
85.06532	8.2
86.09702	7.3
91.05478	19.4
93.07060	23.3
95.04984	47.9
95.08649	19.1
95.60291	3.5
97.02876	4.5
97.06565	22.8
98.97552	4.3
99.04456	15.6
104.07115	35.0
105.07019	17.0
107.08572	18.7
109.06528	50.1
109.10158	7.1
111.08092	6.5
113.09618	4.6
119.04923	10.8
119.08551	11.9
121.06590	4.9
121.10143	18.9
122.06003	4.8
123.08067	8.8
123.11745	3.8
125.09589	4.3
131.08539	12.0
133.06557	5.0
133.10130	33.4
135.08049	6.5
137.06009	42.0
139.11163	4.8
145.06361	3.7
147.11691	33.1
149.15248	3.9
151.11192	3.9
153.09091	30.7
159.06512	5.0
163.14867	8.3
165.05505	14.1
165.12727	4.6
173.13261	11.0
191.14311	32.2
202.15906	4.6
209.15367	100.0
215.13963	4.5
226.13434	4.4
227.16432	91.1
252.19699	6.8
327.10742	8.1
352.24792	16.4
357.10825	4.9
370.25735	6.4
379.03140	3.9
388.26950	8.8
406.27631	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	406.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00168	0.9
53.03936	1.2
55.01865	2.9
55.05506	2.7
56.05045	6.3
57.03447	5.5
58.99587	8.5
61.01146	1.1
67.05497	4.4
68.05025	2.4
69.03396	1.1
69.07072	3.9
69.55227	5.9
70.02917	1.0
70.06595	8.9
70.31170	0.8
71.05010	4.5
73.01145	1.1
74.00651	1.3
76.02232	18.7
76.04009	1.8
79.05491	11.5
81.03430	1.2
81.07063	21.5
83.04965	1.7
84.04510	24.2
85.01120	3.0
85.02902	3.3
85.06535	5.6
86.00647	3.9
86.02424	1.4
86.06091	2.1
86.09708	1.2
86.99074	4.5
87.02706	6.5
87.04472	1.7
88.02218	2.7
88.07632	24.7
91.05492	5.5
93.07050	7.9
95.04944	1.5
95.08594	6.4
97.01093	1.0
97.02886	1.1
97.06547	2.8
98.09716	8.9
98.21541	1.8
99.08134	5.1
100.02234	0.9
102.05560	5.2
104.07117	13.4
105.00124	1.0
105.07046	7.4
107.04938	2.3
107.08603	9.9
110.09641	1.4
111.04400	1.2
111.08042	1.1
112.03963	3.1
113.04234	4.5
114.05536	2.3
115.05808	1.6
116.01683	21.5
117.07011	1.5
119.08560	4.0
121.02854	1.4
121.06527	5.3
121.10191	5.2
122.09666	1.4
123.08073	2.2
125.05999	1.4
127.05807	1.0
129.06628	3.0
130.05020	7.8
130.06891	4.5
130.08630	1.6
131.08574	29.8
133.10135	1.8
135.11700	1.9
139.05754	1.6
142.03265	2.2
143.02800	1.1
144.01141	8.7
145.10124	9.1
147.11707	1.4
149.09633	14.2
153.05380	1.6
156.08430	19.1
156.10204	11.4
157.06786	7.5
162.02220	21.5
163.11198	4.6
167.10709	2.4
173.09639	2.2
174.09479	11.2
179.04877	9.2
191.10658	12.1
209.11745	55.6
210.11316	2.0
216.06947	5.5
227.12785	11.2
233.05847	3.0
242.08411	1.1
259.11136	100.0
260.09360	2.4
260.11826	1.3
277.12125	1.5
285.12708	2.0
313.12170	6.0
331.13330	5.9
334.23798	3.4
352.24768	7.7
370.25946	10.1
388.15482	2.7
388.27167	4.7
406.16583	5.5
406.27954	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	406.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.96564	45.2
67.05489	2.5
69.07073	1.0
69.31382	8.3
71.75287	0.9
71.95267	4.6
72.96030	1.5
74.97626	1.5
79.05494	1.8
81.07035	1.7
83.04955	1.3
84.96005	1.9
84.99684	0.9
87.05601	0.8
91.05476	1.5
93.07033	1.3
95.04914	1.0
95.08602	1.2
97.06494	1.2
98.97558	4.0
103.00669	1.1
105.00122	1.4
105.07024	1.2
107.08628	1.0
109.06493	1.1
109.10139	1.0
110.97548	5.0
115.00668	4.0
115.97766	0.9
116.76691	1.0
116.98616	1.3
127.00672	1.5
128.98584	4.2
129.02217	1.3
131.00159	1.3
131.08592	0.9
133.01717	1.2
137.02695	1.5
139.00690	2.2
141.02220	2.1
143.00186	1.5
146.99670	2.1
147.03250	1.0
151.04277	1.4
153.02232	2.4
155.03812	2.4
157.01781	2.0
159.03209	1.4
167.03920	1.9
169.01733	1.9
169.05411	1.4
171.03265	8.3
173.04878	1.8
175.02748	2.2
179.03845	2.2
181.05437	4.8
183.03284	3.7
185.04880	5.3
188.74405	0.9
189.04338	5.9
195.06903	2.3
197.04799	3.3
199.04515	1.4
199.06412	20.8
201.04395	2.1
203.05843	4.5
205.05444	1.1
207.03340	1.2
209.04897	2.5
211.06398	2.9
213.04413	1.4
213.07942	7.1
215.05902	2.7
216.74565	1.1
217.05394	1.7
217.07458	19.7
218.62691	1.0
221.04832	1.2
222.08055	1.0
223.06432	10.1
225.08009	2.2
227.05844	3.0
229.07448	9.4
231.09003	7.6
235.06377	3.4
237.07938	3.0
241.07463	35.9
243.09062	3.6
247.08481	4.1
249.08054	1.2
251.09546	3.2
253.07474	11.9
255.09042	11.0
259.08554	54.7
261.10138	1.2
261.63022	1.1
264.09021	2.5
267.09012	3.2
269.10483	5.9
271.08603	6.3
273.10022	5.1
277.09448	5.5
278.08060	1.9
278.10794	1.7
281.49176	1.1
282.10025	4.6
285.10098	1.5
287.11813	1.5
295.12021	1.5
296.09296	1.0
297.10101	1.4
310.07178	1.4
311.12946	1.1
312.16290	1.0
321.17191	1.7
329.14212	16.7
337.16840	1.2
347.15305	87.0
365.16357	100.0
366.16620	1.4
370.16956	3.0
383.17422	66.2
388.17999	9.9
401.18311	2.7
406.18924	12.8
406.23944	2.0
406.29770	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	405.2248
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
56.96558	0.8
67.05501	1.0
69.07067	0.6
71.24495	1.0
79.05498	1.1
81.07079	0.7
83.08617	0.7
98.97601	4.1
99.97882	0.7
105.06989	0.6
116.98621	1.6
119.08596	0.7
131.08542	0.6
135.45683	0.5
137.05984	1.6
138.06270	0.8
231.08411	0.5
235.02863	1.4
236.03194	1.3
253.03877	1.3
254.04199	1.2
285.10013	1.0
345.16098	0.5
367.00186	0.5
405.18234	3.7
405.22501	100.0
406.22726	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	405.2251
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
53.03950	0.7
55.01870	0.7
55.05506	1.3
56.96560	2.3
57.03419	1.5
61.02925	1.6
67.05515	3.2
69.03432	0.8
69.07073	2.5
69.27734	0.5
69.64942	2.9
69.65350	1.1
71.04994	0.5
73.02930	1.1
79.05496	2.8
80.99161	0.6
81.03432	1.0
81.07066	4.8
83.04978	0.8
85.02899	1.2
91.03976	0.9
91.05479	2.3
93.07053	2.6
95.04968	1.3
95.08614	2.0
97.02882	1.6
97.06518	0.7
97.10202	0.6
98.97602	0.9
105.07053	2.6
107.08599	1.2
109.06503	0.9
109.10090	0.8
110.97615	0.6
117.07042	0.6
119.08569	1.2
121.10155	1.3
123.08090	0.8
127.03936	0.7
131.08543	0.9
133.10106	0.9
135.08076	0.8
135.11699	0.7
143.08527	0.7
145.10141	1.2
147.11691	1.0
158.71629	0.5
171.03246	0.5
171.11781	0.8
173.04900	0.6
199.06477	0.9
203.05910	0.7
207.13797	0.8
217.07487	0.5
229.07561	1.5
247.08580	0.6
269.10648	1.2
281.10654	2.5
281.17426	1.8
283.08667	0.6
285.10083	0.8
287.11923	0.7
293.13275	0.7
299.11700	1.7
331.15872	0.9
349.16971	1.4
349.23569	0.6
367.18015	5.5
368.18619	0.7
405.22510	100.0
406.22836	1.7
408.20505	0.8
416.11536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96655	0.7
55.01868	2.8
69.03394	1.3
69.25688	5.8
69.26113	2.3
73.71397	0.8
83.04992	1.0
85.02901	2.0
91.05495	1.4
95.08586	1.0
98.97591	1.0
99.03831	0.8
99.04469	1.4
101.39093	0.9
105.07044	1.2
108.08131	1.5
119.08569	0.9
119.92165	0.7
133.10188	1.0
137.61909	0.8
161.10648	1.0
168.06769	0.9
181.04932	0.9
183.09169	1.9
183.59666	0.8
184.07646	1.1
189.10353	1.0
197.07072	8.2
198.09271	1.9
199.08734	3.0
202.08678	1.0
207.09235	1.2
210.07825	1.6
211.08681	12.6
212.09322	2.3
213.10191	1.7
223.08574	1.2
224.09361	0.9
225.06586	14.1
225.10144	10.2
226.07138	1.5
227.08147	3.1
227.11784	2.9
228.10268	1.9
229.09785	1.6
235.08669	1.4
237.10356	1.0
238.07375	1.3
239.04475	3.4
239.08163	31.1
240.08855	3.2
241.09761	2.0
243.07671	3.2
245.12877	32.2
253.06082	1.6
253.09729	21.2
254.10429	1.1
255.07758	3.3
255.11375	3.5
257.05466	2.0
257.09238	9.2
263.08087	1.6
265.09714	1.1
266.06580	1.0
267.07678	14.9
268.08456	1.0
269.09402	1.2
271.07489	1.4
271.10767	12.0
273.08774	2.2
273.12210	1.8
275.10339	1.2
281.05908	1.1
281.09207	19.1
283.10876	2.8
285.08752	4.1
289.11877	7.4
293.09213	1.5
297.08664	1.1
299.06851	1.9
299.10269	30.4
301.11859	1.4
309.08722	30.0
311.10394	3.8
313.08151	1.2
317.11249	2.9
327.09778	59.2
328.09998	1.0
329.11435	6.4
331.09042	1.2
337.08228	3.1
345.10837	100.0
346.11292	1.3
355.09372	7.7
373.10327	75.6
387.11655	4.7
394.47729	0.9
405.12897	26.1
405.17560	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00090	24.8
56.96556	72.7
65.99134	24.5
67.05492	68.7
69.07079	35.2
70.21894	23.5
79.05498	49.8
81.07056	83.8
85.02931	30.1
91.05452	28.3
93.07037	40.7
97.02899	24.7
105.06985	24.0
107.08539	30.0
109.10129	29.5
123.40636	23.0
133.10133	24.9
136.93091	32.7
141.04233	21.5
154.94173	68.3
159.48956	22.8
172.95270	87.9
190.96387	31.2
228.97862	27.9
275.20053	100.0
317.17862	49.0
339.25497	23.5
349.16876	50.9
388.14810	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01919	2.2
69.45956	5.9
70.06622	1.0
78.53399	0.7
79.44060	0.6
81.03454	0.7
82.06613	0.7
83.05032	1.2
85.02969	1.5
85.64968	0.8
98.20728	0.8
108.08157	1.4
120.08062	0.7
121.10174	1.0
123.08142	2.3
124.08460	1.2
132.08182	1.0
139.11226	1.3
157.12254	0.8
157.46416	0.8
159.09122	0.8
167.07133	2.2
182.09804	1.1
183.09270	2.1
184.07588	1.5
189.10327	1.9
197.07095	11.9
197.08705	0.7
197.10881	1.0
198.07816	1.7
198.09392	1.0
199.08772	2.2
210.07806	1.6
211.05309	0.9
211.08667	11.8
212.09563	2.1
213.10355	2.5
215.08421	0.8
216.10307	0.9
218.61928	0.7
223.08615	1.0
225.06609	20.5
225.10161	9.2
226.07201	1.3
227.08263	2.8
227.11899	2.4
228.10281	1.1
229.09732	1.5
235.08791	1.0
239.04523	5.7
239.08153	34.5
240.08742	3.4
241.09807	2.3
243.07758	2.7
245.12854	22.4
253.06361	2.2
253.09720	18.8
253.12228	1.1
254.07147	1.0
254.10490	1.0
255.07671	3.5
255.11392	3.0
257.05759	2.5
257.09280	7.8
263.08347	1.2
265.09552	1.1
267.04791	1.1
267.07635	19.1
267.10254	1.2
268.08411	1.8
269.09225	2.7
271.07523	1.4
271.10764	9.4
273.08801	2.5
273.12119	1.1
274.11853	0.9
281.05835	1.9
281.09210	20.3
283.10828	3.0
285.08698	4.4
286.09262	0.9
289.11838	5.3
293.09305	3.2
295.07211	1.2
297.08768	2.3
299.06839	2.9
299.10251	30.8
301.11942	1.1
309.08704	30.0
311.10342	5.3
317.11304	3.1
327.05710	1.6
327.06638	1.0
327.09744	60.0
329.11417	8.2
337.08173	4.3
345.10818	85.1
346.11200	2.5
355.09256	8.8
359.12344	0.8
369.10623	0.8
373.10306	100.0
374.10638	2.0
377.13388	1.3
387.11554	5.8
405.12909	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.5
54.11620	9.9
54.81620	10.7
55.04456	10.3
55.05507	38.5
55.27337	9.4
56.96575	25.3
57.03447	26.5
60.34922	10.8
61.02951	13.2
67.05506	91.6
69.03449	15.6
69.07069	32.4
70.06582	17.3
71.08626	33.5
71.39174	10.9
79.05507	64.5
81.07061	71.1
83.05007	15.6
83.08627	30.4
91.05483	53.4
93.07057	71.0
95.04980	19.7
95.08608	33.9
97.06523	23.0
97.10159	14.6
99.08083	21.1
105.07050	29.6
107.08591	44.1
109.06493	14.5
109.10168	37.2
111.08095	16.2
119.08599	20.7
121.10220	14.6
125.09628	20.2
131.08603	17.9
133.10121	33.1
135.11702	26.7
149.02380	16.8
149.13254	23.0
151.11206	22.9
153.08954	11.0
159.11684	17.6
173.11763	28.8
177.12790	31.9
179.14264	17.8
195.13879	13.8
216.03825	13.7
227.12715	20.6
229.14386	47.7
259.20569	13.6
269.17465	100.0
277.21576	25.9
351.25229	41.9
354.14224	23.6
363.14743	15.9
386.16653	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	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01852	5.4
55.05521	22.0
57.03441	22.5
57.07063	4.4
67.05509	62.0
68.10143	4.1
69.07056	16.0
69.34820	17.9
69.35223	8.1
69.87258	3.7
71.08630	25.1
73.79566	3.3
79.05497	41.8
81.03439	4.3
81.06606	3.8
81.07067	66.0
83.04966	14.6
83.08614	16.2
85.02870	4.0
85.06578	4.1
91.05476	29.8
93.06494	4.9
93.07044	59.3
94.07463	3.7
95.04951	9.4
95.08615	25.8
97.06519	13.8
97.10149	10.5
98.20795	8.6
99.08099	22.0
103.28353	4.1
105.07040	17.2
107.08607	28.7
109.06510	6.4
109.10152	9.1
117.06999	9.3
119.08575	10.6
121.10156	15.2
125.09618	9.8
131.08588	9.6
133.10094	17.0
135.11676	14.1
139.11200	4.2
145.10104	6.6
147.11688	3.9
149.13254	16.1
151.11200	17.1
157.10120	4.6
159.11708	16.9
161.13257	13.5
161.83395	3.3
163.11206	9.4
171.11653	3.6
173.11748	9.1
177.12740	17.8
179.14250	9.8
189.11211	6.0
195.13846	10.6
199.67192	3.6
227.12753	7.3
241.19458	8.2
255.60028	4.0
259.20633	10.4
269.17484	100.0
277.21637	19.9
294.89307	3.7
351.25259	36.0
369.26727	3.9
404.24759	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	404.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01875	1.3
55.05502	3.1
56.25438	0.9
56.96563	1.4
57.03433	3.7
58.99369	0.8
61.02911	3.0
62.13402	0.9
67.05489	3.6
69.03442	11.9
69.07080	1.0
71.55016	1.4
72.35441	0.9
79.05489	4.3
80.70956	1.0
81.03403	3.2
81.07064	1.8
83.04979	4.2
85.02901	5.2
85.05504	0.9
87.04457	1.2
91.03951	1.1
91.05476	4.9
92.36445	1.0
93.07049	19.1
94.34838	0.9
95.04949	1.0
95.08598	2.2
97.06561	1.2
97.10150	1.0
99.04462	1.8
103.05477	0.9
105.07040	100.0
107.08606	1.2
109.10188	2.2
111.04440	2.9
119.04934	3.0
121.06516	39.1
129.05489	4.3
129.06912	1.3
147.06505	5.8
175.26859	1.0
219.10413	1.1
267.12329	4.3
351.25119	1.7
368.23050	1.1
373.13806	1.5
386.24283	1.2
387.17902	3.0
404.20871	1.9
404.25452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.6
56.05038	3.2
56.93460	2.1
56.96554	6.5
57.03421	4.3
58.06591	1.9
61.02916	1.6
65.03937	2.4
67.04263	15.1
67.05489	7.7
68.05022	2.2
69.03417	6.8
69.07076	17.2
69.64547	3.2
69.64959	7.2
70.06595	22.2
71.06909	2.5
71.92565	1.6
72.08155	34.7
73.08477	7.2
74.06075	2.2
79.05494	2.8
80.05006	8.3
81.03401	5.4
81.05746	2.0
81.07055	2.5
82.06584	91.1
82.07082	4.4
83.04974	3.1
84.04484	5.0
84.08142	23.4
85.02906	15.0
85.04055	1.7
85.04843	1.8
86.06055	7.3
86.09710	100.0
86.74284	1.8
87.00816	5.0
87.10022	7.1
88.03979	2.5
91.05469	3.9
93.07020	5.2
95.04908	3.8
95.08597	3.3
96.08130	2.0
96.39692	1.7
97.02871	8.1
97.06541	2.0
98.06000	1.8
98.97589	38.6
99.04454	2.5
100.07622	71.3
101.07128	1.9
102.05506	2.3
103.03931	2.2
104.07119	9.8
105.01863	5.0
105.07021	3.9
107.04955	4.8
107.08607	3.5
109.02886	4.9
109.06487	2.6
110.06045	7.5
110.97575	3.6
111.06820	4.3
112.07585	6.1
115.98856	1.6
116.07072	3.8
116.98631	13.5
117.01765	1.7
119.04974	2.6
119.08575	2.7
120.08115	3.9
121.06532	8.8
121.10138	2.0
122.06027	2.0
123.04447	3.9
127.03918	13.3
127.04935	3.5
128.98602	3.2
129.06958	2.2
129.10233	5.3
131.08603	2.6
132.10190	2.8
133.06485	2.5
133.10207	3.4
134.99684	3.9
136.07584	15.7
138.09132	2.4
142.07710	1.6
143.00156	2.1
143.08484	2.1
145.04938	4.3
146.06151	1.6
147.04454	3.5
150.12776	5.4
152.14368	2.2
157.06497	4.5
157.09801	2.0
158.13640	1.8
158.99680	7.7
159.07973	2.0
161.09642	2.5
162.05504	6.4
163.03908	2.9
164.04848	1.7
165.05481	7.5
170.99643	2.6
171.08093	2.0
172.08864	12.9
173.09645	6.8
174.09119	1.6
177.00731	5.1
178.12256	6.0
182.08102	7.7
183.08154	3.6
185.09616	6.5
187.07489	1.9
191.05913	2.6
195.14929	20.1
200.10713	9.7
201.00670	2.2
201.04419	2.9
201.09058	2.3
202.12439	4.1
207.06613	4.6
207.08476	1.8
207.10268	3.9
211.07567	2.9
219.01645	11.0
223.14435	14.0
225.07425	2.1
227.11497	2.2
228.10117	3.7
229.08620	6.3
237.02718	10.1
243.05475	2.6
246.11263	40.3
247.12996	2.1
248.13202	3.0
261.06442	3.9
263.13950	33.5
268.17044	2.2
272.12308	2.1
273.12616	4.2
295.16394	5.3
303.07645	2.6
313.18991	3.0
317.09024	3.3
335.10156	7.9
350.23224	1.8
359.19656	26.7
363.09656	17.6
368.24332	3.6
376.22369	11.2
381.10760	22.4
386.21143	3.4
386.25262	3.1
387.19150	19.5
404.16412	5.3
404.21799	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83571	0.6
55.90768	0.5
56.96564	11.7
71.53434	0.6
71.95273	2.8
72.63294	0.6
72.70119	0.5
94.04186	1.6
96.08187	0.6
96.98331	0.8
98.97587	100.0
105.90432	0.6
108.81641	0.5
116.98626	46.0
122.03654	4.4
134.99658	13.2
137.05980	43.4
140.00201	7.0
153.00728	1.1
158.01295	2.6
160.99092	1.2
179.00226	2.1
180.31697	0.6
193.01753	1.1
197.01270	1.8
198.02058	0.8
207.87283	0.5
208.10130	0.7
211.02841	0.6
215.65222	0.6
220.00449	3.5
224.09734	1.7
226.11157	17.7
227.78302	0.7
235.02789	64.9
236.03062	0.6
238.01425	1.5
241.03838	1.0
242.10503	0.7
244.12218	5.9
245.81755	0.6
249.12740	1.0
253.03844	75.4
267.13992	1.5
268.12088	3.1
271.04944	2.7
276.05475	13.1
280.12131	1.6
329.13055	1.2
341.03384	0.6
344.15320	7.2
362.16385	1.4
371.80856	0.6
404.17462	87.3
405.17792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08655	1.6
52.88879	1.4
53.03931	5.4
55.01881	8.3
55.05496	3.0
55.11370	1.7
55.21600	1.5
57.03421	6.8
57.37274	1.4
61.02913	6.0
61.21443	1.5
67.05484	6.3
68.05013	7.5
68.99795	3.0
69.03432	41.8
69.03801	1.6
69.07038	4.0
69.50816	11.2
70.06582	4.0
71.04987	8.5
72.08145	2.1
73.02906	6.7
76.88547	1.5
79.05481	3.8
81.03422	32.0
81.07036	7.2
83.04974	2.5
84.04498	1.6
84.08123	3.3
85.02904	100.0
86.06046	4.8
86.09683	4.8
87.00317	2.7
87.00829	45.7
87.04481	3.0
91.05453	6.2
93.07035	7.2
95.04936	4.1
95.08591	4.8
97.02894	33.2
98.21580	1.6
98.97568	3.6
99.04450	13.9
103.03960	2.4
103.05462	4.1
104.06443	3.3
104.07107	55.8
105.01868	70.9
105.02579	3.8
105.07015	4.2
107.08578	3.9
109.02882	30.0
109.06499	1.8
116.98666	1.6
117.01830	1.7
117.07010	4.4
119.08542	3.9
120.08080	2.1
121.05681	2.3
121.06506	46.1
121.10120	1.8
123.08086	2.1
127.03918	67.8
129.01813	4.9
130.04974	4.0
131.08554	3.6
133.06458	5.3
133.10161	2.6
137.05904	1.8
137.09564	2.7
139.11165	1.7
145.04953	26.9
145.06445	11.3
145.10080	1.7
145.99876	1.8
147.02905	2.2
147.04330	2.2
147.11554	3.1
151.07561	1.8
159.02882	16.0
159.08005	3.4
161.13335	1.9
163.07553	19.3
171.02957	2.2
172.21645	1.6
183.08090	1.8
187.07532	19.3
189.03925	7.4
189.12706	2.2
201.09030	2.7
205.08595	13.0
207.13806	3.9
211.07526	5.3
216.12299	4.6
229.08583	30.7
231.05023	19.6
242.08241	2.1
247.09634	7.0
249.06017	4.7
280.07996	1.8
315.08557	4.1
333.09686	8.8
350.23050	8.5
351.10669	5.4
368.24332	25.2
386.25497	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	403.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58214	9.4
51.85707	9.9
52.54564	7.6
55.05511	41.5
57.07071	17.2
67.05513	52.0
69.03442	53.5
69.07088	44.5
69.42258	23.7
69.42683	46.2
71.04974	8.2
79.05481	40.4
80.66938	7.7
81.03389	9.7
81.07072	54.3
83.08610	33.3
85.02904	19.7
91.05453	34.8
93.07042	31.0
95.08630	43.5
97.02885	20.2
97.06509	11.1
97.10152	16.4
105.07007	40.4
107.08594	20.7
109.10152	30.7
111.08098	11.0
112.01189	7.7
117.06983	17.9
119.08569	33.9
121.10085	21.1
123.11706	20.4
125.09625	10.5
126.48125	8.0
127.03899	43.9
129.01825	16.9
131.08513	17.8
133.10069	10.6
135.11684	26.4
145.10091	19.5
149.02354	9.0
149.13300	18.2
159.11731	9.9
174.68004	9.7
185.08060	10.3
205.19548	14.3
223.20584	59.8
308.23416	8.6
335.23785	14.1
341.36038	18.0
353.24509	12.1
371.25787	16.8
385.26367	13.9
403.28586	100.0
403.39764	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	403.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54388	1.9
54.91420	2.0
55.05502	6.5
57.07072	8.0
59.29731	2.0
61.02925	5.5
67.05496	8.8
68.99799	13.2
69.03420	12.8
69.07070	8.6
69.72633	10.1
81.03404	2.3
81.07062	13.0
83.08622	6.5
85.02908	4.6
86.03770	2.2
91.05467	2.3
92.71671	2.4
93.07042	7.9
95.08640	4.6
97.02887	5.0
98.21491	4.1
107.08607	5.1
109.10158	3.6
111.00822	12.5
119.08573	3.8
121.10191	5.4
123.11697	4.3
127.03925	9.1
129.01842	100.0
131.29126	2.2
135.11691	6.8
139.00276	23.5
157.01337	36.2
185.08113	45.5
205.19585	5.6
213.07651	6.0
217.03488	10.7
223.20580	17.1
259.15353	12.2
272.08057	2.4
273.09531	2.7
294.24762	2.4
385.25681	3.1
403.28299	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	403.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	50.5
57.07073	43.9
67.05524	46.1
69.03423	93.5
69.07062	82.9
71.53776	37.9
73.51632	20.9
81.07054	81.3
83.08612	58.4
85.02927	42.5
93.07027	60.7
95.08609	63.9
96.78828	22.0
97.02898	31.2
97.10177	36.1
107.08618	30.3
109.10143	45.2
119.08575	40.8
121.10139	64.4
123.11691	23.3
123.56136	20.7
125.09674	23.6
127.03910	39.2
129.01889	28.2
129.05481	21.0
131.08546	23.3
133.10126	19.7
135.08014	26.3
145.10164	23.5
205.19534	39.4
223.20638	100.0
319.96603	26.6
341.35922	27.9
385.25711	22.0
403.28555	46.8
403.39487	31.4
407.79828	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	403.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	41.1
57.07060	31.9
61.02915	10.8
67.05499	42.7
69.03426	76.7
69.07065	52.4
75.37577	10.9
79.05479	20.7
81.07064	74.3
83.08603	45.5
85.02888	30.5
85.05854	10.2
93.07056	41.1
95.04996	12.1
95.08604	56.8
97.02870	24.8
97.06563	13.4
97.10165	33.3
105.07053	15.3
107.08620	26.6
109.10155	41.9
111.00778	13.4
118.65825	12.4
119.08564	11.5
121.10121	40.9
123.11721	23.2
127.03904	46.9
129.01871	100.0
135.11743	29.3
139.00302	19.7
145.04953	21.5
145.10103	15.0
147.75507	12.4
149.13324	13.2
157.01349	33.6
175.27277	11.0
185.08069	40.6
205.19537	38.7
217.03490	13.3
223.20506	90.5
259.15430	17.3
283.28244	14.2
349.50089	11.9
371.25253	15.9
379.72794	12.6
385.26315	24.6
403.39951	25.6
421.06323	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	403.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01872	0.7
55.05513	8.7
56.05032	0.9
56.26293	0.3
56.96566	1.0
57.03448	0.6
57.05811	0.7
65.44464	0.4
67.05497	1.2
68.05046	0.6
69.03439	1.5
69.07077	0.6
70.00957	1.7
70.06595	3.1
71.04996	0.5
72.08160	100.0
73.02935	0.5
79.05515	1.3
81.03452	0.5
81.07059	1.4
83.04991	0.6
83.06112	0.4
84.04512	1.7
84.08159	1.8
85.02916	2.5
86.06104	0.4
86.09712	43.8
87.04517	0.5
88.03988	0.5
91.05502	1.4
93.07064	1.5
95.04979	0.9
95.08586	0.9
97.02906	1.4
97.06522	0.7
98.97600	1.8
99.04447	0.7
101.07096	0.4
102.05547	0.4
104.07124	0.8
105.07049	1.1
107.04911	0.4
107.08607	1.4
108.08138	0.9
109.02917	0.6
109.06522	0.5
109.10151	0.5
110.07159	0.5
110.97543	0.4
116.07125	0.9
116.98651	1.0
119.08613	0.9
120.08107	0.5
121.06510	1.0
121.10187	0.9
123.08063	0.6
127.03929	1.4
129.01849	0.8
129.10263	1.0
131.08598	0.6
133.10202	0.5
134.04533	1.1
135.08141	0.8
137.05988	0.7
137.09673	0.6
141.10359	0.5
143.11804	28.2
145.05011	0.5
148.03992	0.8
149.04768	1.1
150.09178	1.2
158.99686	0.9
159.11646	0.4
171.11301	17.5
173.13324	0.5
175.10767	0.7
177.05618	0.4
180.06557	0.6
185.16615	0.4
197.16617	0.4
201.12454	1.6
205.12196	0.5
211.13376	0.5
213.16016	0.7
219.01807	0.9
223.09192	0.4
223.13380	1.2
223.59299	0.6
225.15981	5.1
225.36307	0.4
228.06572	0.8
229.12012	0.8
233.11333	27.3
236.56081	0.7
237.02887	0.6
239.05585	0.6
240.05850	0.6
241.14577	1.3
255.11444	0.5
270.18112	9.1
270.20932	0.5
307.90994	0.4
359.12964	0.7
359.82385	0.4
385.24432	0.6
403.15900	3.4
403.20154	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	403.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	18.1
64.44234	18.2
67.05502	64.5
69.03413	52.3
69.07053	44.8
69.09950	17.3
69.77819	100.0
81.07045	75.1
83.08593	29.0
83.96251	22.0
84.63969	19.2
88.06610	16.5
95.08601	53.2
97.02892	33.4
97.06507	20.3
97.10142	29.5
107.08611	39.8
109.10210	24.0
119.08539	15.7
121.10157	44.9
123.11732	33.2
127.03918	62.1
129.01833	37.7
135.11711	41.2
145.04958	37.9
149.02304	39.5
161.13341	17.8
196.79189	17.1
201.56314	18.4
205.19516	21.7
205.58609	18.5
223.20520	98.4
303.47131	18.3
350.72635	18.8
403.39767	75.0
415.53616	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	403.2092
Annotation	Met Pro Arg
Peak:m/z	Relative Intensity
53.70811	0.7
55.05505	1.6
56.96554	2.3
60.86963	0.9
63.39226	0.7
67.05506	1.6
69.07080	1.0
71.53941	1.0
75.55302	0.8
79.05491	1.6
81.03405	0.8
81.07050	2.5
83.08613	1.2
84.08092	1.4
85.08537	0.8
91.05470	1.7
93.07052	2.4
95.05003	1.6
95.08625	2.3
97.02883	1.0
97.06549	2.1
105.07031	2.6
107.08572	2.0
109.06519	0.8
109.10168	2.0
119.08602	2.4
121.10176	1.1
123.08085	1.0
125.71626	0.8
129.01883	1.6
131.08539	1.0
133.10175	1.2
135.04419	0.7
145.10094	1.7
147.11646	1.1
149.09625	0.8
154.75827	0.9
170.99652	0.8
175.14822	0.9
176.14232	1.0
283.65247	0.8
326.34738	0.9
329.17178	1.1
349.17371	0.9
376.12674	1.1
380.17685	0.9
403.20914	100.0
404.21362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	40.2
67.05486	49.2
69.54742	26.7
70.49074	83.0
87.04470	100.0
120.45660	31.1
170.69357	23.7
184.34717	33.5
241.18367	27.3
402.31952	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	402.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95732	100.0
70.96064	75.0
81.07049	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13336	1.5
52.40079	1.3
53.03951	2.4
55.05521	12.9
55.89013	1.5
56.05035	6.2
56.96559	6.3
57.03419	2.0
60.04517	7.1
67.05505	6.6
69.03431	10.5
69.07067	5.5
70.02916	1.7
70.06600	18.2
71.04989	2.3
71.21680	2.9
72.08159	100.0
74.06071	6.6
76.56722	1.6
77.43684	1.4
79.05487	2.8
81.03415	4.0
81.07058	3.8
82.06585	1.6
82.31898	1.7
83.04988	7.6
83.53149	1.4
84.04512	19.2
84.08146	26.4
84.96052	2.0
85.02902	16.7
85.06545	2.5
86.09709	73.3
88.04016	3.7
91.05498	11.6
93.06482	2.9
93.07047	37.3
95.04965	5.7
95.08617	5.2
97.02885	5.1
97.06541	3.2
98.97587	16.7
99.04498	2.4
100.07640	2.0
101.07165	3.1
101.70806	1.5
102.05549	6.7
103.05488	2.8
105.07045	5.1
107.08588	2.4
109.02866	3.7
109.06547	2.8
109.10116	3.7
110.07184	2.4
110.97519	2.0
111.08102	2.2
116.07099	7.9
116.98618	6.2
117.06992	3.7
119.08590	5.0
120.08127	1.7
121.06504	67.0
121.10148	3.4
123.04454	1.7
123.08070	2.3
125.05961	2.0
127.03922	4.3
127.05061	4.7
127.07560	7.9
128.98647	2.3
129.01787	1.9
129.10258	19.3
130.05017	6.8
131.08527	1.6
132.10231	7.9
133.10201	2.7
134.03510	1.6
135.08087	2.8
136.07550	1.7
137.06030	2.9
137.09575	1.9
139.07535	2.5
141.10298	3.7
143.11809	4.7
144.06555	1.8
145.04947	3.2
145.06070	3.0
145.10097	4.7
147.08035	2.1
148.06065	5.3
149.09608	5.0
155.10709	3.1
157.09776	6.1
158.99673	6.5
159.07672	1.9
159.11681	7.2
161.09320	2.6
163.03876	2.7
163.11198	3.8
166.08636	2.7
167.07002	2.2
171.11336	2.6
173.05698	2.6
173.12894	3.1
175.11038	3.0
177.00694	3.6
177.05611	1.7
177.12781	3.2
179.10725	1.6
185.08167	2.0
185.12805	3.8
187.11029	7.1
189.12408	5.2
193.12228	3.8
199.17963	1.7
201.00713	3.0
201.12352	11.0
203.13911	3.3
205.12238	44.6
215.05930	1.9
215.10355	3.2
215.13921	2.3
219.01794	7.0
219.13333	3.3
223.13283	18.8
229.11850	2.5
237.02841	7.0
240.07642	2.0
241.14384	3.8
247.12944	15.8
270.14526	2.4
270.18115	1.6
272.09763	2.8
272.12372	13.1
282.35153	1.5
304.15106	3.8
317.08932	10.5
335.10159	5.4
359.09912	2.9
381.10617	2.6
403.10208	6.8
403.15482	30.0
403.20032	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	402.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.5
63.79090	15.2
67.05516	30.1
69.07082	28.5
69.43112	77.4
69.43537	62.6
81.03419	18.8
81.07047	27.1
87.04475	100.0
91.05473	17.4
93.07040	28.1
97.02892	18.9
98.21280	60.0
107.08578	16.8
109.10107	15.8
123.53688	15.6
134.15707	15.4
142.45743	18.3
153.42435	15.3
181.27629	15.8
329.58813	16.9
402.32358	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	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46011	5.7
52.54713	6.0
55.01854	13.0
55.05518	55.1
57.03433	26.8
59.27961	5.5
67.05505	100.0
69.03429	12.0
69.07076	78.5
69.57870	29.1
69.58280	13.7
71.04983	7.2
75.34654	6.2
79.05501	80.0
81.03420	10.3
81.07056	97.4
83.04975	23.1
83.08617	34.9
85.06546	13.6
91.05492	67.0
93.07059	99.2
95.04994	13.6
95.08617	55.7
97.06536	25.6
97.10178	27.5
99.08083	7.9
105.07031	54.1
107.08611	70.4
109.06530	16.3
109.10165	25.8
117.07008	28.1
117.71691	6.3
119.08582	41.8
121.10152	33.3
123.08115	7.3
123.11750	7.5
125.09641	19.3
129.06975	12.8
131.08609	35.1
133.10139	48.6
135.08080	7.2
135.11703	28.4
137.09613	7.7
143.08556	7.3
145.10156	27.8
147.11690	20.4
149.09648	25.8
149.13274	21.0
150.92166	6.2
159.11708	37.3
161.13272	7.9
163.11171	12.2
167.43367	6.1
170.01486	7.1
173.13271	8.3
176.75914	6.2
177.12733	16.4
189.11322	13.3
190.72479	7.9
195.13770	7.9
227.12769	18.1
245.13672	7.9
255.15938	50.0
257.19040	12.1
269.17459	74.3
275.20175	56.7
286.20313	11.0
349.23734	72.7
367.24863	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31881	9.0
55.05496	36.3
56.96545	10.5
57.03429	21.3
57.58030	9.1
60.03900	8.7
60.18268	8.3
61.69632	10.4
67.05503	79.1
67.62344	9.2
69.07072	63.4
70.06572	10.3
71.05018	11.8
71.35458	17.3
79.05502	81.5
81.07064	100.0
83.08603	16.7
85.06560	13.4
91.05482	49.5
93.07046	67.2
95.04999	12.7
95.08593	40.5
97.02898	13.4
97.06531	18.5
98.60974	10.0
105.07010	39.7
107.08631	60.8
109.10169	19.3
117.07037	12.5
119.08566	29.3
121.10127	20.3
125.09605	13.1
131.08562	31.1
133.10114	33.9
135.08063	14.8
135.11687	34.8
135.52490	9.3
145.10150	22.3
147.11719	11.3
149.13214	20.0
159.11664	30.7
163.11134	12.1
177.12801	15.9
255.15926	76.3
257.19019	11.5
269.17508	66.9
274.72580	11.1
275.20013	42.9
316.11786	15.2
325.19995	14.6
349.23605	28.8
367.24640	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.0
55.05514	40.6
56.96564	6.0
57.03437	9.8
57.07084	3.7
61.02909	3.9
62.06102	7.6
67.05505	27.9
69.03416	4.8
69.07074	21.1
71.54501	4.1
79.05501	36.1
81.07063	31.9
83.04980	3.7
83.08632	26.6
85.02890	4.7
91.05493	19.8
93.07038	20.6
95.05004	5.8
95.08646	16.3
95.13332	3.2
97.02912	5.5
97.06535	10.9
97.10178	39.2
105.07021	20.7
107.04945	5.9
107.08595	64.7
109.10156	10.9
117.06954	5.5
119.08578	14.8
121.10164	4.4
123.11610	3.8
125.09657	32.4
125.34679	3.3
131.08549	8.2
133.10118	10.6
135.08028	6.7
135.11653	4.3
145.10114	15.0
145.48909	3.0
147.11644	10.5
149.09637	7.2
159.11719	5.7
161.13345	4.4
171.10210	8.6
171.11710	4.3
176.78822	3.1
189.11221	25.5
221.76111	4.5
227.12801	42.8
229.07417	5.5
239.17885	4.5
245.13875	15.3
247.08638	3.6
257.19052	13.5
269.10754	4.1
273.75928	3.5
275.20068	42.2
316.11722	7.6
349.23758	100.0
403.21024	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	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75573	2.6
53.03938	5.5
55.01851	3.0
55.05499	11.9
57.07061	3.4
67.05508	18.5
69.03428	5.7
69.04668	3.3
69.07081	17.1
70.33901	6.0
70.34237	4.4
71.04980	8.7
79.05490	24.6
81.06665	3.3
81.07067	34.9
83.04990	5.3
83.08626	5.3
88.66655	3.4
91.05482	47.5
93.07040	56.1
95.04982	7.4
95.08612	27.9
97.06530	3.3
98.20815	4.1
101.80650	3.0
105.04440	3.2
105.07040	88.1
107.08591	41.8
109.06520	52.6
109.10152	21.1
111.08076	5.9
115.05439	6.5
117.07010	25.1
119.08590	81.1
121.10142	17.4
123.08067	5.7
123.11731	4.9
128.06187	11.5
129.07010	20.3
130.07785	12.6
131.08580	54.2
133.07588	3.5
133.10129	66.2
135.08105	14.8
135.11671	20.0
137.09615	7.5
141.06924	7.8
142.07797	20.8
143.08553	47.9
144.09314	13.2
145.10129	100.0
147.08046	7.7
147.11700	15.8
153.06938	3.4
155.08565	19.6
156.09360	17.5
157.10136	57.8
157.75208	3.8
158.10912	11.1
159.11693	32.9
161.09627	4.9
165.06981	5.2
167.08588	8.4
168.09258	4.8
169.10136	25.4
170.10916	7.4
171.11716	27.6
173.13272	32.3
175.14853	11.2
179.08545	8.7
180.09221	4.3
181.10109	8.0
182.10892	7.0
183.11745	23.5
185.13251	9.3
187.14816	43.6
189.12735	3.6
193.10158	8.7
194.10887	10.9
195.11710	19.2
197.13187	20.5
199.14815	19.8
201.12685	6.2
205.10139	4.1
206.11000	6.6
207.11751	15.2
208.12459	4.5
209.13298	25.3
211.14819	9.4
213.12753	3.5
220.12477	4.1
221.13223	16.1
223.14793	7.2
231.11700	3.7
233.13200	4.1
235.14796	8.5
237.16345	9.4
241.55551	3.6
251.18042	4.4
265.19461	9.3
275.17813	3.0
277.19684	3.6
279.21158	3.8
319.18716	3.7
401.28314	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
53.59196	3.1
55.01878	16.2
55.05510	15.6
55.55341	3.2
57.03437	12.7
57.07075	7.6
59.05000	6.1
61.02930	11.7
65.03947	3.5
67.05511	29.5
68.99789	11.5
69.03433	55.1
69.07071	35.2
69.78911	3.2
70.06590	12.9
71.01363	4.7
71.05003	39.3
72.08170	20.5
72.22177	4.1
73.02908	7.2
79.05506	28.8
81.03425	40.6
81.07060	54.6
83.04990	8.5
83.08621	14.3
84.08185	4.9
85.02911	69.3
85.03391	6.5
85.06581	4.7
86.09718	18.6
87.00832	34.4
91.05483	37.3
93.07056	37.7
95.04952	20.2
95.08616	26.4
97.02905	36.3
97.06537	7.0
98.20757	11.8
98.97574	3.9
99.04469	11.0
99.08111	8.5
103.03972	8.2
105.01851	19.9
105.07042	43.0
107.04975	13.3
107.08593	46.1
109.02898	24.3
109.06528	100.0
109.10163	46.1
111.04487	8.1
113.06036	4.5
115.03945	8.5
117.07042	15.4
119.08582	47.5
121.06532	31.2
121.10123	18.8
123.04418	10.0
123.08068	16.5
123.11721	16.6
125.06039	7.6
125.13283	4.5
127.03928	26.0
127.11198	11.0
128.06236	5.5
129.01862	8.3
129.06984	9.6
130.07811	4.3
131.08583	21.6
133.06488	11.0
133.10147	11.9
135.04466	4.1
135.08046	19.8
135.11703	18.3
137.05991	5.7
137.09621	24.5
137.13254	4.0
139.07524	8.6
139.11189	4.9
143.08582	10.6
144.09294	3.8
145.04990	7.8
145.06476	4.5
145.10109	19.5
147.02892	5.4
147.08052	13.7
147.11691	9.4
149.09613	8.3
151.07576	8.1
151.11234	15.1
153.12753	19.1
155.07094	3.8
155.08594	8.0
157.10138	4.3
159.02922	7.4
159.08052	7.3
159.11703	13.1
161.09671	4.2
161.13280	4.5
163.07600	12.0
163.11205	7.1
165.12836	17.9
165.54648	3.7
167.07059	15.2
167.10703	6.2
171.02945	4.0
171.08144	5.6
173.09618	29.5
173.13232	5.7
175.07593	9.6
175.11189	7.6
177.05507	9.3
177.12784	30.0
179.14415	3.9
181.12224	4.0
185.09677	3.2
185.16519	4.3
187.07487	4.8
187.10883	3.8
189.03943	12.3
189.09113	5.2
189.12628	4.8
191.07085	4.7
191.10646	19.0
193.08612	4.9
193.12248	9.5
195.13864	38.1
195.15550	5.0
197.13350	5.3
201.03972	7.9
201.12665	6.2
207.13918	6.0
209.08267	3.3
209.11656	3.9
215.14322	10.0
219.13818	10.9
221.11604	4.2
225.12753	3.9
227.09177	8.5
231.05069	13.1
233.15381	6.3
237.14870	15.9
243.13873	20.6
261.14896	31.7
279.15744	5.5
284.76923	3.6
328.40121	3.4
337.86066	3.5
347.14981	8.1
357.15320	9.7
365.16095	8.5
383.16977	11.5
401.13385	22.8
401.18027	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05500	2.8
67.05498	4.4
67.19686	2.2
69.03422	4.8
69.07074	2.4
69.60548	4.4
69.60957	7.6
70.06584	1.7
71.05033	2.2
71.43034	1.6
73.38918	1.9
79.05499	14.5
81.03416	3.9
81.07050	5.4
85.02921	5.0
88.47582	1.8
91.05472	5.4
93.07055	7.1
95.04964	3.6
95.08620	4.4
97.02882	3.4
98.20746	2.5
105.07038	5.6
107.04973	22.7
107.08610	11.2
109.10158	2.7
115.05428	2.9
116.59618	1.8
117.07044	4.0
119.08597	4.6
121.06482	3.3
121.10217	2.9
123.04398	4.9
124.05219	4.3
125.05966	2.2
127.03943	2.3
129.07004	4.3
131.08562	5.6
133.10188	2.9
135.11684	8.9
137.18501	1.8
141.06961	3.9
144.05750	4.3
145.06451	5.4
145.10185	3.5
151.07498	1.9
152.04683	3.5
156.05734	7.8
156.42513	1.9
157.06435	3.2
159.08020	11.9
163.03818	2.7
163.11179	4.6
167.07039	68.6
169.06372	2.5
173.05969	4.2
181.05051	2.3
184.05260	3.8
186.06810	3.0
187.07578	6.9
190.06177	2.2
190.07834	2.3
191.08556	2.1
191.10652	2.2
195.06567	4.2
202.06186	3.8
202.07854	2.7
205.06927	2.6
205.08531	12.7
207.06525	4.0
208.05186	16.5
211.07443	2.3
215.08658	2.0
217.08600	28.0
218.07314	3.0
219.08110	10.4
219.10042	3.6
220.08803	5.7
221.05946	7.8
225.05522	1.8
227.12823	2.2
229.08641	3.8
231.08131	6.3
233.06024	3.7
233.09564	5.6
234.06693	2.3
235.07562	2.3
236.04741	8.8
236.08478	2.4
240.04150	2.8
247.07515	8.5
247.09740	12.1
248.08299	9.4
249.05417	3.0
249.09158	3.8
250.06146	2.0
251.10762	3.7
254.05722	9.3
259.07526	2.4
261.09100	4.6
262.09973	2.1
263.07074	2.9
263.10638	6.8
264.07788	5.8
265.08667	7.0
267.06552	6.1
268.03622	3.4
269.08063	22.7
270.08826	2.4
271.09680	5.3
272.06912	5.7
275.07077	5.5
276.07803	6.4
277.08578	4.9
279.10184	6.8
282.05389	3.6
282.08881	12.3
285.07544	2.1
287.09198	4.0
290.09286	4.2
291.07291	2.6
291.10117	12.5
292.07324	5.1
293.08182	9.4
294.08725	2.2
295.06024	2.1
300.06009	2.9
301.07037	2.9
305.08200	2.9
307.06573	2.3
307.09390	8.7
308.10370	4.9
309.11166	3.5
310.08438	8.7
311.12769	3.4
315.08627	91.8
319.09760	6.6
320.10187	2.0
321.07645	2.7
321.11081	3.1
323.09302	2.5
323.12671	9.4
328.09436	5.4
330.10968	100.0
331.11578	10.4
336.09802	5.1
337.10660	6.8
339.12042	8.7
343.11789	19.1
351.07870	3.4
351.12155	24.0
353.10056	5.3
356.12369	2.9
357.08694	3.2
368.12457	7.2
369.13281	4.5
371.14944	6.3
379.87701	2.1
383.14874	66.2
401.16022	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	401.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	17.3
55.01862	14.4
55.05524	18.4
57.03426	12.1
57.07054	3.4
61.02925	9.5
62.55378	3.6
65.03941	3.4
67.05510	22.8
68.99780	12.6
69.03438	62.6
69.07073	28.3
69.65064	18.6
70.06565	5.3
71.04996	17.4
72.08151	18.0
73.02916	8.8
79.05487	36.9
81.03426	39.8
81.06599	4.2
81.07061	71.6
82.93726	3.3
83.04989	19.2
83.08620	10.9
84.08142	4.7
85.02913	100.0
85.06549	6.6
86.09711	55.7
87.00831	53.8
91.05494	27.5
93.07043	84.6
95.04967	15.4
95.08614	37.4
97.02901	40.5
97.06534	28.0
99.04449	26.9
103.03900	3.5
105.01881	37.3
105.07037	42.4
107.04948	7.2
107.08601	93.7
109.02893	41.2
109.06509	21.8
109.10159	18.9
111.04428	9.3
111.08099	4.3
111.61286	3.1
115.03940	4.1
117.06984	7.1
119.08590	32.5
120.08138	15.7
121.06532	18.2
121.08453	9.3
121.10149	33.2
123.04436	11.6
123.08053	11.3
123.11678	4.7
125.05991	6.0
127.03920	82.3
129.01805	9.2
129.07001	5.6
131.08560	15.5
133.06508	3.9
133.10110	13.1
135.08054	9.8
135.11697	60.0
137.05948	4.0
137.09608	10.0
137.13321	6.2
139.11186	6.5
143.08517	5.9
143.11809	13.2
145.04973	34.1
145.10114	27.5
147.02931	9.1
147.08067	3.9
147.11684	17.0
149.09581	12.3
151.07538	8.4
151.11171	7.0
153.12743	29.7
155.08531	8.9
157.10115	8.4
159.02939	18.2
159.07983	5.6
159.11693	8.3
161.13185	4.9
163.11200	44.1
165.12749	16.7
167.07037	8.5
167.10670	12.1
169.08615	8.9
169.09970	3.2
171.11456	6.6
173.09663	6.7
175.11218	8.0
175.14877	3.9
177.12703	7.0
179.08675	3.4
179.10593	3.9
181.12238	15.2
189.03998	4.4
191.10669	17.7
193.12274	9.3
195.13782	4.0
201.12871	3.9
207.11339	8.1
208.11641	11.8
209.11737	10.4
215.14371	3.8
219.13800	5.5
221.15359	34.1
227.12825	25.4
231.05026	11.8
233.15494	3.5
243.13850	16.8
261.14835	48.1
270.18149	5.8
270.42593	3.2
279.15787	6.7
297.16891	4.8
307.10184	3.2
315.08539	7.2
315.13162	3.3
321.16965	9.8
330.10895	9.9
347.14978	28.7
351.12277	3.4
357.08615	6.3
365.15979	18.1
383.17441	16.9
401.18152	4.5
401.26462	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	400.187
Annotation	Tyr Phe Ala
Peak:m/z	Relative Intensity
53.03955	1.0
55.05487	1.2
56.96563	2.9
57.03420	1.6
59.05010	1.0
59.24677	0.7
61.02921	0.7
61.47642	0.7
67.05501	1.2
67.15229	0.7
69.03434	2.0
69.07085	1.5
70.06599	6.4
71.05004	0.8
71.52501	0.8
72.08144	2.7
72.24666	0.7
73.02907	1.1
75.18443	0.7
79.05496	1.3
81.03410	1.2
81.07061	1.2
83.04947	1.0
84.04489	1.2
84.08134	3.2
84.96066	1.0
85.02913	6.9
86.09715	6.6
90.05582	0.8
91.05492	17.5
93.07039	1.7
97.02895	3.3
98.97585	4.9
103.05470	3.0
105.07064	1.2
106.06553	1.2
107.04964	1.3
107.08593	0.9
109.02889	1.3
110.07177	1.3
110.97617	1.0
116.07095	1.8
116.98612	1.4
118.06559	2.1
119.04960	12.5
119.08626	0.8
120.08118	85.8
122.02761	1.1
122.06037	2.7
122.06989	0.7
124.07581	1.1
127.03939	1.2
128.98677	0.9
129.10234	1.3
132.08173	0.8
134.06033	11.3
136.07591	100.0
137.07947	0.9
145.05042	0.9
147.04442	2.4
152.07074	2.8
152.51994	0.7
158.99643	1.5
162.05495	0.9
163.03915	2.0
167.07071	2.7
177.05626	1.0
184.07390	3.0
186.07893	1.0
195.91367	0.7
219.01753	1.5
237.02803	1.5
237.12354	12.0
238.12440	1.7
283.14444	53.8
295.12439	0.9
311.04950	0.8
311.13916	12.5
321.10068	2.0
339.11121	1.7
358.08185	2.7
401.06088	1.0
401.14102	2.0
419.06873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37662	0.9
55.01871	7.3
57.03439	16.1
57.07072	1.9
59.04985	1.8
61.02930	16.2
67.67238	0.9
69.03430	27.8
69.07067	1.1
69.50124	5.0
69.50534	1.5
70.06602	5.6
71.01339	2.5
71.04985	2.3
72.08147	2.6
73.02921	76.5
81.03432	7.2
81.07067	2.0
83.04988	1.1
84.08167	1.6
85.02909	100.0
86.09698	3.8
87.04457	4.1
87.10027	1.3
91.03968	6.4
91.05467	1.3
93.07072	1.0
94.44195	0.9
95.04960	1.5
96.04487	1.3
97.02896	46.8
97.03529	2.2
98.97554	1.2
99.04453	4.0
103.03938	2.8
106.60732	1.0
107.08616	1.1
109.02893	8.4
115.03939	24.5
116.07114	2.0
117.43554	1.0
119.71636	1.0
120.08113	2.7
127.03929	35.2
133.04974	36.3
134.06023	3.6
137.05905	1.2
145.04965	64.6
150.07582	4.2
163.06027	28.4
177.00879	1.0
177.05438	1.2
185.11775	1.1
193.05077	1.5
199.06079	2.1
217.06973	1.6
223.06035	6.1
223.07907	1.0
231.19606	0.9
241.07072	7.8
251.14874	6.4
259.08145	11.4
277.09045	2.0
295.10291	4.4
305.79144	1.0
377.99817	1.0
400.16177	1.8
400.21255	2.3
401.17654	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3786
Annotation	N-hexanoylsphinganine
Peak:m/z	Relative Intensity
55.05515	7.9
56.05030	0.5
56.96547	0.3
57.07076	1.7
58.06601	1.7
62.24051	0.3
67.05488	1.1
68.05007	0.3
69.07068	6.5
70.06593	13.9
70.59339	0.7
71.08607	0.8
72.08151	0.8
74.06063	1.0
79.05495	0.3
81.07047	1.2
83.08611	3.6
84.08160	0.3
85.10137	0.3
86.09682	0.4
88.07632	27.3
95.08600	0.9
97.10170	1.5
100.07631	0.4
102.09183	11.4
105.06990	0.3
132.10210	1.1
146.11748	0.8
150.11237	0.7
154.15871	0.5
158.06108	0.3
177.34219	0.3
251.24469	0.3
294.31625	0.5
312.32642	0.6
314.87119	0.3
320.32745	0.3
338.34158	32.4
339.34561	0.5
382.36771	2.7
400.37851	100.0
401.38095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21832	2.6
50.62422	2.6
53.03936	4.0
53.38891	2.3
55.05511	57.0
55.05761	2.1
57.03436	7.0
57.07075	21.9
57.59833	2.7
61.02916	3.1
67.05506	76.7
67.57436	2.4
69.03434	95.9
69.07070	65.2
69.93256	12.5
71.04980	9.1
71.08627	10.9
75.42644	2.7
79.05495	26.6
81.03412	18.5
81.07055	97.7
83.04967	7.4
83.08620	61.8
85.02907	24.7
85.06528	5.9
85.10201	5.5
88.58080	2.7
91.05490	7.1
93.07050	35.0
95.04947	3.3
95.08611	73.4
97.02911	32.7
97.06545	6.3
97.10171	28.9
98.20808	4.1
98.55982	2.5
99.04458	13.5
99.08105	4.6
105.07047	5.3
107.08602	22.5
109.02892	11.1
109.10162	26.6
111.04436	3.4
111.08086	4.8
111.11723	9.5
119.08572	4.6
121.10144	39.1
122.11561	2.7
123.11703	21.4
125.09547	4.0
125.13292	3.0
126.64068	2.6
127.03918	58.6
127.45260	2.7
129.05484	5.4
131.08612	3.3
133.10110	3.2
135.11687	40.0
137.13257	14.4
139.11208	3.4
145.04961	16.5
147.11678	3.2
149.02396	3.0
149.13280	18.9
157.38306	2.4
163.14810	7.9
177.16371	2.8
217.19595	4.3
219.21085	28.7
235.20644	3.5
237.22139	100.0
293.24344	3.4
303.23111	4.8
321.24335	5.1
345.24243	7.1
363.25275	2.9
381.26541	4.5
399.26810	3.4
399.31354	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	399.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01868	2.5
55.05513	47.3
57.03442	6.6
57.07082	15.8
59.46834	2.3
61.02927	3.2
61.32612	2.6
64.35897	2.1
67.05509	49.3
67.05862	1.9
67.50172	2.1
67.93083	2.2
69.03432	85.9
69.07071	57.6
71.04977	8.7
71.08620	10.7
79.05488	19.8
81.03416	9.0
81.07058	80.7
83.04981	4.3
83.08621	44.2
84.48784	2.5
85.02905	27.1
85.06537	3.4
85.10165	2.5
88.45222	2.3
91.05476	5.5
93.07046	24.7
95.08609	63.7
97.02911	23.1
97.06512	6.6
97.10168	35.2
97.10767	3.1
99.04462	8.4
105.07033	4.4
106.30098	2.2
107.04903	2.6
107.08588	20.1
109.02880	10.7
109.06503	2.4
109.10150	23.4
111.08062	6.3
111.11725	9.9
114.39342	2.4
115.03875	2.1
119.08581	4.0
121.10143	36.9
123.11729	21.1
126.27503	2.3
127.03918	57.9
129.05482	4.1
133.10104	3.6
135.11705	27.7
137.13235	11.5
139.11183	3.3
145.04979	15.0
145.10135	2.8
149.13271	15.1
153.12614	3.5
163.14845	6.2
167.11160	2.3
167.14291	3.2
209.28723	2.1
219.21123	25.9
221.33604	2.3
235.20509	2.4
237.22141	100.0
265.25372	5.7
303.23416	2.6
321.24271	4.7
345.24219	6.5
353.85184	2.5
363.25482	4.1
369.38727	2.3
381.26270	5.5
399.27057	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	399.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01878	2.5
55.05512	50.9
57.03419	7.2
57.07074	18.6
61.02905	2.3
67.05507	69.9
67.27383	2.0
69.03432	98.9
69.07071	66.5
70.81190	6.3
71.04984	9.1
71.08623	8.5
71.16128	1.9
79.05497	28.6
81.03422	14.2
81.07059	93.4
81.20535	2.2
83.04989	4.2
83.08624	54.4
85.02906	25.1
85.06541	6.5
85.10186	3.3
91.05468	5.9
93.07044	31.5
95.04976	3.1
95.08616	76.7
97.02895	25.6
97.06509	8.1
97.10181	34.9
99.04440	6.7
99.08073	3.8
105.07038	3.7
107.08590	28.8
109.02863	8.0
109.10158	30.4
111.04440	4.0
111.08077	6.3
111.11716	11.7
113.09620	2.8
118.11512	2.5
119.08571	3.7
121.10159	41.7
123.11704	23.2
127.03918	57.5
127.11195	2.7
129.05490	2.5
133.57544	2.1
135.11690	34.3
137.13252	17.0
139.11169	3.6
145.04953	12.7
149.13239	16.0
151.14815	3.3
153.12820	3.0
163.14807	5.2
219.21033	26.1
231.57385	2.3
237.22124	100.0
303.23300	4.3
345.24197	8.1
381.26117	5.1
399.31195	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	399.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
55.05511	0.9
56.96568	0.4
57.01889	0.3
57.03431	1.2
57.48347	0.3
67.05500	1.3
68.99783	0.8
69.03436	0.9
69.07068	2.8
69.56566	0.3
71.04993	0.8
71.30306	0.7
79.05501	2.5
81.07080	0.8
85.02910	1.2
91.05494	0.6
93.03426	0.5
93.07046	0.8
95.08628	0.6
97.02924	0.4
97.06536	7.7
97.07162	0.5
98.97600	1.1
105.07028	0.8
111.00843	0.6
121.02896	0.8
129.05505	0.6
130.67581	0.4
137.02385	1.0
145.06494	0.4
149.02327	0.4
153.01839	6.9
155.04939	0.4
156.89514	0.3
159.04427	0.5
161.05959	0.8
163.67905	0.4
165.01831	1.3
171.04527	0.5
173.06061	0.4
175.07651	0.7
179.03432	0.6
183.32585	0.3
187.03960	0.5
189.05562	1.1
201.05487	2.0
203.03505	0.6
213.05450	0.4
215.07054	0.6
217.04971	6.4
219.12354	0.7
228.04214	0.4
229.05063	3.4
237.13356	4.6
241.05049	0.4
243.06615	1.3
245.04466	7.6
255.14453	2.9
257.04352	2.0
258.05585	0.4
264.06848	0.5
269.04471	2.2
271.06146	1.3
273.03958	6.5
273.06952	0.4
274.04770	0.7
279.14395	0.8
281.08038	0.5
285.03955	4.0
286.04910	0.5
287.05615	0.6
297.15503	0.4
299.05511	7.8
301.03445	12.1
301.06732	0.7
302.04230	2.8
303.05023	6.2
309.07727	0.4
311.05533	0.6
313.03430	28.2
315.05093	0.5
325.07034	2.4
326.04211	2.4
327.05032	0.8
327.08801	2.4
339.05200	0.5
340.05905	0.9
355.08133	24.3
355.17368	1.2
381.09882	0.9
381.23035	0.3
399.10910	100.0
399.19904	83.3
400.11230	3.2
400.20319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21690	0.5
51.02383	0.4
53.03942	1.5
55.01866	0.9
56.96555	0.8
57.03436	6.2
61.02921	2.2
62.80310	0.5
67.05506	1.1
69.03431	9.7
69.07065	0.6
70.06588	1.5
70.77259	1.1
70.77608	0.8
70.81714	0.5
71.01362	0.7
71.04994	0.9
71.08638	0.5
73.02917	2.0
75.04488	0.8
77.03922	0.6
79.05499	0.9
81.03423	5.3
81.07069	0.8
83.05006	0.7
84.04503	0.6
84.08133	0.9
85.02909	25.6
86.09711	3.6
87.04462	1.9
88.03960	0.4
91.03950	0.9
91.05493	1.3
93.07041	0.6
95.04971	0.7
95.08604	0.6
97.02901	8.5
98.97594	2.3
99.04471	2.6
103.04018	2.9
103.05473	44.9
105.07010	1.2
107.04966	0.9
109.02895	3.8
110.07218	0.7
111.04421	0.6
115.03967	0.9
116.07150	0.7
117.05514	2.0
120.08157	0.9
124.99991	1.5
125.01272	0.5
127.03934	7.5
129.05493	0.7
130.04158	1.2
130.89223	0.4
131.04935	100.0
132.04471	1.0
133.04799	0.7
133.06499	0.8
136.06192	0.6
136.07585	0.8
141.05453	0.7
145.02852	0.6
145.04959	4.7
148.05188	12.1
159.08115	0.5
160.05228	0.7
161.04732	0.9
161.05959	4.6
163.07549	53.3
175.07573	1.2
177.05432	0.7
178.05823	0.6
183.06599	0.8
184.07372	6.7
185.07687	1.3
196.65303	0.5
201.07472	1.0
201.09142	2.4
219.01776	0.6
219.10272	0.6
237.11301	3.7
250.09274	0.6
283.08047	0.6
310.02545	0.5
357.08466	0.6
399.12054	0.7
399.16364	1.7
400.20819	0.5
414.98975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1075
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
51.02396	0.5
55.01865	1.9
55.05502	1.7
57.03424	1.4
67.01859	2.0
67.05495	0.7
68.99785	4.7
69.03423	2.9
69.07066	1.3
70.06592	3.2
70.78112	1.2
71.05010	0.7
74.53998	0.6
79.05485	1.3
81.03430	0.8
81.07064	0.8
83.01362	0.7
83.04994	0.8
85.02898	1.8
85.21510	0.7
86.09709	1.1
91.05478	2.0
93.07037	0.7
97.02896	1.0
97.06524	0.8
98.97560	1.0
99.04433	0.7
100.11251	0.6
103.05463	0.8
105.07016	2.5
107.08585	1.3
109.02888	1.3
109.06564	0.7
111.00806	3.3
115.05430	1.4
115.31332	0.7
117.07018	0.7
123.04450	1.6
123.76849	0.6
127.03934	1.1
128.06174	1.2
129.05515	1.1
129.07014	1.4
131.04951	1.2
131.08592	1.0
133.06506	1.2
133.10129	1.1
136.06157	0.6
137.02353	2.3
139.03854	1.4
141.06999	1.3
143.08574	2.0
145.06499	2.2
145.10132	0.8
147.04401	2.2
147.08035	1.0
153.01834	100.0
153.06963	3.4
154.02196	0.7
155.03433	0.8
155.04881	0.7
155.06104	0.6
155.08501	1.1
157.06491	1.4
158.58418	0.5
159.08080	0.9
160.05197	1.5
161.05991	4.1
161.09627	1.2
162.06721	0.7
165.01846	4.5
165.07037	0.8
169.06508	0.8
171.03029	0.8
171.04451	0.8
171.08058	2.0
173.06033	3.9
174.06802	1.1
175.03969	1.6
175.07564	2.5
177.05434	1.2
179.03490	0.8
181.01299	0.7
181.06508	3.1
183.02911	1.0
183.08122	0.6
185.05991	0.9
187.03854	1.4
187.07581	2.2
189.05518	3.8
189.09148	3.5
195.08125	0.8
197.05939	0.8
199.03958	0.9
199.07549	4.4
200.04657	1.5
201.05412	4.0
201.09152	1.3
203.03415	2.4
203.07051	1.6
205.08537	1.1
209.05933	0.7
211.07565	1.1
212.04764	0.9
213.05431	0.9
213.09148	0.8
215.07045	2.6
217.04961	1.8
217.08601	2.4
225.05402	0.8
227.07021	5.3
229.05043	1.7
229.08611	6.5
229.15555	1.4
231.06633	1.4
237.05478	1.1
239.07201	0.7
241.08598	1.3
242.05771	1.7
243.06598	1.8
245.04442	1.0
245.08144	3.0
250.06154	1.1
251.06970	0.9
251.78847	0.8
253.04921	1.8
255.06520	10.4
259.06073	0.7
265.04926	1.2
269.04459	4.3
269.07745	1.3
270.05200	4.3
271.06015	2.6
273.04523	0.7
273.07562	16.9
278.05771	1.1
279.06534	1.0
281.04874	0.7
281.08185	1.9
282.05289	2.4
283.06097	1.4
285.04050	2.8
291.06479	1.0
292.07431	0.8
295.06046	1.8
297.03885	2.2
297.07672	2.2
298.04669	4.4
299.05435	2.1
299.09039	1.6
301.03421	1.0
302.04272	1.3
303.04935	1.3
306.05328	1.3
307.06113	0.9
307.09631	2.0
309.07559	5.5
310.04700	0.7
311.05475	4.4
311.09177	1.7
313.03433	5.4
313.07010	1.3
315.05011	0.8
315.25656	0.7
317.08072	1.0
319.05951	0.7
320.06842	0.9
323.05545	1.0
324.06235	2.1
325.07153	1.7
325.10788	0.8
326.04196	2.9
326.07828	1.1
327.05084	7.1
327.08582	1.1
334.04779	2.1
335.05606	1.2
335.09235	3.7
337.07010	4.0
338.07791	0.8
339.04965	2.1
339.08670	1.2
340.05887	1.2
342.07318	1.1
348.06265	1.2
352.05667	0.9
353.06439	1.1
353.10269	5.3
355.08130	70.0
356.08456	1.2
363.08630	5.6
381.09717	28.0
382.09970	0.7
399.10742	60.2
400.11115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1078
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01863	0.9
55.05511	1.3
57.03428	1.5
58.36335	0.6
63.48768	0.5
67.01849	1.7
67.05502	0.7
68.99800	5.0
69.03423	1.8
69.07069	1.2
69.25664	5.1
79.05486	1.0
81.03429	0.6
83.04971	1.3
91.05484	0.9
97.06532	2.5
97.67507	0.5
98.20747	1.1
103.05467	1.0
105.07044	0.7
107.04979	1.1
109.02872	0.9
111.00813	2.5
115.05473	1.4
123.04452	1.6
127.03902	1.0
128.06235	1.6
129.07024	1.1
131.04903	0.8
131.08539	0.8
133.06517	0.7
137.02347	2.1
139.03929	1.5
141.06944	0.8
143.08542	1.4
145.06508	2.0
147.04405	2.3
152.06180	0.6
153.01843	100.0
153.06990	2.6
155.03493	0.8
155.04929	1.3
155.08603	0.7
157.06454	1.1
159.04468	0.7
159.08116	0.7
160.05247	1.5
161.05983	4.3
163.03923	0.6
165.01860	4.4
171.04411	1.0
171.08032	1.4
173.06021	3.8
175.03928	1.2
175.07544	2.1
179.03386	0.6
181.01303	1.2
181.06512	2.6
183.02922	1.4
184.05212	0.9
185.06026	1.3
187.03928	1.5
187.07530	2.3
188.08347	0.8
189.05424	2.8
189.09143	3.0
191.03415	1.0
193.04907	0.8
195.02951	0.7
197.05981	1.0
199.03870	1.5
199.07552	4.4
200.04614	0.8
201.05473	2.9
201.09103	2.7
203.03433	2.7
203.07079	1.4
205.08598	1.2
209.06175	1.1
211.07526	1.1
213.01945	0.7
213.05504	1.3
213.09169	1.1
215.03482	0.8
215.07008	3.1
216.04185	1.2
217.05037	3.5
217.08606	2.5
227.03477	1.2
227.07048	6.0
228.04138	0.7
229.04991	2.3
229.08603	5.6
231.06575	1.8
237.05508	1.2
241.05124	1.0
241.08643	1.8
242.05817	1.3
243.06526	1.3
245.04475	2.6
245.08090	2.7
251.06882	0.8
253.05040	1.6
255.06549	10.1
257.04605	1.2
263.07248	0.7
265.04935	1.1
265.08517	0.7
266.05905	0.7
269.04489	4.9
269.08044	1.8
270.05173	2.9
271.06003	2.1
273.03992	1.7
273.07587	15.9
278.05685	0.8
279.06595	0.9
281.04697	1.3
281.08240	0.9
282.05301	2.0
283.06021	1.6
285.03885	4.0
292.07333	0.8
295.06030	2.2
297.03940	2.7
297.07553	1.8
298.04797	4.6
299.05637	4.0
301.03485	4.6
302.04211	2.1
303.04901	3.7
306.05042	1.1
307.06091	1.2
307.09680	2.8
309.04318	0.8
309.07629	2.2
310.04755	0.9
311.05557	4.7
311.09006	1.4
313.03436	11.0
313.07047	2.5
315.04929	0.8
317.08090	1.7
319.05966	1.0
320.06863	0.8
323.05508	2.0
324.06281	1.9
325.03491	1.2
325.07056	3.2
325.10678	1.4
326.04437	2.8
326.07730	0.8
327.05121	7.0
327.08682	1.7
334.04761	1.9
335.05441	1.5
335.09164	3.6
337.07211	4.1
338.07660	0.7
339.04916	3.1
339.08414	1.0
340.05643	1.0
342.07242	0.9
345.07535	0.7
348.06348	1.4
353.06509	0.8
353.10254	4.6
355.08148	51.3
356.08633	0.8
363.08685	5.9
381.09732	54.2
382.10181	1.1
399.10779	75.8
400.11105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.4
56.96564	14.7
57.09375	1.0
69.03448	1.9
70.06600	1.8
70.44994	2.1
70.45363	1.8
71.08633	1.8
76.69660	1.0
83.04979	1.4
84.08141	1.7
84.96026	5.9
85.02899	2.5
85.10164	1.2
97.02888	3.7
98.97585	51.0
98.98449	2.7
101.05997	2.5
103.05471	1.1
109.85157	1.0
110.97572	20.5
111.04456	1.3
112.99129	5.2
116.98630	16.1
121.06519	5.1
124.99100	1.7
128.98621	18.6
129.05528	1.2
131.00189	4.6
134.99661	2.8
136.06194	1.8
140.98561	3.2
143.00177	7.2
144.98088	1.1
145.04953	1.4
146.99683	8.7
149.01205	1.8
152.98616	1.8
158.99675	7.8
161.01241	5.8
170.99669	4.6
173.01190	1.2
177.00729	10.1
182.50645	1.1
189.00723	4.7
193.01695	7.3
195.03314	7.9
195.04822	1.4
201.00722	3.5
209.54678	1.2
211.02771	6.3
213.00771	1.6
213.04366	8.8
219.01764	39.7
222.24828	1.0
223.02737	1.4
237.02785	54.0
242.03346	1.6
249.04306	1.4
250.09399	2.3
260.04456	1.9
279.05423	2.4
310.54993	1.0
339.07510	100.0
340.07980	2.2
357.08527	5.1
399.09439	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	399.1077
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01865	1.2
57.03427	1.1
67.01866	2.3
67.05496	0.7
68.99786	5.0
69.03429	0.9
69.07079	1.2
70.24725	1.8
72.91383	0.6
79.05486	1.5
83.04971	0.6
84.08141	0.8
91.05500	1.1
95.04955	0.6
97.02895	1.1
97.06526	2.0
103.05470	1.0
105.07037	1.1
109.02890	0.7
111.00809	2.8
115.05478	1.2
117.06993	1.0
119.08561	0.6
121.02891	1.0
123.04443	1.4
127.02370	0.5
127.03903	0.6
128.06172	0.6
129.06966	0.9
131.04910	0.6
131.08575	0.8
133.06529	1.0
137.02362	2.1
139.03871	1.3
141.06964	0.9
143.04950	1.1
143.08588	1.2
145.06497	1.4
147.04402	2.2
151.03928	0.6
152.06247	0.9
153.01837	100.0
153.06949	3.4
155.03401	0.6
155.08556	1.5
157.06477	1.7
159.04384	0.6
159.08107	0.8
160.05209	1.2
161.06009	6.3
162.06682	0.7
165.01842	4.4
165.07094	0.6
169.06538	1.1
171.04396	0.7
171.08047	1.1
173.05975	3.6
174.06781	0.8
175.03912	0.9
175.07530	2.9
179.03340	0.7
181.01305	1.0
181.06519	3.1
183.02904	1.1
183.08102	1.6
184.05215	1.1
185.06032	1.1
187.03915	1.4
187.07542	2.1
188.08310	1.1
189.05496	4.8
189.09077	2.8
195.08112	0.9
197.05925	1.1
199.04103	0.5
199.07533	3.4
200.04733	1.5
201.05431	4.5
201.09177	1.8
203.03424	3.3
203.07048	1.8
205.08563	0.7
209.05949	0.9
211.07651	0.9
213.05470	0.8
213.09122	0.8
215.07022	3.1
215.58986	0.6
216.04224	1.1
217.04990	3.0
217.08629	1.6
227.07080	5.7
229.05077	3.1
229.08577	5.7
231.06567	2.1
240.04016	0.6
241.08708	0.6
242.05798	1.0
243.06503	1.4
245.04521	1.5
245.08183	3.7
250.06358	0.9
251.07086	0.7
253.04959	1.3
255.06528	10.2
257.04425	0.8
265.05142	0.8
267.06787	0.7
269.04489	4.4
269.08014	1.5
270.05344	2.7
271.06009	2.0
273.04077	2.1
273.07584	18.5
278.05737	0.8
279.06607	1.6
281.04550	1.2
281.08066	1.7
282.05246	1.8
285.04041	2.5
291.06458	0.8
292.07355	0.8
295.06088	1.8
297.04013	2.1
297.07574	2.1
298.04706	6.1
299.05545	4.0
301.03561	2.6
302.04111	1.3
303.05035	2.5
306.05307	1.5
307.06201	1.0
307.09744	1.8
309.00977	0.6
309.07611	3.3
310.04535	1.0
311.05496	4.2
311.09225	1.8
313.03558	8.5
313.07089	1.7
315.05240	0.7
320.07025	1.0
321.07639	0.7
323.05453	1.7
324.06369	1.2
325.07059	2.7
325.10635	0.8
326.04230	2.5
326.07770	1.0
327.04999	5.8
327.08609	1.5
334.04800	1.0
335.05667	0.8
335.09116	4.2
337.07059	3.4
339.04904	1.4
339.08621	1.3
340.05817	1.7
342.07327	1.5
345.07770	0.7
348.06369	1.2
349.24576	0.6
353.10184	5.1
355.08145	64.2
356.08411	1.3
363.08606	5.3
371.11566	0.6
381.09711	19.6
399.10770	71.3
400.11203	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01878	7.9
55.05511	7.9
57.01785	1.6
57.03444	15.8
58.97398	1.5
59.05011	2.2
60.08172	3.1
60.62681	1.5
60.72552	1.4
61.02925	14.5
65.81644	1.4
67.05515	4.3
69.03089	2.7
69.03433	33.0
69.07074	31.0
69.07449	1.1
69.74058	1.3
70.06597	16.2
71.01342	2.9
71.04987	4.8
71.06950	2.0
71.07336	1.6
71.53273	2.3
72.08141	4.1
73.02918	67.0
73.06558	13.3
79.05509	2.7
81.03423	9.1
81.07046	4.1
83.04968	1.5
83.08655	2.2
84.04496	3.1
84.08138	4.6
85.02912	100.0
85.06538	1.7
86.09708	17.2
87.00829	3.6
87.04465	4.5
90.18518	1.6
91.03961	5.0
91.05486	4.5
93.07044	2.5
95.04959	3.0
95.08632	4.1
96.94286	1.5
97.02898	55.0
97.06557	3.1
97.17233	1.4
98.97574	4.2
98.98527	1.9
99.04449	5.7
99.08096	2.2
101.02370	1.7
103.03963	3.4
104.10745	3.5
105.01875	4.3
105.07031	3.0
107.08625	3.1
109.02888	11.0
109.06528	1.7
109.10211	1.8
110.07180	1.9
111.08131	1.6
113.35801	1.5
115.03930	22.8
115.06863	1.5
115.07594	9.4
116.07120	1.9
119.08589	2.3
120.08125	2.5
121.06483	2.3
123.08070	2.1
125.00005	6.1
127.03914	30.8
127.04825	2.3
128.70518	1.5
131.04942	1.8
131.08583	1.8
132.08098	2.6
133.04967	39.5
133.08606	12.1
134.31938	1.5
135.08047	1.7
136.06192	1.8
136.07590	2.3
137.09634	1.8
145.02872	2.0
145.04970	48.2
147.04427	7.1
150.07680	3.1
159.02972	1.6
163.06044	23.8
163.07402	2.9
165.09116	1.8
177.05513	3.3
182.08220	1.6
183.10197	6.3
183.13786	1.9
184.07347	37.4
193.05002	1.5
201.11243	3.7
207.40756	1.3
223.06065	7.5
231.12250	2.3
236.09319	1.9
236.12787	3.6
241.07072	7.8
249.03352	1.9
259.08148	16.0
277.09164	3.5
288.94839	1.6
295.10242	10.7
398.19257	2.9
399.16461	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	398.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	6.7
55.01883	11.2
55.05516	65.7
55.31263	5.8
55.69981	5.9
56.96556	18.6
57.03432	10.7
67.05524	42.4
69.03421	9.7
69.07059	25.1
71.53492	7.7
72.08150	12.7
79.05495	31.4
81.03476	7.7
81.07050	34.6
83.04958	11.1
83.08620	30.4
84.08193	6.7
85.02884	9.8
91.05502	63.2
93.07052	35.7
95.08652	13.1
97.10184	75.4
98.97566	9.0
101.02493	5.6
105.07023	12.5
107.04976	8.2
107.08606	42.9
109.10144	15.2
117.07022	28.0
119.08581	99.2
121.06528	5.5
125.09643	75.0
135.08051	18.4
143.08525	7.1
145.06496	23.1
145.10124	11.0
159.08060	19.2
161.09680	6.7
171.10219	7.2
189.11238	66.0
224.08121	13.5
227.12772	41.4
245.13867	29.6
265.14310	10.9
271.16995	56.0
274.15091	30.0
287.05521	16.2
289.17944	26.0
302.56717	7.0
321.11179	7.4
328.97455	6.9
345.20535	23.9
363.21704	100.0
363.58084	6.9
376.02121	6.1
398.25290	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	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.0
57.07058	14.1
58.00525	4.0
67.05515	21.2
69.07074	25.7
69.27204	29.3
71.08644	16.0
76.32730	3.0
79.05484	11.9
81.07060	54.2
83.08610	15.4
85.10178	6.0
91.05470	12.5
93.07056	26.0
95.08615	47.2
97.10156	13.4
105.07048	28.3
107.08617	20.2
107.79009	3.6
109.10181	32.5
111.11727	7.7
113.82314	2.8
117.06916	4.0
119.08591	26.5
120.06094	2.9
121.10132	15.9
123.11709	13.2
131.84479	3.0
133.10141	16.9
135.11694	30.3
137.13168	4.9
145.10130	4.7
147.11694	54.4
149.13255	15.5
159.11665	3.7
161.13264	39.2
163.14864	5.4
173.13152	3.8
175.14848	15.2
178.24010	3.5
189.16379	8.2
201.16393	7.9
203.17960	8.6
215.17903	8.6
229.19627	5.3
232.13780	3.7
243.21080	6.2
247.89398	3.0
257.22656	6.4
287.27344	7.2
301.29108	3.8
315.30280	3.6
340.10245	3.3
397.33142	5.8
397.38300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.2
56.59615	1.8
57.07080	14.4
67.05508	27.0
69.07069	26.0
71.07353	3.9
71.08646	14.7
79.05499	12.5
81.07067	46.0
83.08630	14.2
85.10191	8.2
89.24735	2.2
91.05503	10.8
93.07053	22.4
95.08622	42.6
97.10175	11.9
105.07046	27.0
107.08616	22.9
109.10168	34.6
111.11725	7.6
119.08596	20.3
121.10151	14.1
123.11708	10.3
125.13248	2.2
131.08589	3.8
133.10170	18.3
135.11710	32.2
137.13312	5.5
145.10098	4.6
147.11697	51.0
149.13275	12.2
151.14847	2.4
159.11717	6.3
161.13274	35.7
163.14841	5.8
165.16432	3.1
173.13309	3.4
175.14845	15.5
177.16440	3.3
184.59171	2.1
189.16432	7.9
201.16376	2.6
203.18015	8.4
215.17976	10.0
217.19519	4.1
229.19609	3.9
235.74631	2.3
243.21030	7.3
257.22766	8.3
261.25775	6.4
287.27304	4.8
397.38342	100.0
398.38419	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	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19354	1.2
53.03946	4.1
55.01881	7.3
55.05517	3.6
57.03439	7.0
57.07090	8.7
59.04716	3.3
59.05005	54.3
61.02919	5.9
67.05502	1.7
68.99785	2.0
69.03088	2.8
69.03436	38.1
69.07064	1.8
69.62788	6.9
70.06602	1.9
71.05006	3.9
73.02918	6.3
81.03424	23.2
81.07071	2.7
83.08636	1.7
84.08144	3.0
85.02911	100.0
85.06516	2.5
86.09707	3.2
87.00314	2.9
87.00838	48.8
88.72359	1.7
91.03918	1.7
95.08595	1.9
97.02909	30.9
97.06525	1.6
97.10156	2.1
98.97603	2.4
99.04455	10.5
105.01875	80.1
105.07066	2.9
109.02887	26.3
115.03951	1.9
115.11215	18.1
117.01875	2.8
122.57976	1.4
127.03930	74.8
128.04314	1.6
129.01855	3.0
133.08098	1.5
133.12245	11.6
142.32817	1.5
145.04965	28.4
147.02835	3.1
148.09708	2.8
153.01840	4.8
159.02922	9.4
182.04977	5.2
189.03952	2.3
213.03952	5.7
231.05023	25.1
231.10226	1.7
241.14397	1.6
243.72421	1.5
249.06018	8.1
266.10681	3.5
355.08112	12.6
380.27762	2.2
398.29282	3.0
399.10910	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	397.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
56.58978	0.6
57.03441	1.8
61.02641	0.6
67.05505	1.7
69.03429	1.2
69.07079	0.8
69.16398	6.7
79.05486	2.0
80.05014	6.6
81.03402	1.5
81.07056	2.4
83.04963	0.8
84.08153	0.9
85.02916	2.1
91.05473	3.2
93.07046	2.2
93.61355	0.6
95.04955	1.2
95.08630	1.7
97.06564	1.7
98.06063	1.9
98.97625	0.8
99.04385	0.7
101.06049	1.0
103.05505	0.8
105.07056	0.9
107.08600	1.4
108.08116	4.3
109.06542	0.6
110.09695	14.4
114.05547	1.9
115.05421	1.5
117.07020	2.1
118.06552	26.7
119.08636	1.5
121.10154	3.6
129.07056	0.8
130.06541	6.0
137.05994	9.7
137.08362	5.8
138.05521	8.8
139.06308	2.4
142.06558	2.4
143.07326	2.5
144.04492	0.8
144.07019	1.1
144.08096	15.7
146.06021	64.9
147.06348	0.9
147.11697	1.0
148.11157	0.9
151.07533	0.7
153.01851	1.2
159.07948	0.8
161.05995	1.3
166.12289	49.1
167.10799	0.7
168.08086	0.7
170.06010	5.1
175.07497	0.8
175.11223	0.9
181.10844	0.6
182.07259	0.8
183.07903	0.7
184.11215	4.3
185.09708	0.6
188.07083	39.9
192.13844	1.3
197.09828	1.0
199.07571	1.3
210.14905	79.3
211.15308	1.0
213.09210	1.5
215.10686	1.0
224.12880	3.0
225.09235	0.9
236.16458	1.4
243.10254	1.3
245.09721	0.9
250.14430	3.6
257.17563	1.7
268.15500	10.6
269.70691	0.8
273.11267	6.2
312.18845	0.9
321.11002	0.7
331.20020	0.7
351.12503	0.8
353.18753	3.5
354.14728	2.1
362.82550	0.6
367.15567	0.7
379.08044	0.6
397.16653	10.1
397.21298	100.0
398.21744	3.4
417.33939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.3
56.96562	3.6
57.03432	2.3
60.04521	1.8
61.02906	2.0
69.03408	3.3
69.07062	1.3
70.06602	14.2
71.52123	1.6
73.02922	1.9
81.03417	1.5
84.08139	4.8
85.02924	6.8
86.09702	5.7
97.02898	2.0
98.97584	10.1
100.07645	1.8
107.04987	2.2
107.44646	1.3
109.02888	1.3
110.07164	3.9
110.97587	2.8
112.07658	1.6
112.99123	8.8
116.98631	2.6
119.04976	1.3
124.05062	1.8
127.03944	2.7
130.08687	2.5
131.00177	6.3
132.95885	2.2
135.04457	2.3
136.06195	100.0
145.04909	1.5
148.01212	1.5
152.04549	2.7
157.09767	3.1
158.99687	4.6
163.02696	2.1
163.03958	5.7
177.00801	1.5
179.05701	1.4
185.09305	2.5
193.03809	1.5
198.96832	1.8
204.80026	1.4
213.12413	5.6
219.01802	5.6
234.98979	2.0
235.04779	1.7
235.10773	1.6
237.02896	4.7
251.07684	1.5
253.05605	2.6
268.07584	3.0
268.10400	28.2
277.00018	5.3
291.07501	1.6
307.04709	1.5
310.17697	1.6
337.08054	6.1
353.08478	2.2
355.09045	2.9
397.06705	8.3
397.15628	4.2
397.21094	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1649
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.03934	1.3
55.01861	1.5
55.05495	0.8
65.03946	1.2
67.05496	2.7
69.03419	2.4
70.06590	1.2
71.52639	1.1
72.08150	1.0
79.05489	3.9
81.03411	0.9
81.07053	3.0
83.04993	1.1
84.08143	3.1
85.02899	2.9
86.09712	3.9
91.05502	9.7
93.07033	2.1
94.04212	1.8
95.04959	2.1
95.08642	1.2
97.06554	1.5
103.05466	2.6
105.07033	3.9
107.04962	1.8
107.08594	1.8
109.02872	1.0
109.06521	2.6
111.04466	0.9
115.05471	0.9
117.06999	1.6
119.04956	6.7
119.08569	1.6
120.92374	0.9
121.06501	2.3
122.03661	4.7
128.06236	2.3
129.06973	4.1
131.04926	2.4
131.08597	7.2
133.10156	2.4
135.04391	1.3
135.08076	1.4
137.05989	69.9
141.07001	3.6
142.07788	1.3
143.08617	2.3
144.05647	1.9
145.06474	2.4
146.05994	1.1
146.94463	0.9
147.04436	2.2
149.05977	3.9
151.03961	0.9
151.07556	8.6
153.07056	1.8
154.07753	1.5
155.08553	2.7
157.06479	3.2
157.10136	1.8
158.07271	2.5
159.08076	7.0
161.04799	1.3
161.06000	10.2
161.09648	3.2
163.07524	1.1
163.11198	1.0
165.06989	3.5
167.08577	2.6
168.05760	0.8
169.06476	2.4
169.10141	1.4
170.07253	2.0
171.08058	3.5
172.05130	0.9
172.08875	3.7
173.09633	2.4
175.07541	3.1
177.12773	1.1
181.06519	2.3
182.07300	6.2
183.08060	2.3
184.08743	1.5
185.05994	1.9
185.09622	8.8
187.07564	8.5
187.11189	2.3
189.09042	2.4
189.12863	1.5
191.07030	6.0
194.07281	2.1
195.08084	1.8
197.06003	2.0
197.09665	8.3
198.06787	10.8
199.07544	8.6
199.11215	1.7
200.08369	2.5
201.09070	4.8
202.07803	1.2
203.10725	1.4
205.08606	2.4
210.06778	2.6
211.07584	3.6
212.08328	2.4
213.09135	16.7
213.11086	1.7
215.07008	1.1
215.10608	6.6
217.08383	1.2
217.10271	1.6
217.12135	1.0
224.08243	1.0
225.09081	9.5
227.10674	2.1
229.08620	2.8
231.08060	2.2
231.10147	1.2
233.09659	1.7
235.13383	1.8
242.09492	1.1
243.07954	2.1
243.10141	16.5
245.09630	3.3
245.11845	2.0
246.10281	1.6
247.07637	2.1
248.08310	1.8
249.09018	1.4
252.09540	1.4
253.08629	1.0
255.10246	6.6
257.09717	2.8
257.22479	0.9
258.06750	1.2
258.10406	1.0
259.07532	1.8
260.08414	2.0
261.09064	4.8
262.06003	0.9
262.09860	1.3
263.10559	1.3
264.07727	2.0
265.08566	3.3
271.07574	3.0
272.08316	0.9
273.11285	50.4
274.09711	1.9
275.07248	1.4
275.10727	2.9
276.07840	2.3
277.08609	2.9
277.12323	1.1
278.06479	0.8
278.09393	2.1
285.09067	2.8
286.09860	1.6
287.07037	2.2
287.10513	1.3
288.07877	1.7
289.08578	3.4
289.12219	2.6
290.09390	1.4
291.10175	7.6
292.07227	2.5
292.10803	2.1
293.08072	3.9
293.11740	3.7
294.08954	1.2
301.08536	1.8
302.09424	2.2
303.06903	1.2
303.10031	4.6
304.10812	1.0
305.08170	1.9
305.11740	2.7
306.08829	1.1
307.09665	11.0
308.10321	4.5
309.11026	1.5
315.10083	1.0
316.10962	1.0
317.11752	4.3
319.09756	2.9
319.13336	1.5
320.10519	2.0
321.11203	5.9
322.11871	1.5
323.12601	1.1
325.10678	2.2
329.11719	1.2
332.10611	1.1
333.11328	2.8
334.12054	2.2
335.12775	6.4
336.13550	4.4
337.14368	1.4
339.12268	3.4
347.12869	1.0
348.13623	1.4
349.14468	5.9
351.12207	11.6
353.13806	2.9
354.14609	18.3
365.13910	1.1
366.14911	1.3
367.15424	4.6
379.15335	13.9
397.16495	100.0
398.16751	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	396.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01879	4.8
55.02111	0.6
55.05516	1.4
57.03443	5.1
57.07073	2.1
61.02935	6.1
63.28998	0.6
67.05508	1.3
68.65219	0.6
68.99801	2.3
69.03432	35.9
69.07073	1.8
70.06567	0.9
71.05001	4.6
71.08627	1.8
73.02912	5.5
74.98927	0.6
81.03421	23.9
85.02908	100.0
86.09700	1.3
87.00832	42.3
87.04480	1.1
91.03959	1.6
95.05027	0.8
95.47581	0.7
97.02896	32.4
98.97568	0.7
99.04461	12.3
100.11251	3.9
101.02370	1.3
102.09207	0.8
103.03947	1.2
105.01869	73.1
108.04476	1.1
109.02133	1.6
109.02884	28.0
111.04442	1.4
115.03939	1.5
117.01859	2.2
117.02612	0.7
126.05538	0.8
126.09134	0.7
127.03922	80.4
129.01872	2.8
145.04967	36.2
147.02888	2.1
152.28835	0.6
159.02884	13.1
168.13853	3.7
170.74165	0.7
171.02888	1.2
177.04002	1.1
184.16991	1.7
189.03986	3.3
196.13341	3.5
201.19655	0.9
210.14909	0.8
213.03998	3.3
230.06723	0.8
231.05009	29.6
236.40359	0.7
248.07710	0.8
249.06082	8.4
311.02719	0.7
311.23410	1.7
378.31210	1.1
396.32184	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	396.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01876	1.4
55.05508	4.1
57.03432	1.7
57.07069	2.9
59.04996	1.1
61.02930	1.0
67.05501	1.5
69.03425	4.5
69.07072	22.1
69.84511	2.8
69.84936	1.4
70.06592	2.0
71.04982	2.4
72.08149	1.2
73.02922	0.9
79.05491	1.4
81.03414	3.0
81.07066	5.6
83.08591	1.0
84.08163	1.6
85.02915	11.8
85.06553	2.0
86.09731	1.5
87.00853	5.0
89.69310	0.7
91.05453	2.0
93.07052	7.2
95.04948	0.8
95.08623	9.9
97.02888	3.3
97.06533	2.9
98.20799	1.0
98.97565	1.3
99.08073	1.3
101.05991	1.4
101.20889	0.8
103.03922	2.0
105.01852	1.8
105.07007	2.7
107.08595	5.8
109.02878	2.2
109.10134	1.5
111.08062	1.1
111.11729	13.7
113.05950	1.4
113.09633	1.7
119.08562	1.1
120.08083	1.2
121.06455	1.0
121.09338	1.4
121.10154	20.1
121.11021	1.0
123.08073	3.0
125.05986	1.6
127.03893	3.5
127.07558	4.3
128.04276	1.2
131.10655	2.0
135.11723	5.6
137.09615	0.8
137.13254	1.6
139.07562	1.7
139.11191	56.6
141.09109	4.9
143.07066	1.7
145.04973	1.7
153.12688	2.0
155.10744	1.0
155.14357	6.5
159.08185	0.8
163.11234	4.0
173.15424	2.2
181.12242	19.1
199.13310	100.0
217.14360	3.5
231.05042	1.4
256.00101	0.8
267.16696	1.2
268.17212	1.9
275.04892	1.0
396.16898	1.4
396.21844	26.4
397.22559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64150	1.8
52.34401	1.9
53.03966	2.2
53.91331	2.0
55.05507	6.3
56.32525	2.1
57.07081	12.9
59.79660	2.5
67.05512	17.3
67.83057	1.9
69.07066	16.8
69.85318	2.3
70.82478	6.6
71.08626	15.0
79.05483	11.0
81.07058	44.7
83.08612	9.1
85.10190	11.0
88.05340	2.1
91.05486	14.3
93.07058	14.3
95.08615	27.8
95.65287	2.1
97.10158	9.8
105.07040	21.2
107.08601	14.7
109.10162	12.8
111.11728	6.1
117.07013	11.2
119.08586	11.2
121.10166	8.5
123.11723	6.3
125.13223	3.9
129.07019	3.9
131.08575	18.8
133.10147	26.7
133.85843	2.1
135.11710	9.5
137.13275	3.5
143.08543	4.7
145.10120	36.5
147.11685	21.5
149.13275	3.1
157.10112	8.2
159.11697	35.6
161.13251	5.9
163.14847	3.8
171.11519	2.5
173.13220	14.8
175.14731	3.6
179.18034	2.8
185.13306	5.8
187.14799	5.0
189.16463	2.4
199.14862	6.9
201.16389	2.4
208.85254	2.6
213.16362	7.8
215.17896	2.7
227.17891	2.7
241.19531	6.8
255.21104	4.3
266.69720	2.4
275.27365	2.3
297.25775	2.7
385.56567	2.6
389.61850	2.3
395.36752	100.0
396.37079	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.4
55.64809	14.2
56.96568	27.0
66.22984	17.6
67.05508	15.7
67.74015	13.0
69.74097	13.4
69.89149	54.7
76.70938	12.2
79.05472	20.7
81.07043	18.5
82.90239	13.1
93.07049	18.4
95.04967	30.6
95.08609	24.2
97.06551	28.6
98.20695	14.3
98.97602	20.4
105.07021	20.0
107.08604	16.7
119.08594	16.8
122.17572	13.0
133.10103	15.2
169.71432	13.0
201.04822	13.1
332.12234	15.5
335.20352	18.7
395.10800	16.4
395.21945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	12.2
69.03426	19.3
69.07066	34.2
70.06590	19.6
70.55534	18.8
70.55905	5.4
71.04995	22.1
72.82837	4.7
81.07059	5.9
81.91477	5.5
84.96038	8.1
85.02927	28.6
86.09703	8.0
87.00803	9.2
91.05485	15.6
93.07007	7.7
95.05006	5.6
97.02885	8.0
97.96819	7.2
98.97565	39.4
105.07043	7.1
106.26716	5.0
109.02866	7.7
110.97570	11.9
111.04357	6.5
111.11723	15.3
116.98622	12.5
119.08504	5.0
121.10092	6.2
127.03913	11.5
128.98633	6.3
129.12788	13.4
147.41133	6.2
158.99593	5.6
170.99681	6.3
184.97852	5.9
189.02376	5.8
197.19647	6.0
207.03287	9.7
210.90088	5.2
219.01675	26.5
237.02835	29.0
287.05688	6.7
309.06354	25.4
327.03928	8.3
327.07538	100.0
345.04526	22.7
351.07581	7.4
369.08661	7.6
395.07541	67.4
395.12595	9.4
395.17178	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	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.3
55.05511	27.4
56.96574	7.3
57.03440	16.6
57.07074	17.0
59.04993	4.9
61.02927	9.6
67.05502	22.7
69.03431	68.8
69.07072	68.2
70.06596	7.7
71.05003	12.0
71.08625	16.5
71.54707	7.3
71.75883	4.6
71.88178	5.2
73.02931	27.3
73.06551	13.1
79.05500	18.3
81.03426	52.4
81.07073	28.5
83.04995	13.3
83.08619	11.5
84.04555	5.9
84.08137	12.5
85.02909	100.0
85.06561	6.2
85.10214	5.8
87.00829	37.7
91.05492	22.6
93.07047	30.4
95.04959	9.7
95.08605	21.2
97.02888	41.4
97.06556	11.2
98.97559	10.3
99.04465	19.3
105.01857	44.9
105.07040	47.2
107.04956	9.9
107.08616	15.5
109.02866	44.0
109.06531	10.9
109.10155	11.1
111.04497	7.0
111.11713	60.6
116.98631	7.1
117.07038	8.0
119.08586	10.4
121.06548	11.7
121.10131	7.0
123.11726	9.2
127.03924	88.3
129.12755	86.9
131.08560	10.8
133.10150	7.0
135.08029	10.6
137.06021	6.8
143.08568	11.7
145.04961	16.3
145.10114	46.6
147.11710	7.5
147.13815	7.3
157.10121	6.0
159.08051	6.8
159.11700	19.0
161.09627	7.6
161.13280	5.8
162.02365	5.0
162.05542	10.6
163.11215	19.2
169.10118	8.0
173.09627	23.1
187.11250	28.8
191.10680	9.5
191.14453	9.7
194.08177	15.2
197.09538	7.1
205.12234	14.3
215.10670	19.2
219.10136	5.4
231.04956	33.3
233.11658	25.5
251.12830	6.8
254.10300	12.4
287.05603	21.6
332.41586	6.2
341.16010	5.4
345.04565	20.0
395.16962	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01870	2.6
55.05515	4.2
56.96565	2.2
66.94202	0.9
67.05496	4.0
69.03423	3.1
69.07061	3.1
69.44695	8.1
70.06602	5.8
72.08172	6.1
74.97136	1.0
79.05489	3.5
81.03422	3.6
81.07063	11.2
83.04993	1.2
83.08618	1.1
84.04495	1.3
84.08139	3.1
85.02911	5.8
86.09725	10.5
91.05488	10.8
92.05825	1.3
93.07036	3.6
95.04951	1.3
95.08604	2.7
97.02921	2.0
97.06560	1.9
98.97601	4.2
99.04465	2.1
105.07050	1.9
107.08607	2.2
109.06562	5.8
109.10155	4.2
114.05550	1.5
116.07078	1.1
119.08570	1.8
120.08099	5.4
121.06458	1.2
121.10213	1.2
123.04456	1.2
125.06005	20.4
127.03936	8.8
130.06514	1.5
133.10143	2.6
136.07597	8.7
137.05991	100.0
137.09595	1.6
143.08594	1.4
145.04997	1.5
147.04442	1.9
161.09628	2.9
163.03838	1.5
179.10684	51.1
183.06525	1.1
185.01045	1.1
197.11752	77.5
233.16483	1.9
235.14423	1.7
249.16013	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43452	1.8
53.03936	8.0
55.01865	8.9
55.05515	13.0
56.96552	3.5
57.03427	8.8
61.02936	9.5
67.05506	13.4
68.99794	2.0
69.03093	3.0
69.03437	44.4
69.07076	76.4
69.20303	18.4
69.69237	1.6
71.01373	2.3
71.04994	14.2
73.02927	9.4
79.05487	4.7
81.03422	28.0
81.07065	28.0
83.04990	5.4
83.08620	9.4
83.86015	1.8
85.02911	100.0
85.06552	6.4
86.09748	2.1
87.00841	37.5
91.03973	2.1
91.05473	8.8
93.07040	9.1
95.04983	3.6
95.08617	27.7
97.02904	38.7
97.06525	7.1
97.10155	3.7
98.20818	5.0
98.97577	4.9
99.04457	11.5
99.08069	5.9
105.01882	33.3
105.07042	13.5
107.04930	1.9
107.08583	9.2
108.04476	3.9
109.02895	27.1
109.06506	4.0
109.10139	6.2
111.04449	4.1
111.08085	18.2
111.11735	21.0
115.03918	3.7
117.01843	2.9
119.08612	14.8
121.10149	6.1
122.14460	2.2
123.08062	3.3
123.11704	4.7
125.09602	2.7
127.03928	53.0
127.11195	7.2
129.06944	2.1
129.12761	13.7
133.10178	10.1
135.08043	2.9
135.11713	10.4
137.13232	6.3
139.07529	4.4
139.11166	4.5
141.09120	2.1
141.12730	8.0
143.08527	2.5
145.03929	2.7
145.04987	25.7
145.10231	3.7
147.02846	2.9
149.09618	2.6
151.11227	3.0
159.02913	13.8
161.13278	33.5
168.78427	2.5
169.12297	4.5
173.13321	3.0
177.12813	3.4
179.10710	5.5
179.14339	43.7
189.03998	3.5
195.13696	2.4
197.15408	20.5
201.12750	4.0
213.04047	3.1
215.16431	3.2
219.13834	8.5
231.05011	12.1
237.14934	11.0
249.06073	3.2
255.15858	3.5
291.91937	1.9
297.16907	4.9
313.03455	2.6
323.14923	18.2
341.15887	2.9
347.00607	2.2
373.08694	5.1
373.58743	2.6
382.09424	3.1
394.25946	2.9
394.31058	3.4
399.10730	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	394.1974
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
55.05511	1.2
60.89775	0.5
69.44328	4.2
70.02953	2.5
70.06601	7.3
72.08158	1.4
79.05494	0.7
84.04512	1.2
84.08154	0.7
85.02888	0.7
86.09705	15.0
87.10081	0.7
88.03988	8.4
91.04928	0.7
91.05483	10.7
93.07037	1.8
95.08643	0.9
97.06567	0.7
98.02441	2.9
103.05461	4.2
104.07137	0.6
105.07010	2.7
109.10171	1.4
110.08482	0.6
116.07102	1.1
119.07340	2.2
120.08107	100.0
121.08463	0.7
127.73959	0.5
129.07005	0.8
130.06529	27.1
132.10208	5.4
144.08101	8.2
147.09189	0.9
148.07584	0.8
158.05928	0.7
172.07585	8.7
175.08685	18.4
176.07095	1.4
182.06126	0.6
190.08640	9.4
196.17807	0.8
200.07059	1.5
213.12279	0.8
214.18774	0.7
217.09706	5.1
218.08173	2.4
235.10774	95.0
236.11115	1.2
245.09128	1.1
246.07610	0.9
263.10284	20.9
279.17053	3.0
290.11588	0.7
326.56586	0.7
330.17996	1.2
350.12756	0.7
376.18484	0.8
394.11984	4.7
394.19901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1977
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
55.01869	1.0
55.05510	4.0
56.05033	1.8
57.84494	0.7
67.05504	2.2
69.03442	2.2
69.07051	1.8
70.06593	3.4
71.05006	1.0
71.53480	1.3
72.08161	35.1
73.02921	1.1
79.05479	1.8
80.53891	0.8
81.03402	2.0
81.07057	3.1
83.04964	0.9
84.04516	9.7
84.08144	2.7
85.02907	5.5
86.09710	37.1
91.05486	2.6
92.04987	0.8
93.07048	3.0
95.04966	1.5
95.08596	1.5
96.08128	1.6
96.14607	0.8
97.02889	2.3
97.06499	1.1
98.97587	2.0
100.07600	1.2
102.05528	6.9
103.05458	3.4
105.07050	1.7
106.06533	2.4
107.07357	4.6
107.08559	1.4
108.08109	2.2
109.06514	1.5
109.10168	1.8
111.04548	0.8
111.38620	0.7
114.09190	0.8
116.07032	1.0
118.08672	6.5
119.08611	1.1
120.08112	100.0
121.08470	2.2
121.10149	1.0
124.07578	4.5
124.11261	0.8
125.00008	1.7
127.03899	2.3
129.10260	1.3
133.10095	1.5
134.09680	3.8
135.10443	19.6
135.11545	1.5
136.07571	1.1
136.11200	2.0
137.05998	9.8
137.09616	1.2
138.09152	1.8
145.04939	0.9
147.11632	0.7
148.06076	0.9
150.12778	1.4
152.14357	1.5
156.10202	1.2
161.09622	1.8
166.08661	9.1
167.09422	1.1
173.13158	0.9
177.05496	1.3
178.15912	14.9
179.10669	4.9
180.17503	3.4
183.11293	4.3
185.16542	3.5
186.09132	3.1
196.16992	20.5
197.11729	8.3
201.12343	9.9
211.10811	1.3
213.16003	2.2
214.15913	3.2
215.12679	1.0
219.14983	4.5
222.18579	3.1
229.11829	5.8
231.11302	5.7
232.16928	2.1
233.16492	23.9
240.19580	17.2
247.12889	3.2
249.12335	4.7
259.10693	2.1
261.16071	7.7
265.15402	1.3
276.13687	1.2
277.11777	2.4
350.17206	6.6
374.99915	0.9
376.11929	1.1
376.18967	1.0
394.20209	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05503	10.9
57.07076	15.3
67.05512	17.5
69.07067	24.8
70.52949	5.7
70.53306	7.3
71.04980	3.4
71.08633	8.0
72.57065	2.9
79.05493	17.7
81.07066	37.1
83.08617	5.5
83.94328	2.4
83.98175	2.7
85.06540	4.2
85.10188	2.8
91.05479	16.8
93.07045	37.2
95.04958	11.5
95.08611	27.5
97.06527	7.2
98.98466	15.0
101.09652	10.2
101.85728	2.7
103.31731	2.4
105.04539	2.8
105.07030	30.7
107.08607	33.5
109.06522	7.5
109.10162	17.6
117.07019	9.3
118.95970	2.8
119.08591	33.1
121.06493	6.5
121.10146	22.3
123.08052	7.0
123.11699	6.1
129.06976	2.6
130.07800	3.4
131.08597	13.5
131.09447	2.7
133.10153	18.6
135.08046	32.2
135.11696	11.8
135.66663	3.4
139.07510	4.9
142.07750	4.8
143.08543	9.3
145.10155	20.9
147.11687	11.7
149.09669	6.4
149.13278	3.1
155.01056	25.1
155.08562	4.3
155.11655	3.0
157.10120	14.9
159.11662	14.0
161.09654	7.5
161.13292	4.2
163.11215	4.0
163.14737	2.9
165.09138	15.0
165.12704	3.2
171.11705	11.0
173.13248	5.8
175.11214	4.1
175.14818	7.7
176.81787	3.0
177.12752	12.5
181.15944	6.7
183.11671	6.1
185.13205	5.5
187.14827	4.9
197.13271	4.7
199.14816	5.4
201.16417	5.1
209.13251	3.3
209.15338	3.6
213.16469	3.2
221.13425	3.3
305.21042	3.3
361.27362	100.0
393.29633	17.1
393.35144	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	393.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58761	0.8
51.99953	0.9
53.03945	1.5
55.05516	7.6
55.84510	1.0
57.07075	7.5
59.05010	1.9
60.55544	0.7
61.31066	0.8
67.05510	11.6
69.03423	1.5
69.07072	19.3
70.70979	2.0
71.04976	1.5
71.08624	2.2
79.05503	11.3
81.07063	18.4
83.04989	2.2
83.08644	4.1
85.06548	2.3
85.10168	1.5
91.05487	11.9
93.06488	1.5
93.07050	24.1
95.04977	7.4
95.08613	14.5
97.06521	2.8
97.10187	2.1
98.98479	3.7
101.09665	7.4
105.07039	18.3
107.08608	19.9
109.06525	7.7
109.10169	7.9
111.08068	2.0
115.14300	0.9
117.07020	3.0
119.08595	15.3
121.06505	3.6
121.10150	12.3
123.08076	4.6
123.11688	4.0
125.09647	1.8
128.06223	1.0
129.07019	2.3
130.07782	1.2
131.08571	8.9
133.10149	10.4
135.08063	31.7
135.11687	8.0
137.05995	2.4
137.09650	1.3
139.07552	3.5
142.07784	3.0
143.08551	6.3
144.09351	1.7
145.10124	10.9
147.11702	7.3
149.09642	4.3
149.13274	4.0
152.08308	2.2
155.01050	6.8
155.08527	2.2
156.09373	1.6
157.10129	9.8
159.11690	10.4
160.36600	0.9
161.09608	4.1
161.13274	3.1
163.11203	1.4
163.14822	1.2
165.09120	10.5
165.12798	3.4
167.08476	1.1
169.10135	3.2
171.11714	5.6
173.13286	5.5
175.11200	2.2
175.14853	3.0
177.12749	12.7
179.14320	3.4
181.15865	4.3
183.11716	3.3
185.13293	2.2
187.14851	1.7
189.12688	1.0
191.14317	4.0
195.11742	2.1
197.13336	2.6
199.14827	1.8
201.16432	2.2
203.14432	1.2
205.16002	1.1
207.11613	0.9
209.13368	1.6
209.15381	3.9
213.16360	2.0
215.17946	1.0
221.13327	0.9
223.14807	1.9
229.17882	1.5
235.14847	1.2
283.20450	0.9
301.25269	0.9
305.21075	1.6
311.27493	1.2
319.22943	1.4
329.24783	2.1
349.27048	3.0
361.27380	100.0
362.27979	1.1
376.25897	1.2
393.23868	0.8
393.29758	8.8
393.35159	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2485
Annotation	Turpinionoside C
Peak:m/z	Relative Intensity
53.03944	1.9
55.01876	1.2
55.05512	7.9
57.03435	1.7
57.07064	4.0
59.06645	1.1
67.05515	9.1
69.03423	3.0
69.07070	13.3
69.99613	4.3
70.06591	1.7
71.04974	2.9
71.08639	1.2
76.35731	1.1
79.05498	8.5
81.03419	3.6
81.07060	27.5
83.04951	1.3
83.08619	12.0
84.08137	1.9
85.02908	8.2
85.06544	7.0
86.09705	3.9
87.00846	1.2
91.05477	3.7
93.07048	20.0
95.04949	1.6
95.08614	48.4
97.02874	2.6
97.06532	1.8
97.10188	6.6
98.21467	1.0
98.97575	1.4
99.04430	1.2
99.08111	5.8
101.95643	1.0
103.77290	1.0
105.07008	3.8
107.08597	31.8
109.02881	1.0
109.10164	23.6
111.08056	2.6
111.11733	2.5
119.08495	1.2
120.08091	1.4
121.10149	43.9
121.11037	2.2
123.11695	8.1
125.09622	1.6
127.03906	1.8
127.11202	1.4
133.10252	1.0
135.11691	13.2
137.13268	6.7
139.11174	2.2
145.12239	1.3
146.05986	4.2
149.13275	4.6
151.14854	2.5
165.16386	4.4
177.16396	100.0
178.16832	1.3
183.17422	8.1
195.17458	48.8
213.16501	1.2
213.18520	20.6
231.19577	47.2
232.20047	1.2
236.19955	1.4
387.09271	1.0
393.24384	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01883	3.6
55.05514	16.7
57.07073	5.5
59.04966	2.6
65.03934	5.1
67.05190	2.8
67.05514	32.7
69.07077	18.7
69.73663	10.2
71.04984	4.1
72.12561	2.0
79.05071	3.1
79.05493	35.6
80.90836	2.1
81.06589	4.1
81.07062	64.5
83.04977	5.2
83.08614	8.3
85.06539	4.4
91.05488	48.9
93.07048	76.8
95.04980	48.4
95.08613	44.5
97.06545	11.9
98.21471	4.3
103.05470	3.8
105.04556	2.1
105.07037	100.0
107.08609	54.9
109.06513	14.5
109.10165	32.1
115.05460	4.9
115.64703	2.2
117.07008	18.4
119.08591	95.3
121.06506	18.5
121.10152	38.3
123.08080	10.9
123.11701	8.9
128.06244	11.0
129.07025	15.0
130.07733	6.9
131.08583	42.5
132.09343	2.9
133.10139	51.2
135.08043	3.3
135.11722	19.4
137.09662	2.6
141.07004	8.1
142.07805	19.7
142.95816	2.3
143.08568	28.8
144.09358	10.8
145.06474	3.5
145.10139	70.7
146.10791	2.0
147.08012	6.3
147.11688	22.0
149.09602	3.3
149.13252	4.4
154.07809	5.0
155.01041	2.9
155.08559	13.8
156.09364	9.3
157.10138	56.9
158.10866	5.1
159.08076	2.6
159.11717	45.2
161.09605	17.1
161.13213	6.9
163.11224	4.5
165.06979	2.8
166.07710	2.4
167.08574	6.6
168.09282	4.4
169.10150	22.9
170.10947	8.0
171.11714	23.0
172.12444	3.4
173.09665	4.7
173.13249	19.7
175.11174	11.9
175.14879	17.0
179.08490	5.5
180.09372	3.0
181.10103	8.0
182.10854	4.3
183.11650	18.2
185.09694	3.1
185.13261	15.4
187.11205	6.9
187.14844	13.0
193.10100	5.5
194.10942	6.8
195.11696	9.6
195.22842	2.2
196.12453	3.9
197.13295	13.6
199.14862	9.0
201.12704	4.5
201.16356	6.2
207.11734	5.7
208.12379	2.7
209.13237	10.7
210.13943	2.7
211.14828	9.4
213.12747	3.6
213.16420	4.5
215.14374	3.1
220.12404	3.7
221.13208	3.6
223.14851	5.3
225.16403	5.2
229.10040	3.2
229.41379	2.2
235.14757	3.6
237.16383	4.5
251.18008	3.5
253.15794	5.7
253.19470	3.9
263.17981	3.1
265.19504	4.3
295.20428	3.1
319.20584	2.6
375.26862	5.4
393.27643	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	23.8
67.05501	1.7
70.24954	5.4
71.95253	4.4
72.31516	1.4
72.96037	2.5
75.07990	1.1
79.05515	1.3
81.07023	2.3
91.05491	1.5
93.07041	2.2
95.04940	1.6
95.08624	2.2
97.96771	1.4
98.97572	1.8
105.07021	1.7
110.97566	13.4
114.16228	1.3
115.97890	1.4
121.10078	1.6
128.98601	12.4
143.00179	1.3
146.99638	4.8
161.01152	1.7
185.04889	1.4
185.13451	1.4
214.16234	1.4
223.14668	1.4
232.65131	1.5
241.11333	1.6
263.09647	3.1
303.12643	1.8
315.16302	59.9
331.15598	2.4
333.17398	100.0
334.17688	4.5
351.18411	18.5
356.18985	18.0
374.19937	4.6
393.22189	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76479	0.4
55.01854	0.4
55.05506	1.3
57.03411	0.5
58.99591	6.7
67.05505	2.4
69.07062	1.3
71.04980	0.8
71.52824	0.4
76.02239	3.2
76.04002	1.2
79.05485	1.5
81.07059	6.0
83.04984	0.7
83.08624	1.3
85.02915	0.6
85.06534	1.3
86.99062	3.9
87.62277	0.4
88.02212	1.8
91.05476	1.5
93.07039	1.6
95.08608	6.5
97.06535	1.5
97.10200	0.6
99.08084	0.7
105.07020	1.4
107.08587	1.4
109.10150	1.0
111.08141	0.5
111.52138	0.4
114.50084	0.4
116.01682	20.0
119.08565	2.9
121.10167	1.2
123.08147	0.6
130.05002	0.5
133.10138	2.2
135.11740	1.0
137.09610	0.4
137.13258	1.2
144.01157	8.7
145.10077	0.6
159.11697	0.6
161.13263	5.2
162.02213	32.3
166.05339	0.3
179.14316	4.2
185.04207	0.4
197.15382	5.5
199.30827	0.4
203.34703	0.4
213.18518	0.5
215.16469	2.1
221.99649	0.4
243.08723	0.4
253.28065	0.4
272.16766	0.9
273.15085	1.0
300.16193	0.7
340.15820	1.3
358.16946	1.8
376.17902	3.7
393.18835	100.0
394.19269	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	393.2134
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01872	0.4
55.05507	0.7
61.39565	0.3
67.05513	1.6
69.03437	1.3
69.07065	0.8
69.36904	2.3
70.02975	0.3
70.06594	1.0
71.05005	0.5
72.08140	0.5
78.24207	0.3
79.05496	1.1
81.03416	2.0
81.07050	1.1
83.04968	0.4
83.08639	0.3
84.08110	0.3
85.02914	1.2
85.06544	0.5
86.09709	100.0
87.00851	0.3
87.05592	4.4
87.10033	0.4
91.05472	1.5
93.07035	1.4
95.04968	1.1
95.08627	0.8
97.02898	0.9
97.06523	0.4
98.21446	0.7
98.97604	0.3
103.05471	0.9
104.07143	0.3
105.07042	1.4
107.08601	0.8
109.02879	1.8
109.06534	0.4
109.10170	1.2
111.04440	0.4
115.05031	2.4
117.07027	0.9
119.08588	0.7
120.08110	17.2
121.06509	0.4
121.10168	0.6
123.08068	0.4
126.18618	0.3
127.03928	0.7
127.11178	0.4
129.07033	0.5
130.06575	0.4
131.04942	0.6
131.08578	1.1
133.06497	0.5
133.10147	0.6
135.11731	0.4
141.10147	0.4
143.08597	0.7
143.11824	1.7
145.06543	0.4
145.10109	1.4
147.04417	0.6
155.11833	0.6
157.10132	0.5
159.11668	0.5
161.06006	0.8
161.09602	0.4
163.11195	0.4
166.08650	6.8
168.09245	0.3
171.11472	0.4
173.13252	0.9
175.11053	0.3
177.16441	0.4
183.06755	0.3
183.11320	1.5
189.05481	0.5
200.13945	4.9
201.12561	1.3
226.07294	0.3
228.13445	9.9
231.17496	0.4
234.12402	0.6
241.09793	1.4
242.10577	1.1
243.11293	0.3
255.11337	1.2
256.12173	0.8
262.11816	0.4
273.14890	0.8
279.17068	4.9
283.10889	0.8
284.11642	0.5
289.14255	0.4
301.11456	0.6
301.14407	1.8
302.12686	0.6
347.11017	0.4
347.21365	0.4
361.10489	0.4
363.18097	0.9
375.18875	0.4
393.11288	1.2
393.18906	1.7
393.23962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1888
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
53.04210	0.5
55.01854	0.9
55.05501	1.1
56.96566	0.9
57.03419	0.8
58.99574	2.0
61.02932	0.6
67.05500	1.9
69.03431	2.6
69.07063	1.3
69.77242	2.8
71.04982	0.9
73.02890	0.6
76.02215	0.6
79.05502	0.9
81.03440	3.4
81.07081	2.6
83.04948	0.7
83.08639	0.9
84.08119	0.7
85.02910	4.1
85.06548	1.3
86.09708	1.5
86.99063	0.9
87.00894	0.5
88.02217	0.6
91.05482	1.9
93.07046	1.2
95.04964	1.5
95.08610	3.1
97.02883	1.4
97.06529	1.3
98.97574	0.8
99.04465	0.6
100.11265	0.5
103.05506	0.6
105.07025	2.4
107.04962	0.7
107.08614	0.9
109.02872	1.3
109.06518	0.8
109.10157	0.8
116.01684	5.0
119.08575	1.4
120.08133	0.9
121.10165	0.6
122.06009	1.5
123.08012	0.7
127.03923	1.4
128.98630	0.6
129.07034	0.6
131.04953	0.6
131.08563	1.4
133.06468	0.5
133.10123	1.0
144.01151	2.0
145.04916	0.6
145.10135	2.0
159.11630	1.0
161.05969	0.8
161.13268	1.7
162.02220	6.7
167.07027	0.5
171.06711	0.7
173.05984	0.8
173.13252	1.2
179.14322	1.2
184.07335	1.0
186.09161	3.7
189.05345	0.6
197.15466	1.6
201.09142	0.6
201.12752	1.1
213.18436	0.6
214.08652	5.6
219.01816	1.0
231.11314	18.4
270.01263	0.6
273.07767	0.6
273.15042	1.4
301.14392	1.8
347.04175	0.7
349.12671	2.3
357.11118	1.2
360.43210	0.5
363.17642	2.7
369.10635	0.6
375.17984	2.0
376.17850	1.2
393.11603	6.6
393.18872	100.0
394.19241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69952	0.4
56.04430	0.4
69.24238	1.6
69.24667	2.1
71.04990	0.4
79.05451	0.4
81.03417	0.7
85.02910	0.5
86.09708	0.6
91.05444	0.5
93.18500	0.4
95.04968	0.7
95.08604	0.5
98.97585	0.4
105.07050	0.8
107.05669	0.4
107.08607	0.5
127.03941	0.5
131.08563	0.4
136.12083	0.5
145.10120	0.5
145.12262	1.7
173.13390	0.5
201.12643	0.4
227.05258	1.0
235.88808	0.5
243.08832	0.5
271.04471	0.5
301.14172	0.4
307.11578	2.7
349.12601	24.4
350.13068	0.6
386.63043	0.4
393.11588	100.0
393.18771	4.2
394.11972	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	393.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33901	1.4
51.24574	1.5
56.05025	2.6
56.96568	13.1
57.03424	2.1
57.59731	1.6
60.04528	1.7
60.66993	1.7
61.02923	4.1
69.03417	6.6
70.06584	5.6
71.52520	1.9
72.08132	2.6
73.02913	4.0
80.03271	1.5
82.99854	3.9
84.04498	2.6
84.08148	4.1
84.96077	2.0
85.02906	15.9
86.09704	9.0
87.04456	1.9
95.02450	2.4
97.02896	8.8
98.97585	16.4
101.00900	15.7
110.07133	2.0
110.97572	4.9
112.99124	4.7
113.00879	5.8
113.03487	11.1
115.02422	7.2
116.98616	5.7
119.01926	31.2
120.08117	3.4
121.06522	2.3
122.06811	2.6
127.02464	3.0
127.03909	5.0
128.98598	4.6
129.04016	2.1
130.05008	2.2
131.00172	5.7
131.01912	17.7
131.05528	7.6
133.03488	12.8
135.03236	1.5
137.00864	2.1
140.98598	1.9
143.00180	3.3
143.01906	75.5
144.98146	2.1
145.03458	13.5
145.04778	3.2
146.99635	2.9
147.01398	1.9
147.04994	3.3
149.01166	1.9
149.02975	1.8
149.06598	7.0
155.01909	23.8
156.97488	5.0
157.01680	2.0
157.03477	5.3
158.99677	4.3
159.01302	1.5
159.05081	9.8
161.02972	80.7
162.03052	2.0
163.04634	2.1
165.04288	2.0
167.05540	2.1
168.98149	3.4
169.03336	2.1
169.07115	2.2
170.99602	2.7
171.05014	6.8
173.02971	24.3
173.06602	23.4
173.12802	1.7
174.99040	2.6
175.02896	2.8
175.04543	5.2
177.00665	4.8
177.06090	7.0
183.05063	3.0
184.04628	2.4
185.02950	4.4
185.06606	28.5
186.99168	10.8
187.04469	3.7
187.08147	5.0
189.00677	3.7
189.04384	1.9
189.06110	3.7
191.03973	2.7
191.07631	5.3
193.00261	4.6
193.03844	3.2
195.07166	4.4
196.22235	1.7
197.03014	2.4
197.06700	3.3
198.98535	9.0
199.08273	2.1
201.00735	2.8
201.02565	3.4
201.06097	4.1
203.04033	10.9
203.07648	11.3
205.00208	7.0
205.05603	4.6
209.00621	6.6
211.04858	1.7
212.97112	2.5
213.00162	2.2
215.07703	12.4
216.03979	1.7
216.99492	1.8
219.01733	3.9
219.07071	7.9
221.05070	21.1
221.06937	2.4
221.56819	2.1
223.01353	1.6
227.01665	6.5
227.07802	2.0
230.98047	3.4
231.03577	2.8
231.07037	2.1
235.04851	4.1
237.02777	6.0
239.06679	5.6
245.05046	5.4
247.01291	2.0
248.99220	6.9
255.03697	3.5
257.02771	53.6
257.08676	5.8
259.06635	2.4
263.06119	2.6
265.05902	2.8
272.99335	9.5
273.04590	8.5
273.08212	2.6
275.03281	2.9
275.09799	25.6
277.07742	1.8
287.09665	3.6
291.00430	5.8
293.07483	3.5
293.10809	72.2
303.00253	2.9
303.05713	3.4
305.01846	2.8
305.10873	3.3
316.12357	2.1
333.02005	2.6
333.06714	3.1
333.10135	11.0
351.11346	2.1
375.11496	9.8
393.04367	3.7
393.12527	100.0
394.13062	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	393.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64913	0.4
67.62700	0.4
69.03424	0.5
70.55615	1.1
71.05004	0.5
79.05495	0.6
81.03421	0.9
85.02870	0.6
86.09759	0.4
91.05449	1.0
105.07023	0.9
110.07146	0.4
127.03941	0.6
127.11203	0.6
145.10112	0.5
145.12253	1.3
243.08821	0.8
262.56317	0.4
271.04364	0.9
296.19385	0.5
307.11591	3.0
331.11340	0.6
349.12616	24.0
378.15512	0.5
393.11588	100.0
393.18787	3.5
394.11899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95174	0.4
69.03421	0.8
69.21039	3.8
73.02931	0.6
84.27906	0.4
85.02907	1.2
86.09686	0.4
87.28080	0.4
93.85738	0.4
96.76351	0.4
97.02908	0.8
101.00877	1.2
103.02464	0.5
112.99162	0.4
115.02430	1.2
116.98617	0.3
119.01916	1.7
120.95336	0.5
127.03942	0.9
131.01941	0.5
133.03471	3.5
137.02934	0.5
138.96429	1.3
143.01917	0.8
144.00742	0.4
145.03424	0.8
145.04976	0.7
147.05042	0.4
151.04550	0.7
156.97476	5.3
158.99680	0.5
159.05075	1.9
159.64630	0.4
161.02943	1.4
171.05026	1.0
174.98528	3.0
177.06044	2.3
180.97437	3.0
189.06050	0.9
190.99554	1.7
194.54312	0.5
194.99025	0.8
195.07156	1.9
197.00595	0.4
198.98535	13.9
200.04401	0.4
201.06104	0.4
204.02776	0.4
205.05595	0.4
209.00627	12.6
211.34698	0.4
213.00211	2.3
216.99663	1.6
219.07170	6.4
222.65308	0.4
227.01683	10.6
231.07198	0.5
233.08844	0.6
239.01707	0.9
257.02734	100.0
258.02866	1.0
259.10440	0.5
262.57233	0.4
273.02481	0.5
275.03873	3.9
289.11343	1.6
291.04013	0.6
298.05344	0.5
307.12399	0.8
315.02115	0.4
333.06747	0.6
337.55914	0.4
349.13272	0.9
357.69724	0.4
380.03339	0.4
393.11575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96304	1.1
56.96568	14.6
56.96843	1.0
59.75323	0.6
67.05485	1.5
71.54972	1.3
71.95254	2.4
72.08141	1.3
74.97588	0.8
81.07025	0.8
84.96046	1.3
86.09711	1.2
95.08617	0.8
97.96797	0.9
98.97551	2.2
105.07061	1.3
107.08596	0.7
110.97569	10.1
111.98370	0.9
112.99184	0.6
116.98592	1.0
119.29274	0.7
121.10107	0.8
124.99117	1.7
128.98610	11.3
129.99364	3.1
131.00136	1.1
133.10120	0.8
141.99353	1.1
143.00191	2.6
143.97296	0.8
146.99727	3.9
148.00423	2.9
149.02330	1.6
150.02754	0.9
153.02271	0.8
159.11565	0.7
160.00478	2.3
161.01216	1.9
161.98341	1.1
167.03804	1.3
171.03279	3.2
181.05455	1.0
182.99687	1.5
183.03275	1.8
184.04103	2.1
185.01295	1.1
185.04868	2.2
189.04312	2.3
193.29010	0.7
195.92030	0.6
197.01230	6.5
197.04861	2.1
199.06406	6.0
201.00734	2.1
201.04300	2.3
201.07860	0.8
202.05197	1.0
203.03984	0.8
203.05858	2.5
207.11607	0.7
209.04875	1.6
211.06390	1.8
212.03630	0.9
213.04681	0.7
213.08006	2.3
215.02339	6.2
217.07457	5.6
221.04813	1.5
226.05464	0.8
227.05865	4.7
227.09424	0.9
228.06807	0.8
229.07471	9.0
231.09062	1.8
239.05943	6.8
240.06715	3.3
244.06096	1.3
245.06998	4.2
247.08572	3.9
250.07570	0.8
257.06973	17.6
258.07758	18.1
262.07422	1.5
272.05649	2.1
275.07990	4.2
275.66956	0.8
276.08829	9.3
280.08533	3.4
281.09323	2.3
290.06689	2.2
291.16425	1.8
309.17438	3.3
315.16364	1.2
333.17352	17.5
351.18430	59.0
369.19507	100.0
370.19891	1.3
371.20770	0.9
374.20056	4.1
387.20581	6.3
392.21017	24.2
392.24948	2.0
393.21741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.72847	0.7
55.01864	1.4
56.05045	1.0
56.96557	1.3
57.03448	0.7
61.01153	1.0
61.02917	1.6
69.03423	2.7
69.07069	0.9
70.06597	3.7
71.04961	0.8
71.08630	0.7
71.52251	1.4
72.08149	2.4
72.54181	0.7
73.02913	0.6
75.11229	0.7
75.56011	0.6
79.05489	1.5
80.86199	0.6
81.03412	1.9
81.07075	0.8
83.04990	0.6
84.04501	1.7
84.08135	3.1
85.02436	1.0
85.02902	9.8
86.09711	3.8
91.03919	0.7
91.05479	1.1
93.07011	0.9
95.04963	1.2
97.02918	3.4
98.97563	2.2
102.05497	1.0
105.03334	0.6
107.04980	1.3
107.08685	0.7
109.02912	0.9
116.07130	0.8
117.03347	0.8
120.08090	1.2
126.03747	1.8
127.03895	3.5
129.10237	1.3
135.04404	2.1
138.03125	4.1
144.04768	3.4
145.02895	0.7
145.04959	2.3
149.02357	2.5
150.02681	1.0
151.04019	0.8
153.05472	100.0
154.05771	0.8
158.99661	0.9
159.09271	0.7
163.03909	5.9
166.05363	1.8
167.07027	3.5
167.10783	0.9
168.06641	1.0
195.06540	48.4
196.45251	0.7
213.07594	7.8
217.13600	0.7
230.13937	1.0
279.13702	0.7
392.15979	1.5
393.17126	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.96563	2.3
57.07078	2.2
58.06612	0.5
59.94523	0.4
64.89447	0.4
65.45161	0.4
67.05499	1.5
69.03407	0.6
69.07053	1.2
69.91590	0.9
69.91982	1.0
70.06596	5.2
70.47414	0.3
71.06911	0.7
71.08630	1.8
72.08155	0.5
72.18627	0.5
79.05482	0.7
80.94843	0.6
81.03415	0.7
81.07047	1.2
83.04966	0.7
84.08141	0.6
85.02862	0.6
85.10236	0.5
85.51587	0.4
86.09689	1.3
87.40831	0.4
88.07642	3.4
89.07994	0.5
91.05482	0.4
93.07076	0.6
95.04990	0.4
95.08626	0.7
98.21316	0.9
98.76998	0.5
102.09190	2.1
105.07044	0.7
107.08607	0.7
109.10139	0.7
110.97565	1.2
119.08537	0.6
121.02872	0.5
128.98628	1.3
132.10214	2.0
133.10211	0.7
146.11757	1.1
147.12094	0.7
148.00406	0.6
149.02339	5.2
167.03409	1.2
185.04912	0.4
189.04414	0.5
197.01164	0.6
199.06357	0.6
201.00919	0.5
215.02269	0.5
217.07495	0.5
227.06079	0.5
229.07436	1.3
230.07835	0.6
240.06293	0.5
257.06992	1.4
258.07529	2.0
259.08182	1.3
271.08621	0.6
276.08673	0.9
277.09180	0.5
284.29446	2.3
285.29843	7.4
321.17023	0.9
328.32159	1.0
329.32446	7.3
331.15741	0.7
332.16245	2.8
349.16925	2.0
350.17209	16.6
351.18826	0.6
355.18619	0.9
367.17938	0.9
368.18283	5.1
390.35760	1.9
391.20474	3.9
391.24570	100.0
391.36014	36.2
392.24789	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
54.50785	3.1
55.05510	13.9
57.03432	3.8
57.07074	8.3
67.05515	15.9
69.03428	4.6
69.07066	11.4
71.08634	7.9
71.54186	3.5
79.05500	19.2
81.07061	33.0
83.04959	5.1
83.08625	5.7
85.06558	4.9
86.09720	6.3
91.05478	29.8
93.07066	30.1
95.04983	30.6
95.08608	21.9
97.06515	4.7
105.07042	54.0
107.05016	3.7
107.08597	24.8
109.06519	8.3
109.10159	14.5
117.07035	11.6
119.08584	45.0
121.06528	10.1
121.10146	20.6
123.08070	4.5
128.06227	10.2
129.06993	9.8
130.07843	5.7
131.08563	23.0
133.10176	12.8
141.07027	5.1
142.07787	16.4
143.08582	25.6
144.09399	4.5
145.10136	35.1
147.08064	5.8
147.11697	6.5
149.02353	55.6
149.03520	4.9
149.09659	6.7
154.07822	3.8
155.08583	10.9
156.09401	9.6
157.10127	27.7
159.08072	5.6
159.11700	12.8
161.09659	3.7
161.13251	4.6
165.06953	2.8
166.07767	3.1
167.03468	4.0
167.08565	7.0
169.10146	22.1
170.10980	5.7
171.11705	18.2
173.09608	6.3
173.13245	14.6
175.11172	5.5
175.14754	3.6
179.08568	11.4
180.09366	4.6
181.10144	15.3
182.10875	7.1
183.11711	17.0
185.13315	6.0
191.14348	7.8
192.09415	4.0
193.10184	11.6
194.10919	6.0
195.11702	14.5
197.13318	12.3
199.11264	6.1
199.14874	4.2
205.10202	4.8
206.10927	5.6
207.11707	12.6
208.12476	6.1
209.13225	15.7
211.11186	5.8
211.14835	5.1
213.12830	3.8
217.10112	4.2
219.11708	6.3
220.12556	6.3
221.13330	13.5
223.14830	9.8
225.12759	3.5
225.16396	5.2
231.11545	4.4
233.13298	8.0
234.14185	3.5
235.14905	9.2
237.16452	4.4
239.18063	3.4
244.12410	4.6
245.13251	4.9
247.14835	6.4
249.12653	3.5
249.16429	10.2
251.17854	6.1
255.17403	3.7
263.17966	9.0
269.18924	3.9
273.16324	4.7
275.17801	3.8
277.19565	5.7
281.18933	3.7
282.19882	7.9
285.10257	4.4
293.19214	5.6
295.20569	4.0
297.18869	4.3
308.21356	6.0
317.18832	3.8
335.20093	5.1
373.25299	17.6
391.15231	11.2
391.26242	100.0
391.36078	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	16.4
56.96561	8.9
57.07079	4.2
58.06599	5.4
60.04525	2.7
69.03436	2.9
70.06598	6.2
71.04936	2.2
71.08625	7.8
71.53825	4.3
72.08141	8.2
74.06085	66.5
81.04520	2.4
81.05605	2.8
84.04510	14.1
84.08150	3.2
85.02908	6.3
86.06060	3.6
86.09712	79.0
87.05569	3.3
95.05008	3.1
97.02887	3.3
98.97575	7.9
101.07148	24.0
102.05559	3.6
116.98608	4.3
119.38181	2.4
121.02919	4.8
142.12296	8.4
143.11823	8.1
149.01161	5.7
149.02339	58.7
158.99612	2.5
159.07678	11.6
166.52383	2.6
167.03398	10.9
177.08723	47.1
181.05925	2.3
187.07065	4.4
187.14429	100.0
211.97089	2.8
215.13910	37.1
219.01823	2.7
234.61487	3.0
237.02802	2.6
254.14998	2.7
261.02133	2.7
272.16022	6.0
295.77570	2.5
316.18726	6.7
316.24417	2.9
331.07001	4.5
373.20929	17.5
391.15366	8.3
391.19708	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.96558	1.6
57.07056	0.9
67.05524	0.9
69.03410	0.4
69.07056	1.0
69.47837	0.4
69.97290	2.1
71.05012	0.5
71.08611	0.6
72.41002	0.4
79.05482	1.2
81.07064	1.3
85.02906	0.6
86.09682	0.7
91.05468	0.8
93.07029	1.8
95.04958	1.0
95.08618	0.7
98.21397	0.6
105.07009	1.4
107.08626	0.8
109.10143	0.7
119.08603	0.8
121.10131	1.0
124.99998	0.5
133.10107	0.6
143.08546	0.7
145.10094	0.6
147.11642	0.4
149.02347	7.1
167.03439	0.8
174.88559	0.5
199.48685	0.5
237.16774	0.4
267.09039	0.9
285.10086	1.5
319.22354	0.4
350.17386	0.9
368.18539	0.9
391.24573	100.0
392.24963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44824	11.4
55.01857	11.7
56.96585	57.4
56.96811	12.7
59.93694	10.8
61.32051	12.0
67.05495	43.4
69.03445	17.1
69.07063	25.8
71.54589	10.8
76.31968	10.5
79.05478	25.3
81.03430	19.2
81.07049	38.2
83.08562	14.5
85.02918	14.1
90.02110	12.3
91.05465	30.9
93.07034	21.1
95.08623	18.3
96.92574	11.0
98.97554	23.1
105.07017	21.1
109.10149	18.1
110.97552	14.7
116.98603	13.0
121.10094	12.2
121.69565	10.9
129.51199	11.2
137.05977	39.7
149.02342	24.2
185.81314	12.2
219.40398	11.1
266.15128	13.4
269.12482	15.4
287.05576	99.0
331.15793	52.1
349.16776	100.0
361.02399	27.1
367.17926	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	390.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.96306	0.4
56.96568	5.3
57.07079	4.9
58.06601	2.1
59.05017	0.4
61.02929	0.4
67.05489	0.9
69.07050	0.8
70.06593	16.5
71.08642	2.4
71.24429	0.4
71.95250	0.8
72.08165	2.1
72.96035	0.4
74.03845	0.3
79.05470	0.8
81.03423	0.5
81.07054	0.8
84.08154	2.3
85.02895	0.4
85.10187	0.8
86.09704	3.2
88.07635	5.0
89.06057	0.6
91.05482	0.5
93.07039	0.7
95.08628	0.5
97.02882	0.6
98.21066	0.4
98.97599	0.8
102.09190	2.6
105.41995	0.4
110.97590	1.7
119.08594	0.6
128.98596	1.7
132.02873	0.4
132.10205	8.0
137.02780	0.6
137.05969	0.6
146.11769	7.4
146.99655	0.5
149.02386	0.6
160.00461	0.4
162.39719	0.4
169.01747	0.5
171.03229	0.4
185.04848	0.4
197.01292	0.9
199.06474	1.7
202.05174	0.4
203.05962	0.8
205.07587	0.5
210.89034	0.5
211.06465	0.6
213.07967	0.8
217.07556	1.1
223.02821	0.4
223.88834	0.4
227.09587	0.8
229.07484	1.1
231.09036	1.3
239.05994	1.0
240.06717	0.4
240.26927	2.4
241.07486	0.5
243.09018	0.5
245.10568	0.6
247.08430	0.7
255.09265	0.5
257.06964	2.5
258.07709	1.5
259.08606	0.7
266.28412	1.5
267.45609	0.4
269.12494	0.7
276.08749	0.9
281.10104	0.4
284.29471	9.5
285.09906	0.6
308.12952	0.4
328.32098	39.5
329.32217	0.6
331.15714	4.3
349.16873	26.5
350.17270	0.8
367.17920	13.7
372.18509	1.4
372.34442	0.5
385.19110	0.7
390.19788	3.6
390.35779	100.0
391.19873	0.5
391.36072	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.6
56.45385	0.5
56.96516	10.1
56.96813	1.0
57.07023	3.6
58.06536	1.9
58.06795	0.5
67.05456	0.8
68.05005	0.5
69.07007	0.8
69.67162	2.3
70.06596	15.8
71.08620	2.5
71.95252	2.9
72.08113	1.2
74.97570	0.5
79.05457	0.8
81.07043	0.6
84.08118	1.1
84.95993	1.5
85.10149	0.7
86.09703	2.6
88.07639	6.2
97.96755	1.0
98.20767	1.1
98.21358	1.1
98.97535	1.8
102.09191	3.7
110.96875	1.0
110.97561	11.1
111.98284	0.7
112.99101	1.1
113.99883	0.5
114.09092	0.7
115.00578	0.8
116.98599	0.9
121.32687	0.5
124.99049	1.5
128.98599	7.8
129.99313	2.3
132.10214	5.8
137.05923	0.5
141.99310	1.2
143.00151	2.5
143.97249	0.8
146.11758	6.1
146.61345	0.5
146.99648	2.6
148.00468	3.1
152.00066	0.8
155.00102	1.1
155.03600	0.7
160.00432	2.8
161.01181	1.3
161.98347	1.1
166.03065	0.5
171.03326	3.3
172.00423	0.8
173.01186	1.0
181.05321	0.8
182.99617	1.1
183.03305	0.7
184.03979	0.9
185.01227	0.9
185.04771	2.1
186.01958	1.3
187.99895	0.7
189.04280	1.6
197.01198	6.5
197.04793	1.5
199.06410	5.3
201.00671	1.5
201.04471	0.8
201.07872	0.8
203.02132	0.7
203.05859	1.7
211.02751	1.2
211.06372	1.5
212.03659	0.7
213.07903	1.6
215.02306	4.8
215.05823	0.9
217.07513	5.5
218.04431	0.7
221.04805	0.7
222.07745	0.6
223.02734	1.0
223.06404	0.7
223.08354	0.6
225.08105	0.6
226.05205	0.7
227.05933	2.9
227.09398	0.7
229.03944	0.7
229.07472	7.3
230.04539	0.7
231.09013	0.8
239.05862	6.3
240.06747	3.1
240.26788	1.3
241.07402	1.8
244.06160	1.5
245.06953	2.2
247.08426	2.9
252.09045	0.6
257.06982	13.5
257.10056	0.7
257.10635	0.6
258.07770	16.8
259.08472	1.3
262.08356	0.6
266.28391	1.1
272.05756	1.9
275.07990	2.2
276.08875	5.7
280.09229	1.1
281.09174	1.7
284.29480	16.9
289.14771	1.6
290.06775	1.3
307.15808	1.0
313.14716	1.4
328.32117	27.7
331.15829	17.9
331.19849	1.1
349.16867	100.0
350.17288	1.0
367.17932	33.3
372.18549	1.1
372.34747	1.5
390.19577	13.3
390.35782	88.3
391.24570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3052
Annotation	(2E,6S)- 6-[(1R,3aS,5Z,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-Decahydro-9-hydroxy-3a,6,10-trimethyl-1-cyclopentacycloundecenyl]-2-methyl-2-heptenoic acid
Peak:m/z	Relative Intensity
51.50660	0.7
57.07080	6.8
61.62234	0.8
65.02657	0.7
65.03911	0.7
66.13905	0.6
69.51258	1.8
69.51670	3.2
69.75599	0.6
71.08643	4.1
75.78418	0.7
85.10174	3.3
91.05489	7.4
98.21484	1.6
119.04951	22.6
122.47047	0.7
123.04446	0.7
147.04419	100.0
165.05484	47.6
165.06902	1.8
247.14519	0.8
297.25232	0.7
390.71844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03923	2.4
55.01884	2.1
55.05507	5.9
57.03421	3.6
59.04985	3.5
59.75898	1.9
60.04535	2.5
65.36696	1.9
67.05510	11.3
69.03414	8.3
69.07096	10.4
69.07426	2.7
69.32719	16.5
70.06618	10.4
71.04993	4.8
72.08144	2.5
76.02235	5.9
79.05487	13.1
81.03426	6.4
81.07065	20.3
83.04974	8.1
83.08624	5.9
84.08146	4.4
85.02888	11.2
85.06539	9.2
86.06092	4.3
86.09306	2.1
86.09718	22.4
88.07629	15.7
91.05480	19.2
93.07037	19.4
95.04964	6.7
95.08615	27.7
97.06519	6.4
98.21504	4.0
98.97578	2.9
99.04458	3.4
99.08106	16.5
103.05435	2.5
105.07034	14.0
107.04991	9.8
107.08601	36.8
109.02850	2.1
109.06514	12.0
109.10175	15.6
111.08060	7.0
116.98624	2.3
117.07040	3.5
119.08594	9.8
120.08062	2.2
121.06509	24.9
121.10159	38.0
123.08080	19.5
123.11708	4.3
125.05996	2.9
125.09605	6.8
127.03920	3.0
131.04948	5.0
131.08588	13.2
133.10159	21.8
135.08055	16.3
135.11702	6.3
135.58035	2.1
137.02313	3.2
137.09605	5.3
139.11140	5.5
143.11812	2.6
145.10115	5.4
147.04488	2.4
147.11679	9.8
149.09633	58.3
149.13264	21.2
151.11192	25.6
153.09128	7.4
163.07513	2.9
163.11247	4.1
163.14845	33.7
173.13261	24.7
173.27687	1.9
179.04877	7.7
191.14320	68.2
193.12292	3.0
202.76184	2.0
209.15381	100.0
210.15755	2.5
215.11833	5.4
219.13513	3.2
227.16299	4.1
228.21579	1.9
240.13426	3.0
262.24203	2.1
293.09286	3.8
303.14383	2.5
345.15204	14.4
354.26431	2.2
389.13962	50.6
389.21579	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	389.2172
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03943	2.9
55.05505	7.0
56.60609	2.1
56.96564	2.5
57.03425	3.5
57.07056	2.0
67.05511	6.8
67.07053	1.7
69.03425	6.9
69.07072	10.1
69.74807	11.1
71.04994	6.3
72.08137	4.1
74.06092	4.3
79.05504	7.3
81.03426	3.1
81.07057	17.4
83.04996	5.7
83.08629	7.4
83.69640	2.0
85.02917	20.2
85.06548	5.2
86.06070	2.8
86.09702	21.7
89.06049	3.5
90.90125	1.8
91.05480	8.2
93.07052	12.9
95.04971	22.7
95.08606	13.1
97.02887	5.1
97.06544	25.6
98.97602	4.8
99.04462	7.1
99.05566	2.3
99.08096	4.3
103.05474	16.3
105.07035	18.6
107.08591	18.7
109.02899	2.7
109.06519	47.1
109.10156	19.1
111.08075	5.7
112.07726	1.9
115.07590	7.9
119.08572	10.3
121.10149	21.9
123.08086	5.7
123.11658	4.8
125.09645	3.9
127.03887	4.7
127.07550	2.2
131.04938	27.7
131.08583	12.2
133.10144	52.0
135.08066	6.6
135.11684	3.4
139.11192	2.9
143.11807	4.4
145.04938	2.5
145.10150	2.9
147.11684	32.2
149.09676	5.5
149.13313	5.8
151.11169	5.4
153.09099	21.4
162.13518	2.5
163.07523	9.5
163.14844	8.0
165.12837	4.0
167.14359	3.1
173.13272	26.4
179.11787	12.1
191.14310	37.4
195.07820	3.1
197.12875	36.4
201.12346	3.4
207.13884	2.4
207.60286	1.8
209.08145	2.1
209.15384	100.0
215.13977	3.8
217.00078	2.0
219.01825	2.6
227.16431	52.9
345.12234	2.5
371.17957	10.7
389.13953	3.9
389.18533	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	389.2172
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01864	7.9
55.05505	10.2
57.03427	11.1
59.95367	3.4
65.58444	3.7
67.05490	18.9
69.03439	25.5
69.07058	11.5
70.06586	11.1
71.04987	20.6
71.54630	4.8
72.08146	11.1
79.05516	18.3
81.03413	14.2
81.07063	42.6
83.04967	11.6
83.08633	7.5
84.04534	5.5
84.08147	7.4
85.02910	34.7
85.06525	14.6
86.06061	6.4
86.09715	21.8
87.10015	3.5
88.07642	8.9
91.05486	17.9
93.07051	26.9
95.04970	51.7
95.08613	22.8
97.02885	8.9
97.06527	31.3
98.97635	4.6
99.04459	63.9
99.08096	13.3
103.05452	4.0
104.07102	19.5
105.07034	31.1
107.04932	4.2
107.08602	37.7
109.02856	18.7
109.06530	41.7
109.10149	10.8
111.08059	7.4
117.07024	4.8
119.08581	15.2
120.08063	4.1
121.06503	4.5
121.10152	31.2
123.08080	16.4
123.11708	8.1
125.09594	6.1
127.03905	18.8
131.08568	13.8
133.10127	53.3
135.08031	12.9
135.11667	6.0
137.05988	5.9
137.09575	4.4
139.11177	7.0
145.10127	15.5
146.06035	5.1
147.11678	28.8
149.09668	6.5
149.13278	7.9
151.07454	6.9
151.11179	11.3
153.09120	32.6
155.21518	3.7
157.13342	4.8
163.07600	4.2
163.11224	18.3
165.12758	7.2
167.06993	10.3
167.10670	9.7
169.08604	22.8
169.12260	10.0
173.13272	21.0
175.07561	3.8
183.13823	12.3
184.59557	4.4
188.07031	13.9
191.10612	6.4
191.14330	37.7
197.22842	3.9
205.09737	6.1
209.11823	5.5
209.15379	85.9
221.08345	10.9
227.12993	17.7
227.16396	100.0
230.09059	5.3
254.75591	4.1
290.14944	3.7
328.84702	3.9
354.26401	15.6
357.10571	5.8
372.27130	5.3
389.13947	7.9
389.21201	6.1
390.02646	6.6
406.69922	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	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01867	7.8
55.05515	22.7
56.96576	3.2
57.03441	8.9
57.07085	5.9
65.03931	3.8
67.05508	52.4
69.03428	21.3
69.07059	29.7
69.23907	27.2
71.05005	16.9
79.05511	30.2
79.15765	3.5
81.03426	5.3
81.06593	5.4
81.07059	100.0
83.04980	33.6
83.08633	17.6
85.02903	10.0
85.06545	11.0
87.04474	3.8
91.05494	31.6
93.03403	6.7
93.07047	37.0
95.04979	35.5
95.08610	98.2
97.02891	7.0
97.06550	23.5
97.10178	4.2
98.97585	7.5
99.08125	7.4
105.07040	38.3
107.08593	18.5
109.06532	6.8
109.10150	13.2
111.04454	37.1
111.08058	7.6
112.36578	3.2
113.09617	5.6
116.98611	3.6
119.08586	45.2
121.02847	5.3
121.06509	3.5
121.10138	13.0
123.08054	6.0
129.05496	33.7
131.08557	4.3
133.10130	36.6
135.11702	23.9
136.45122	3.3
137.09677	3.7
137.13243	9.2
139.03915	17.1
145.10106	6.0
147.06519	27.5
147.11681	5.3
153.01797	3.8
157.04944	15.7
158.99727	4.2
161.13272	92.9
177.05479	6.6
179.14322	82.0
179.15883	7.0
181.04919	7.9
193.04987	10.5
193.07077	21.6
197.15359	24.3
199.07576	2.9
203.18095	4.1
205.04869	6.3
209.08147	5.5
210.34448	3.1
215.16335	3.9
272.91763	3.0
273.03970	14.7
298.04782	11.6
301.03186	4.2
305.11682	3.2
309.14658	5.2
313.07043	27.9
353.19626	29.6
357.06039	10.4
370.64264	3.2
371.15692	3.7
371.20584	18.3
390.17297	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	389.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73439	0.3
53.91855	0.3
55.05501	0.8
56.05055	0.5
56.96576	0.8
61.02929	0.4
67.05511	0.8
69.03438	1.0
69.07069	0.9
69.69441	1.1
69.69849	0.8
70.06580	1.9
71.05004	0.3
72.08160	5.7
74.06089	0.6
79.05488	0.5
81.03439	0.5
81.07070	0.6
83.04974	0.9
84.04497	0.5
84.08163	1.6
85.02900	1.8
86.09715	7.7
91.05508	0.7
93.07070	0.9
95.04991	0.8
95.08627	0.6
97.02917	0.7
97.06544	0.4
98.97588	0.7
102.05577	0.6
103.05520	0.5
103.22263	0.3
105.07052	0.7
107.08579	0.5
109.06561	0.8
109.10167	0.4
114.05522	0.4
116.07091	0.7
116.91116	0.3
116.98644	0.6
119.01901	0.3
119.08596	0.6
119.97498	0.3
120.08135	0.4
121.06551	0.3
121.10171	0.8
123.08092	0.3
125.09592	0.4
127.03928	0.7
129.10255	0.8
131.04965	0.8
131.08598	0.5
133.10165	0.4
134.08127	0.4
137.06021	0.5
141.06625	0.5
143.11858	0.7
147.04417	0.4
151.07579	0.4
153.09085	0.6
153.66232	0.4
163.07596	0.5
170.98149	0.3
173.12979	1.1
179.14476	0.4
187.10822	0.5
187.14439	0.7
189.12428	0.7
191.14377	0.7
197.12917	0.4
200.14050	0.5
201.09787	0.4
201.12346	0.7
204.06703	0.4
209.11533	2.0
209.15506	0.6
215.14034	0.7
219.01855	0.6
219.13535	0.4
227.05412	0.7
227.12444	3.2
233.14941	0.5
237.02794	0.4
270.18173	0.4
271.04428	0.4
303.14035	1.2
345.11337	0.6
345.15268	5.5
371.12329	0.4
371.23303	0.5
389.14090	11.7
389.18085	100.0
390.18396	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Simulanol
Peak:m/z	Relative Intensity
50.05103	2.1
53.03936	2.3
55.01873	23.8
57.68683	2.0
65.03940	8.9
65.71072	1.7
66.92282	1.7
67.05495	4.6
69.03422	3.9
69.07102	2.0
70.06590	3.8
70.77502	5.4
71.04997	3.1
75.03574	2.3
76.67036	2.0
79.05499	6.8
81.03436	2.6
81.07052	3.9
82.04188	3.2
85.02895	6.9
86.09679	3.6
87.04475	2.3
91.05488	3.7
92.10615	2.0
93.03410	4.6
93.07049	2.6
94.04173	3.1
95.04978	7.9
95.08602	2.2
97.06569	2.7
98.97592	3.3
103.05444	10.3
104.07112	2.8
105.07018	2.9
107.04950	13.8
109.06522	2.3
110.03645	2.2
111.04468	2.1
115.05486	4.2
117.07010	2.8
121.06512	4.2
122.03642	4.6
123.04450	10.2
123.11755	4.4
124.05212	2.6
125.05994	2.2
128.06212	3.5
128.65411	2.1
129.06999	16.4
131.04938	16.9
131.08578	11.5
137.05977	34.2
140.04643	2.2
141.07005	8.6
143.08510	2.1
145.06511	3.1
145.10240	2.6
146.07149	2.2
149.05969	9.0
151.03932	4.1
153.05479	5.9
157.06531	13.9
158.07259	9.5
159.08015	9.7
160.05246	4.1
163.07526	6.2
165.05435	3.3
167.07047	19.6
169.06454	4.7
171.06543	7.6
174.06754	22.4
175.07536	16.3
177.05519	22.2
177.09251	2.7
181.04967	61.2
181.06534	3.2
182.05292	2.3
183.06570	15.4
186.06801	6.2
187.07562	7.0
188.08347	5.5
189.07378	3.7
189.09114	41.9
191.08655	2.0
199.08705	2.4
201.09094	18.8
205.06517	2.5
206.07207	2.7
209.08104	34.8
209.15262	2.7
211.98032	2.1
217.06575	4.3
217.08607	5.9
218.07271	7.2
219.01865	2.2
219.08145	5.9
219.10156	100.0
221.08006	3.6
227.08142	3.4
233.09572	3.8
234.06848	7.2
235.07550	4.8
237.08987	2.4
241.06126	2.3
241.09789	3.0
247.07581	5.0
248.08406	3.4
249.09134	11.1
251.10635	2.9
255.11258	3.1
260.08221	2.9
261.09152	12.2
262.09854	2.4
263.07031	3.4
265.08603	3.5
277.08618	27.3
278.09406	8.3
279.10056	6.7
281.11789	3.9
283.10855	4.1
289.08618	3.4
291.10175	5.3
293.11685	7.6
306.08868	2.5
307.09744	3.3
309.11240	7.9
311.09915	3.5
311.13086	2.9
313.44464	2.0
321.11581	8.6
329.11197	16.0
339.12244	38.5
341.13824	5.6
353.13736	3.9
357.10699	10.0
359.14893	3.1
371.10504	3.4
371.14957	47.0
389.15909	39.7
389.21478	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	388.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24205	32.7
55.05506	49.9
56.96563	33.0
57.03442	28.8
67.05499	100.0
69.07072	49.0
71.04997	27.8
71.54410	37.0
73.02942	33.3
73.06571	27.8
79.05486	57.7
81.03412	52.7
81.07042	86.7
82.46577	25.4
83.04984	27.6
83.08628	30.6
83.87270	25.9
85.02920	49.5
91.05449	45.0
93.07056	43.6
95.08624	45.1
95.96427	25.7
97.06519	58.9
98.97559	47.5
105.07031	40.1
111.15247	24.5
133.10144	28.5
134.87878	26.7
143.00194	26.5
224.08044	45.7
356.15430	34.8
388.21271	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61865	2.1
55.01876	22.3
56.38517	2.0
57.03450	2.1
65.03931	5.8
67.05527	4.2
70.06602	2.1
71.04974	2.2
79.05490	7.3
81.03403	3.1
81.07022	2.2
83.08601	2.0
85.02892	5.4
86.09706	3.3
91.05482	4.5
94.04179	2.0
95.04967	7.6
97.02881	2.8
97.06516	2.2
98.97575	2.5
103.05470	11.5
107.04942	8.6
109.10169	2.2
110.03625	3.3
110.93732	1.8
111.04385	3.8
115.05466	2.1
117.06988	2.5
121.06510	2.2
122.76430	2.2
123.04404	6.8
123.11735	4.1
125.05995	3.8
125.22004	1.9
127.03871	2.1
128.06247	4.1
129.07019	13.5
131.04936	17.4
131.08549	9.9
135.04379	2.0
137.05986	37.1
139.03915	5.5
141.06992	7.7
142.02585	2.9
145.06514	5.0
149.05943	4.9
151.03882	2.8
151.07573	2.9
153.05435	3.4
157.06474	16.7
158.07300	5.8
159.08035	9.6
160.05182	4.7
163.07542	6.5
167.07033	18.7
169.06509	3.0
171.06491	5.4
174.05472	2.0
174.06802	22.2
175.07605	11.6
177.05496	23.2
181.04973	54.8
183.06534	12.0
186.06802	7.2
187.07545	9.0
188.08287	5.2
189.07123	4.7
189.09091	39.0
191.10612	3.4
201.09152	20.1
206.07271	2.9
207.07938	2.3
209.08092	29.9
209.15388	2.4
217.06461	5.6
217.08572	4.2
218.07274	5.3
219.08125	8.9
219.10161	100.0
231.08090	4.0
233.09610	3.9
234.06787	6.9
235.07541	5.2
241.09659	4.5
246.06786	3.5
247.07628	4.0
248.08328	3.3
249.09137	14.0
251.10713	3.2
255.11226	4.5
259.40421	2.0
261.09061	11.5
262.06366	2.2
262.09824	2.2
263.07034	3.1
269.08905	2.1
276.07962	2.3
277.08615	27.5
277.98645	2.2
278.09195	5.8
279.10114	6.2
283.10645	4.8
289.08545	4.4
289.64929	1.9
291.10114	2.9
293.11707	7.8
306.08957	2.2
307.09692	3.3
309.11115	7.7
311.12891	2.7
314.82303	2.2
321.11426	8.2
329.11270	10.4
339.12280	31.1
341.13763	3.5
357.10858	6.0
359.14786	2.2
371.10529	2.7
371.14908	42.6
389.15875	38.0
389.21371	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	388.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	37.8
56.96552	63.1
57.03429	17.1
67.05495	56.4
69.07066	39.7
71.54494	20.6
79.05486	36.2
81.03423	23.0
81.07040	49.3
83.04992	19.1
85.02933	19.9
91.05459	25.7
95.04967	17.7
95.08609	47.5
95.22656	17.4
97.06531	26.5
105.07036	32.3
107.08573	23.0
109.06534	23.2
109.10162	26.4
121.10101	18.6
125.09584	19.8
131.08553	27.7
135.07983	17.9
149.01175	20.8
224.08012	35.0
229.07559	40.2
273.10095	20.1
289.17801	21.7
329.14368	50.0
347.15378	100.0
356.15314	22.2
365.16245	59.0
388.21655	26.0
389.18140	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
53.64419	1.0
54.29976	1.1
55.01881	2.5
57.03434	6.7
57.89176	1.0
61.02925	1.1
67.05502	2.5
68.05037	1.6
69.03431	43.7
69.07069	2.1
70.06589	4.7
71.05002	7.9
72.08157	1.6
73.02917	1.2
79.05503	2.7
81.03419	27.6
81.07060	1.8
83.01356	2.9
83.04972	1.3
84.08123	2.8
85.02908	51.3
86.06075	4.0
86.09702	2.4
87.00829	30.7
87.04468	3.8
88.07645	4.0
93.07076	1.7
95.04978	1.8
95.08630	1.5
97.02895	69.8
97.06519	1.9
99.04462	27.9
101.02373	1.7
104.07104	13.6
105.01862	22.9
105.07033	11.9
107.08598	1.2
109.02876	9.6
109.10188	1.6
111.04460	1.1
115.03931	2.1
124.17681	0.9
127.03921	100.0
133.10129	1.1
137.05949	3.1
145.04967	76.4
145.10153	1.1
151.07570	1.2
171.02919	1.7
200.12982	1.2
209.15491	1.1
213.03935	3.2
216.17462	1.5
231.05013	67.4
249.06053	36.7
266.08609	1.6
270.55890	1.3
274.81183	1.1
285.13046	1.8
291.15466	1.1
305.15091	1.2
352.24850	5.1
370.25739	6.0
388.15158	1.2
388.19931	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
56.96551	0.7
57.03418	0.6
61.02918	0.5
67.05485	0.4
68.99806	0.3
69.03429	4.2
69.07089	0.4
70.06590	0.5
70.54940	0.3
70.84216	1.0
72.08153	0.8
73.02901	1.1
77.03919	0.4
77.82137	0.4
79.05488	3.6
81.03444	1.7
81.07063	0.4
81.98568	0.4
84.08121	0.6
85.02905	7.7
86.09714	0.6
87.00825	4.3
88.07654	0.7
91.05485	1.0
93.07056	0.8
95.04982	0.6
95.08575	0.6
97.02889	5.2
98.97586	0.9
99.04457	1.7
103.05479	3.5
104.07116	1.3
105.01199	0.8
105.01870	12.2
105.07034	100.0
106.07385	0.9
107.08600	0.7
108.04478	0.4
109.02892	2.2
119.08615	0.7
122.09704	0.9
126.05504	0.3
127.03915	8.7
129.05501	0.5
129.07005	0.4
131.08617	0.7
143.08580	0.5
145.04964	7.1
147.08073	0.4
159.02876	1.0
167.08661	0.4
189.03958	0.6
213.04080	0.4
213.09131	1.2
231.04997	4.5
249.06049	2.9
287.05597	1.1
291.45340	0.4
307.10815	0.4
327.69763	0.5
329.24219	0.3
335.11047	0.4
335.16629	0.4
352.24933	0.6
362.03006	0.6
370.25940	0.6
375.88101	0.4
388.20407	1.0
388.26843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55731	0.7
51.81789	0.6
53.03954	4.3
55.01672	0.6
55.01878	7.5
57.03439	4.3
58.11533	0.7
61.02929	5.9
62.44772	0.6
68.99796	1.9
69.03434	31.9
70.81852	1.9
71.05006	4.6
73.02925	6.2
81.03424	25.4
83.04958	0.8
85.02911	100.0
86.06086	5.1
87.00838	39.4
87.01633	1.1
87.04487	1.4
90.85542	0.6
91.03972	1.6
97.02898	30.0
97.03532	1.5
99.04461	13.8
103.03957	1.0
105.01875	73.1
105.07040	12.1
107.51457	0.6
108.04470	4.2
109.02890	30.9
115.03970	1.3
117.01848	3.3
119.08624	0.7
126.05544	1.3
127.03926	79.5
129.01843	4.5
133.06450	0.9
141.73416	0.6
143.03433	0.7
145.04971	39.7
147.02928	2.1
148.12050	0.9
159.02895	15.6
171.02954	1.1
177.03967	1.6
189.03976	4.4
199.70622	0.7
208.06232	0.7
213.03989	3.7
213.09135	2.1
230.06621	0.8
231.05008	28.5
231.10149	2.0
248.07758	2.3
249.06068	11.0
266.08853	0.7
335.11258	0.8
358.57590	0.7
370.25839	0.7
388.16089	2.2
388.20569	2.2
388.45404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.0
61.02925	8.3
67.05518	8.8
68.05024	15.4
69.03438	35.8
69.37936	35.2
71.05013	6.2
73.02901	7.2
81.03411	24.0
85.02913	100.0
85.17010	6.0
86.06062	15.8
87.00849	40.0
93.07049	6.3
95.04941	9.6
97.02878	37.8
99.04470	18.1
105.01874	79.7
105.07045	42.0
109.02883	33.8
123.04446	5.8
127.03926	87.7
128.07071	16.0
145.04990	39.1
146.60814	6.0
152.07072	5.9
159.02921	14.8
170.08154	16.0
188.09175	75.2
231.04977	29.1
248.07625	6.4
249.06053	8.2
388.15546	7.8
388.23590	40.6
398.95740	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	387.3256
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
52.55295	4.7
53.57973	5.1
55.05507	18.3
57.07076	11.4
67.05512	38.0
69.03418	6.6
69.07072	56.6
71.54826	4.7
72.51572	4.6
79.05498	17.0
81.07057	100.0
83.08613	14.0
85.06539	5.6
91.05477	16.6
93.07045	53.5
95.04934	7.4
95.08607	88.0
97.06493	8.2
97.10145	9.5
101.14272	5.6
105.07040	37.8
107.08578	53.2
109.10160	61.6
111.11736	7.3
112.53776	4.5
119.08586	38.9
121.10143	47.1
123.11726	51.6
131.08556	17.3
133.10115	22.1
135.11726	23.0
137.13252	11.0
141.74345	5.5
143.08614	4.5
145.10139	19.3
147.11670	40.3
149.13254	26.2
157.10202	5.8
159.11700	18.6
161.13326	11.8
163.14813	12.0
171.11688	8.3
173.13248	14.9
175.14864	7.3
177.16394	17.0
179.17964	13.2
187.14886	6.9
189.16415	9.8
203.17958	12.9
210.92737	4.6
213.16408	6.5
217.19542	7.0
227.17880	6.7
246.14156	4.8
351.30472	4.7
369.31442	27.6
387.32626	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03945	7.4
55.01875	4.0
55.05511	8.2
57.03430	3.8
65.03940	3.4
67.05510	57.0
69.03429	17.0
69.07071	9.6
70.06594	6.2
71.04998	9.6
71.52987	3.2
72.08150	7.0
73.02929	2.7
79.05509	48.8
81.03434	6.6
81.07063	100.0
83.04990	25.3
83.08627	4.4
85.02910	21.5
85.06539	8.6
86.09724	10.1
91.04977	3.6
91.05492	39.4
93.03391	3.6
93.07055	69.9
94.24331	2.3
95.04971	18.7
95.08612	28.8
97.02908	7.2
97.06536	36.4
97.49860	2.1
99.04410	3.6
99.08095	9.5
105.07025	25.7
107.04968	3.3
107.08603	19.6
109.02904	2.3
109.06522	8.9
109.10183	6.0
111.04466	12.5
111.08080	9.6
113.09663	2.2
117.07019	19.2
119.07759	2.0
119.08540	11.7
121.06558	5.6
121.10161	12.6
123.04462	2.3
123.08073	9.0
123.11713	5.1
127.03922	4.8
129.05487	9.5
129.10236	3.6
131.08582	18.8
133.10133	17.0
135.08089	10.1
135.11694	24.1
137.05978	8.8
137.09616	6.8
139.03909	5.2
143.08595	2.8
145.04988	3.8
145.10204	2.6
147.06570	4.7
147.11713	16.6
149.09625	6.0
149.13269	29.3
151.07518	11.0
151.11183	2.1
153.09187	2.2
157.04977	6.3
159.11711	45.3
159.98376	2.4
161.09625	8.6
161.13281	5.2
163.11174	6.0
165.09155	6.7
165.12772	22.3
167.07063	9.6
177.12761	70.7
177.14281	4.8
179.14331	3.4
181.12218	6.4
189.09067	2.4
189.12752	7.6
193.07089	2.9
195.13840	32.8
207.10384	4.4
207.13829	38.8
225.14888	7.8
253.09694	2.1
281.09274	4.0
309.08612	3.3
327.09784	2.9
339.17743	3.1
351.18051	13.8
369.19101	17.9
369.24045	3.8
387.14697	10.1
387.20038	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49092	1.1
53.03951	1.9
55.01861	2.8
55.05503	4.3
55.33994	1.0
56.96550	2.0
57.03430	1.6
65.03940	2.8
65.78195	0.9
67.05499	5.9
69.03428	4.1
69.07075	5.8
69.24630	1.1
70.06581	4.3
71.04983	4.0
71.54018	1.5
72.08162	1.8
79.05501	10.8
81.03422	2.2
81.07059	10.1
83.04971	3.8
83.08624	3.5
84.08139	1.2
85.02915	4.8
85.06546	70.2
86.09704	1.5
87.00813	1.1
91.05479	7.4
93.03393	1.0
93.07050	18.6
94.04197	2.5
95.04964	4.2
95.08617	5.6
97.02872	1.4
97.05927	2.0
97.06538	39.6
97.07156	2.2
97.23312	1.0
98.97590	2.5
99.04481	2.4
99.08103	1.8
103.05464	3.2
105.07044	9.1
107.04955	2.7
107.08620	10.7
109.02895	1.8
109.06514	2.4
109.10136	3.0
110.03749	1.0
111.04417	2.2
111.08082	2.0
115.05445	2.3
117.07028	3.0
119.08586	6.9
121.06486	3.1
121.10154	25.8
122.03646	7.8
123.04377	1.4
123.08057	3.3
123.11713	1.2
125.06004	2.2
125.09615	2.3
127.03900	3.1
131.04881	2.6
131.08601	2.2
133.10133	3.3
135.08081	2.7
135.11693	3.7
137.05983	100.0
137.09605	2.3
143.04932	2.9
143.08582	1.7
144.09332	1.6
145.05040	1.1
145.06471	2.6
145.10141	2.0
147.11688	4.3
149.13268	15.4
151.03900	8.7
153.01860	1.1
155.05974	1.3
157.06569	1.1
159.11726	6.8
161.09673	1.6
163.07579	2.4
165.09050	1.3
165.12756	6.4
167.07047	11.9
167.14313	2.9
171.06612	1.5
171.11589	1.3
173.06030	2.6
175.07581	1.0
177.05449	2.0
177.12749	19.7
181.04964	23.8
181.06541	1.5
182.71262	1.0
187.11177	1.0
191.06989	8.7
195.13809	29.4
195.15518	1.9
201.16286	1.7
205.08676	1.9
207.10310	1.4
213.14850	4.4
215.06932	1.2
233.08141	1.6
235.09689	1.7
259.09787	1.5
267.13730	1.0
301.03931	1.1
351.12311	1.6
351.17935	2.8
357.13309	12.0
357.17123	1.7
369.13937	1.8
369.18982	11.4
387.14581	30.0
387.19818	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05509	2.6
57.07066	4.0
58.40189	1.8
65.03938	2.2
66.00089	1.8
67.05508	23.3
69.03429	4.5
69.07069	2.1
69.67146	10.4
71.04990	2.3
72.08154	4.0
79.05468	2.5
81.07055	6.4
83.05013	2.5
85.02909	8.9
85.06554	11.9
86.09718	2.9
91.05466	4.4
93.07043	9.3
95.04984	3.7
95.08611	100.0
98.20848	2.6
102.01403	1.7
105.07043	6.3
107.08574	9.6
109.06525	2.2
109.10174	3.0
111.08102	2.0
113.06004	11.9
119.08577	16.4
121.10157	6.7
123.08073	34.5
123.11728	1.8
131.08559	2.0
133.10097	2.0
135.11714	14.8
137.09634	2.3
139.69093	1.8
147.11700	5.6
149.09628	36.4
151.07541	3.2
151.14795	4.8
161.13237	12.3
163.11197	12.3
165.12788	8.3
171.11719	3.1
179.14307	2.7
189.12738	17.7
195.27017	1.9
197.03613	1.7
207.13818	66.5
208.14285	2.3
225.14903	4.6
292.07324	1.8
302.84958	1.7
317.16122	2.0
387.14822	2.4
387.20255	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	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01873	3.5
55.05511	7.1
57.03445	4.6
65.03938	2.7
66.03268	2.4
67.05503	18.2
69.03429	57.2
69.07066	7.6
69.92753	9.7
70.06590	2.7
71.04980	3.9
79.05484	10.8
81.03406	5.4
81.07049	25.0
83.04964	4.6
85.02918	18.6
86.09712	5.3
91.05482	12.0
93.07056	14.5
95.04957	9.7
95.08620	19.2
97.02902	7.5
97.06528	8.5
98.97594	5.9
99.04485	5.7
103.05469	2.9
105.07027	22.5
107.08624	16.5
109.02851	3.2
109.06514	15.0
109.10194	5.5
111.04393	3.1
111.08079	7.3
115.65680	2.5
117.06998	4.1
119.08578	20.5
120.85876	2.6
121.06490	4.5
121.10140	13.5
123.04433	12.2
123.08073	15.1
123.11687	3.4
125.09621	3.1
131.08553	3.1
133.06453	8.5
133.10133	47.3
135.08040	5.4
137.06001	29.4
137.09607	28.9
139.11192	32.9
145.04860	3.0
145.10089	5.7
147.08081	7.7
147.11700	27.9
149.09625	7.3
151.07532	10.7
151.11240	3.6
153.09079	2.8
156.09315	6.2
159.11696	5.8
161.09583	4.7
161.13274	17.8
163.11195	10.1
165.09151	4.4
165.12749	5.4
171.11656	15.3
174.10439	5.8
179.14264	2.9
181.12267	2.8
189.12766	35.7
207.13815	100.0
207.15773	5.4
208.13979	2.7
225.14845	54.5
254.47040	3.0
267.07034	2.7
279.06830	3.8
369.19113	3.8
387.14197	12.3
387.19949	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.05519	3.6
57.03467	2.4
57.07085	4.9
58.85936	2.2
67.05507	23.9
69.03435	3.7
70.70344	4.6
70.70689	3.8
72.55090	2.2
79.05502	2.7
83.04975	2.8
85.02908	5.9
85.06562	13.0
91.05457	3.3
93.07037	6.5
95.05026	2.8
95.07993	5.1
95.08614	100.0
105.07039	6.4
106.63018	2.3
107.08586	8.8
109.10189	2.6
113.06011	14.1
119.08590	17.4
121.10160	8.8
123.08090	31.9
135.11697	14.0
135.39308	2.4
137.13284	2.8
143.41942	2.1
147.11685	8.2
149.09637	33.0
151.14844	5.0
161.13200	12.8
163.11182	8.0
165.12799	5.1
170.15523	2.1
179.14339	4.0
189.12741	18.4
207.13821	72.0
209.52243	2.4
274.65021	2.6
310.04706	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	387.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03945	1.3
55.01863	0.4
55.05504	1.1
56.49463	0.3
56.96563	0.6
57.03440	0.5
65.03934	0.4
67.05505	3.2
69.03429	1.2
69.07065	0.7
70.23879	1.1
71.04998	0.5
76.73684	0.3
77.03931	0.5
79.05494	7.4
79.54152	0.3
81.03419	2.5
81.07053	2.7
83.04975	1.2
83.08614	0.7
85.02898	0.5
91.05468	3.8
93.07053	3.8
95.04987	2.2
95.08602	0.6
97.02888	0.3
97.06518	0.8
98.97620	0.4
103.05466	2.7
105.07036	100.0
106.07365	0.7
107.04961	0.5
107.08617	0.9
109.06526	0.6
109.10158	1.1
111.08071	0.3
115.05451	0.4
117.03397	0.4
117.07029	0.6
119.04940	2.0
119.08583	1.1
121.06490	1.9
121.10155	1.1
123.04449	0.3
129.05476	0.3
129.07018	0.9
131.08603	1.2
133.02887	0.4
133.10156	1.4
135.11716	0.3
147.11696	1.5
149.09622	1.1
152.08368	0.3
157.06500	0.8
157.10144	1.0
158.11026	0.5
159.04401	1.6
161.02364	2.3
162.03032	0.3
163.03920	3.5
166.97189	0.3
169.10207	0.3
173.02388	3.0
173.06029	0.5
175.03853	0.4
175.11230	1.5
176.12010	1.1
177.12741	0.5
181.06650	0.3
183.04346	0.3
185.06006	0.8
187.03912	4.0
193.12192	1.3
197.06009	0.3
199.03955	1.7
201.05554	0.8
203.03532	0.3
213.05499	4.0
215.07100	0.3
225.05531	0.9
227.07071	0.5
227.32893	0.3
239.07095	1.0
267.13788	2.1
283.13419	0.5
291.13733	0.3
293.11761	0.5
309.14844	0.4
311.13016	1.7
311.16162	0.7
319.13458	0.6
329.13757	0.4
337.14395	5.4
355.15472	3.3
369.16629	0.7
387.18347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.1
65.03945	1.6
69.03426	2.7
70.06587	6.3
71.52256	1.0
72.08166	1.9
73.02934	1.3
74.02444	18.0
81.03421	1.1
84.04524	1.7
84.08140	2.6
85.02908	6.4
86.09701	2.4
88.03989	4.3
92.05016	4.7
97.02911	3.4
98.29514	0.9
98.97588	3.0
99.04462	1.0
108.04464	1.1
110.06052	100.0
116.03448	1.4
116.07018	0.9
116.98647	1.1
120.08090	1.1
121.02888	1.1
127.03944	1.2
129.03891	1.0
129.10242	1.1
131.01898	1.0
134.06032	5.9
136.03934	1.2
136.06187	1.1
151.01944	1.1
158.16696	0.9
161.01303	0.9
161.07115	7.6
163.03958	1.6
179.08138	11.4
182.99670	3.6
187.08151	1.3
190.05006	2.3
199.08195	1.0
201.00719	3.4
206.20943	0.9
207.07623	18.0
207.09224	1.5
217.11774	1.2
219.01823	1.5
223.04262	9.1
225.08722	62.2
237.02957	1.5
243.04672	1.1
260.01559	0.9
267.09650	2.0
268.11383	0.9
300.02423	1.2
303.09909	1.6
327.03757	1.5
369.11276	1.2
386.84866	0.9
387.08582	1.8
387.12317	5.6
387.16913	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	387.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.01859	5.4
55.05497	19.5
57.03444	6.7
58.84824	5.1
67.05517	38.8
69.03419	5.6
69.07052	12.4
71.54774	6.2
79.05155	4.8
79.05503	64.0
81.03416	17.8
81.07066	46.0
83.04974	10.5
83.08612	15.8
85.06503	6.9
91.05489	63.9
93.07049	47.3
95.04954	14.5
95.08600	22.0
97.06517	15.8
105.03342	5.8
105.07032	37.2
106.41351	5.1
107.04932	10.1
107.08575	19.3
109.06516	10.4
115.05450	7.3
117.07016	13.1
119.08553	24.4
121.10139	13.4
123.08097	6.5
128.06174	8.6
129.07011	17.6
131.08624	28.3
133.02849	9.0
133.10110	43.1
145.02742	5.7
145.10092	9.0
147.08075	6.1
147.11697	37.2
149.09528	9.2
149.13246	10.9
151.11163	7.1
155.08542	6.2
157.06442	9.4
157.10110	24.4
159.04431	14.9
159.11726	12.3
161.02367	36.5
162.03122	9.3
163.03932	47.7
172.76582	5.0
173.02347	26.2
175.11209	32.7
176.11990	39.4
177.12738	14.2
185.05952	18.1
187.03915	92.3
193.12236	18.5
199.03851	23.5
201.05453	6.1
213.05464	61.2
225.05496	10.5
225.14838	5.9
239.07011	16.1
269.17480	10.2
309.15012	9.0
319.13287	11.0
324.30164	5.3
337.14377	100.0
355.15170	7.7
369.16818	15.2
370.42722	6.1
387.20789	7.3
387.25385	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10571	2.7
55.05502	3.9
56.96571	26.1
63.60053	2.8
67.05506	4.4
69.03421	6.4
70.06597	16.9
70.58906	6.4
70.59231	3.9
71.04967	3.1
81.03403	6.8
81.07061	5.5
83.04985	5.0
83.08644	4.7
84.96040	15.5
85.02901	8.2
86.09695	5.4
93.07030	7.5
95.08559	3.4
97.02863	5.0
97.06559	5.8
98.97588	88.2
105.07036	4.6
107.04945	5.0
109.10172	5.5
110.97575	27.7
112.99146	6.3
116.98622	23.4
118.06907	5.6
119.08591	4.1
119.46939	3.3
121.06488	4.1
124.99136	5.4
126.97033	3.4
127.03909	11.9
128.98590	17.7
128.99477	3.0
131.00175	4.0
133.10136	4.6
137.05980	20.2
137.09572	4.5
140.98602	8.1
143.00160	13.6
143.08583	3.2
144.98108	6.2
146.99634	3.7
152.98590	7.7
158.99661	20.8
161.01236	8.2
161.09608	6.8
163.11214	3.8
165.09088	7.6
170.99677	7.6
173.01230	4.0
177.00711	12.4
189.00735	4.0
189.12839	4.1
199.06422	7.7
201.00806	10.1
207.13834	6.8
219.01772	48.0
222.04346	2.9
237.02840	41.3
251.99225	3.1
301.06104	3.0
301.09598	90.9
319.10654	100.0
342.12213	12.2
343.10629	29.4
351.18488	3.1
357.13443	3.3
361.11725	17.6
387.10281	33.7
387.14664	5.4
387.19492	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	387.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05509	1.8
56.96576	2.5
57.03440	1.6
61.02925	0.9
61.04029	1.3
62.17574	0.8
67.05509	1.5
69.03451	5.2
69.07077	2.2
69.57033	4.3
70.06600	14.9
71.05003	1.1
72.08170	4.4
73.02925	1.3
74.06065	2.0
76.64696	0.8
79.05503	1.2
81.03419	3.0
81.07065	2.0
81.10394	0.9
81.48793	1.0
83.04997	1.7
84.04499	2.5
84.08150	4.1
85.02904	11.2
86.09707	10.6
88.93856	0.8
89.03912	1.3
91.05487	2.8
93.07049	1.9
95.04988	3.6
95.08609	0.9
97.02895	4.0
97.06573	1.2
98.83089	0.9
98.97605	3.6
99.04451	3.1
105.07059	1.6
107.04939	1.6
108.04556	0.9
109.02860	1.6
109.06505	1.1
110.97584	1.1
116.07076	4.4
116.98620	1.4
117.03359	1.9
117.07059	1.0
119.04913	1.6
119.08591	2.4
121.06562	0.8
123.08087	1.7
126.05460	1.3
127.03955	2.5
128.98651	0.8
129.10294	2.5
130.06523	1.8
133.10176	1.6
135.04424	4.2
135.08124	0.8
137.06013	1.0
139.07317	2.5
139.08707	2.5
139.11194	1.0
145.02751	4.1
145.04970	2.3
147.04413	2.0
147.07971	0.9
147.11684	1.4
149.09631	1.6
151.07555	4.6
153.05524	1.0
153.09103	1.3
161.13263	1.1
163.03920	31.0
163.11211	2.1
173.12888	1.9
187.10863	1.9
189.12886	1.1
201.12390	1.7
207.10094	1.3
207.13785	7.4
219.01781	1.3
221.05133	1.3
225.07562	2.4
225.10988	1.2
225.14874	3.5
227.05301	2.6
237.02771	1.9
271.04343	1.0
272.15997	0.9
278.97357	0.9
281.12964	1.4
301.12524	7.3
319.12198	0.9
325.12384	1.3
340.77060	1.0
343.13651	35.2
387.12570	100.0
387.16425	47.1
387.26715	2.2
388.12946	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	386.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	54.8
56.50599	34.2
56.96567	36.1
67.05488	65.4
67.23009	32.4
69.07063	45.8
78.04312	37.6
79.05487	66.1
81.07035	90.3
85.06500	47.2
91.05461	33.3
93.07030	43.4
95.08586	32.9
97.06520	81.9
98.21527	100.0
98.23689	30.4
105.07015	39.7
189.53076	36.2
194.46480	32.6
203.89757	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	35.4
55.05507	67.6
56.02168	33.2
56.96569	49.9
58.67064	28.6
67.05511	100.0
69.03436	48.0
69.07057	42.3
71.13462	34.5
71.13848	66.2
75.54549	35.6
79.05496	70.9
81.03403	32.8
81.07050	93.9
91.05503	68.5
93.07092	49.7
95.04947	86.6
95.08630	55.3
97.06530	48.4
98.97575	33.6
99.08098	86.6
103.19690	36.3
107.08589	34.3
113.87853	30.8
119.08575	55.2
153.01813	40.3
173.74936	32.6
240.44250	34.2
247.08684	37.6
386.18561	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01862	5.2
55.05510	8.2
56.96544	4.5
57.03434	7.7
59.05000	3.3
67.05482	21.8
69.07053	12.2
70.20445	3.6
70.31287	7.9
70.31647	6.4
71.04977	10.9
74.06075	5.6
79.05495	21.8
79.19472	3.5
81.03421	17.9
81.07059	40.2
83.04966	6.1
83.08613	4.5
85.06539	10.3
91.05479	13.5
93.07040	21.0
95.04955	8.0
95.08596	16.3
96.84174	3.4
97.06543	8.5
105.07024	10.6
107.04946	13.7
107.08581	10.2
109.06533	25.7
109.10138	4.1
111.08075	4.6
112.15449	4.2
113.05976	6.7
117.07031	6.3
119.08570	9.5
121.10135	8.3
123.08043	14.2
129.06999	3.7
131.08540	9.5
132.72203	4.1
133.10165	5.6
135.08051	17.8
135.11705	14.5
145.06436	6.0
145.10130	8.1
147.11630	5.5
148.65144	3.5
149.13261	9.9
159.11713	13.3
161.09666	3.4
169.10150	3.7
171.27516	3.7
175.11333	4.3
177.12729	12.0
187.11168	5.1
201.55145	4.0
209.15384	4.1
217.15973	4.4
221.15533	5.1
253.94069	3.7
273.18381	10.5
287.20020	4.7
291.19424	5.7
305.21130	100.0
305.24658	4.8
323.22162	72.3
386.23944	4.0
400.67789	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01864	0.9
55.05509	7.9
56.05037	0.8
56.96567	0.8
57.03430	1.8
57.07076	10.2
59.04987	0.9
61.02924	1.5
67.05500	1.2
69.03438	4.2
69.07053	1.0
69.95168	3.1
69.95584	1.4
70.06578	1.8
72.08154	1.2
73.06549	1.7
77.20818	0.8
79.05474	2.7
81.03407	3.0
81.07053	2.3
82.67860	0.7
83.04989	0.8
83.08620	3.0
84.08138	0.9
85.02428	1.3
85.02908	15.7
85.06533	0.9
86.09679	2.8
87.04448	1.2
87.10019	0.9
89.06037	58.8
91.03954	0.9
91.05469	2.3
93.07036	2.2
94.62852	0.8
95.04987	0.7
95.08614	1.8
97.02917	5.0
97.06483	0.8
98.21448	1.1
98.97589	1.6
100.07610	0.9
101.09672	8.7
103.05450	1.1
104.07126	1.1
105.07036	1.6
107.07063	2.0
107.08570	2.1
109.10139	1.1
119.08587	1.9
119.10719	1.1
121.06509	3.0
121.10116	1.2
123.08029	0.9
127.03905	2.2
133.07661	1.3
133.08614	17.0
133.10127	0.9
137.06030	1.6
138.09152	0.9
145.04947	2.2
145.12233	10.2
147.11674	1.1
151.09668	24.6
167.07083	0.9
178.59177	0.7
179.46449	0.8
201.05327	0.7
202.05971	1.0
207.15927	100.0
208.16296	0.8
211.13272	0.9
324.19498	0.9
368.20465	1.4
368.24530	1.2
369.09189	0.8
386.21445	0.9
386.25714	1.3
387.15091	1.1
387.19904	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05514	14.1
57.03438	3.9
59.05010	2.0
65.03934	1.7
65.82551	1.5
67.05506	16.0
69.03436	4.6
69.07076	9.7
69.38451	11.9
71.04987	2.5
71.08632	12.1
77.80860	1.4
79.05523	12.2
81.03414	8.7
81.07057	17.4
83.04993	3.5
83.08624	9.6
85.02909	5.0
85.06544	3.9
91.05501	7.8
93.07052	11.4
95.04960	8.0
95.08599	8.4
97.02838	1.5
97.06564	3.0
97.10165	7.0
99.08099	9.4
105.07079	7.7
107.04976	2.3
107.08607	8.7
109.06523	4.9
109.10178	4.6
111.04456	2.8
111.08083	3.7
117.07030	2.8
118.84075	1.5
119.08595	7.8
121.06527	6.7
121.10150	6.3
123.08051	1.7
125.09643	7.1
127.03880	2.1
128.76596	1.4
129.06993	2.0
131.08577	3.3
133.10173	4.4
135.08041	2.8
135.11699	2.2
143.08647	2.2
145.10130	2.5
147.04242	1.5
147.11646	3.2
149.02393	3.7
149.09622	3.7
151.07529	1.7
151.11169	2.6
157.10106	4.9
159.08099	1.9
159.11691	3.2
165.12883	2.7
167.10684	4.6
175.11163	3.4
177.12755	3.0
181.12250	6.8
189.11249	4.2
191.14339	1.7
193.04933	2.8
193.12233	8.6
195.13899	2.2
211.13332	6.7
227.12753	2.1
275.20117	5.3
285.16971	2.3
293.21127	100.0
305.20944	3.3
351.25378	4.4
367.24881	27.2
368.25427	2.4
385.26321	9.9
401.24728	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05514	14.1
57.03438	3.9
59.05010	2.0
65.03934	1.7
65.82551	1.5
67.05506	16.0
69.03436	4.6
69.07076	9.7
69.38451	11.9
71.04987	2.5
71.08632	12.1
77.80860	1.4
79.05523	12.2
81.03414	8.7
81.07057	17.4
83.04993	3.5
83.08624	9.6
85.02909	5.0
85.06544	3.9
91.05501	7.8
93.07052	11.4
95.04960	8.0
95.08599	8.4
97.02838	1.5
97.06564	3.0
97.10165	7.0
99.08099	9.4
105.07079	7.7
107.04976	2.3
107.08607	8.7
109.06523	4.9
109.10178	4.6
111.04456	2.8
111.08083	3.7
117.07030	2.8
118.84075	1.5
119.08595	7.8
121.06527	6.7
121.10150	6.3
123.08051	1.7
125.09643	7.1
127.03880	2.1
128.76596	1.4
129.06993	2.0
131.08577	3.3
133.10173	4.4
135.08041	2.8
135.11699	2.2
143.08647	2.2
145.10130	2.5
147.04242	1.5
147.11646	3.2
149.02393	3.7
149.09622	3.7
151.07529	1.7
151.11169	2.6
157.10106	4.9
159.08099	1.9
159.11691	3.2
165.12883	2.7
167.10684	4.6
175.11163	3.4
177.12755	3.0
181.12250	6.8
189.11249	4.2
191.14339	1.7
193.04933	2.8
193.12233	8.6
195.13899	2.2
211.13332	6.7
227.12753	2.1
275.20117	5.3
285.16971	2.3
293.21127	100.0
305.20944	3.3
351.25378	4.4
367.24881	27.2
368.25427	2.4
385.26321	9.9
401.24728	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04641	2.0
53.03946	5.0
54.84158	2.2
55.05270	3.8
55.05517	58.0
57.03429	8.6
57.07074	16.1
65.03967	2.5
66.78758	2.1
67.05509	76.1
69.03433	100.0
69.07069	77.9
70.93524	5.5
71.04993	9.2
71.08633	8.6
72.04524	3.6
79.05052	3.8
79.05489	29.3
81.03426	15.2
81.06346	3.2
81.07062	76.8
83.04990	4.8
83.08622	56.7
85.02908	29.6
85.06553	4.7
85.10190	2.8
91.05492	5.6
93.07049	40.9
95.04968	3.5
95.08610	64.3
97.02904	32.3
97.06523	4.9
97.10175	28.5
99.04456	9.7
99.08096	3.7
105.07051	3.9
107.08596	26.4
109.02879	9.8
109.10162	43.4
111.08095	9.7
111.11725	9.3
112.27677	2.0
113.09654	3.6
117.07003	3.2
119.08588	5.0
121.09319	4.8
121.10154	50.1
123.11707	29.9
125.09651	4.1
125.13232	4.5
127.03933	58.9
128.71860	2.1
129.05525	3.4
131.08524	2.3
135.11687	38.8
137.13208	4.0
139.11203	3.3
145.05009	15.5
147.11737	3.1
149.13278	13.2
156.45848	2.6
163.14839	5.0
205.19542	31.5
223.20567	98.3
224.20847	2.5
251.23840	2.7
265.21780	2.3
307.22775	2.5
309.92715	2.3
331.22772	2.5
349.23627	3.0
367.24707	4.2
377.60040	2.7
385.25650	3.4
397.40417	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61812	2.0
53.03938	4.2
55.05277	3.6
55.05515	48.0
57.03415	7.4
57.07076	16.8
61.02896	2.6
65.03984	2.4
65.42818	2.1
67.05506	66.2
69.03432	100.0
69.07069	71.4
71.04980	9.2
71.08614	6.4
71.54623	3.3
79.05494	27.4
80.65488	2.0
81.03414	13.3
81.07061	88.4
83.04974	4.7
83.08621	52.7
85.02907	25.5
85.06548	5.3
85.10151	2.6
87.41725	2.3
91.05476	7.6
93.07051	34.6
95.05000	2.9
95.08607	56.8
97.02893	28.5
97.06517	7.5
97.10162	32.8
99.04432	9.4
105.07018	4.2
107.08589	21.2
109.02882	10.1
109.06529	3.5
109.10155	44.5
111.04442	2.6
111.08061	6.4
111.11717	11.5
119.08546	6.2
121.06487	2.3
121.09328	3.3
121.10149	44.0
123.11704	28.6
125.09538	3.9
127.03914	60.9
129.05516	3.5
133.10083	4.0
135.11693	37.1
137.09613	2.6
137.13240	4.8
139.11139	3.8
145.04955	16.2
149.13272	14.6
163.14754	2.9
166.00102	2.3
203.17998	3.8
205.19522	24.1
223.20570	96.5
223.22746	5.0
251.23572	3.9
276.61523	2.8
289.21558	3.2
313.21689	3.1
331.22623	6.0
367.24698	4.3
385.29156	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	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01866	2.3
55.05512	48.3
57.03426	4.8
57.07078	17.9
58.63654	1.9
60.38405	2.0
67.05509	68.6
69.03431	86.4
69.07074	61.0
69.58994	3.2
69.59409	8.8
71.01340	3.1
71.04986	5.5
71.08617	4.3
79.05495	21.6
81.03419	15.7
81.06588	4.3
81.07061	75.9
83.04990	3.7
83.08620	44.3
85.02910	23.7
85.06532	4.1
91.05479	7.2
91.82906	1.8
93.07056	34.1
95.04998	2.3
95.08610	46.2
97.02893	31.2
97.06520	6.9
97.10172	27.5
99.04475	9.8
99.08086	4.8
105.07043	7.3
107.08579	17.4
109.02874	9.6
109.10165	40.6
111.04488	2.6
111.08070	6.2
111.11713	8.4
113.75568	2.2
115.03915	2.7
119.08587	4.3
121.06572	2.5
121.10148	41.8
123.11710	27.3
125.13287	2.9
127.03918	56.7
129.05470	5.3
131.08531	2.4
135.11693	40.8
137.13243	4.0
139.11211	2.9
145.04991	14.7
145.10164	3.3
147.11687	3.3
149.13274	16.5
163.14830	6.9
205.05136	2.5
205.19542	33.3
210.36996	2.3
215.14081	2.1
223.20573	100.0
251.23782	3.8
289.21710	3.2
303.23227	3.8
307.22626	2.4
331.22684	6.9
349.23721	3.8
367.24887	4.7
368.42651	2.2
385.29364	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2376
Annotation	5-beta-14-Dihydroxy-bufa-3,20,22-trienolide
Peak:m/z	Relative Intensity
50.04248	0.6
52.97852	0.6
55.01872	2.4
55.05276	0.7
55.05517	9.5
56.96563	2.3
57.02523	0.9
57.03431	1.8
59.05003	0.7
63.57220	0.6
65.03954	1.0
67.05508	10.2
69.03435	2.4
69.07069	5.0
70.06589	1.1
70.33064	1.4
70.33456	2.0
71.05006	2.0
75.38683	0.6
79.05498	13.5
81.03417	2.3
81.07058	12.4
83.04990	3.0
83.08633	4.9
85.02925	2.4
85.06548	1.6
91.05486	9.2
93.07057	8.5
95.04965	5.0
95.08610	8.2
97.02905	1.9
97.06535	4.4
97.10178	5.1
98.06898	0.8
98.21455	1.0
98.72465	0.8
98.97580	1.5
99.04467	0.9
105.07044	10.1
107.04951	3.9
107.08588	8.4
109.06536	2.5
109.10171	4.3
111.08072	1.7
115.05435	1.8
117.07015	4.7
119.04916	0.7
119.08577	4.5
119.95599	0.7
121.06511	5.7
121.09372	0.7
121.10159	3.6
123.04455	1.6
123.08092	1.3
125.09651	2.4
127.03941	0.8
128.06265	1.9
129.07019	6.8
131.04922	4.9
131.08572	7.1
133.06479	3.8
133.10168	2.6
135.04388	0.8
135.08064	1.5
137.05969	0.8
137.09625	1.5
141.07010	2.6
141.55537	0.7
143.08582	5.6
144.05585	1.3
145.06488	26.0
145.10141	2.7
147.08025	3.7
147.11671	5.4
149.09642	1.9
151.07518	0.8
153.01842	4.0
153.07108	1.4
153.09067	0.9
155.04922	1.2
155.08546	3.8
157.06499	8.1
157.10162	2.4
159.04433	1.1
159.08054	8.4
159.11665	1.2
161.02432	1.1
161.06053	3.8
161.09642	1.5
163.03905	1.7
163.11205	1.1
164.04227	0.9
165.07025	1.3
165.12785	6.1
166.07794	1.1
167.08623	3.3
169.06500	5.2
169.10149	1.9
171.08043	9.4
171.11697	1.1
173.02376	0.9
173.05989	1.5
173.09628	1.7
175.07593	1.0
175.11186	1.3
178.07648	0.8
179.08597	1.6
181.06523	2.2
181.10159	2.5
183.08089	3.7
183.11746	1.0
184.07431	1.0
185.09598	4.3
185.13194	0.9
187.07591	1.0
189.09259	1.1
189.11122	0.9
189.80460	0.7
191.08667	0.8
193.12276	5.1
195.08113	4.6
195.11673	4.6
196.08881	1.2
197.09624	4.4
197.13280	3.8
199.07614	0.9
199.11201	2.6
207.11638	0.9
209.09694	2.1
209.13313	2.0
211.11185	4.7
211.13293	3.0
213.12776	2.7
215.07014	1.8
215.14442	1.1
219.11749	1.0
221.61388	0.7
223.11182	4.5
223.16856	1.0
224.12010	1.2
225.12721	4.6
227.14375	5.1
228.83438	0.7
235.11195	1.6
237.12755	6.6
239.14330	3.1
243.13824	1.2
249.12700	0.7
255.13800	19.8
257.15179	1.4
259.09604	2.0
260.10007	1.4
261.10458	0.8
265.16043	1.0
267.09048	2.2
268.09418	1.6
273.14868	16.6
281.15369	4.1
283.16953	1.8
285.10150	2.5
286.10522	1.3
287.16479	2.0
297.18332	0.7
299.11572	1.1
299.16324	1.4
317.12839	0.9
321.22021	1.4
325.10895	1.0
325.18118	1.7
331.20578	2.2
339.19507	1.5
339.23065	5.1
349.17343	1.4
349.21628	26.0
367.22681	100.0
368.22971	2.0
385.08890	1.1
385.19073	1.9
385.23737	55.7
386.24136	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09287	18.1
67.05506	100.0
69.07052	26.8
69.86706	38.0
69.87094	56.9
71.04959	24.6
77.49131	18.3
79.05499	38.5
81.07065	71.1
83.04959	42.3
91.05478	40.6
93.07026	43.8
95.08604	33.5
98.20709	20.2
105.07034	28.3
107.08589	33.7
109.10168	51.7
110.10495	22.7
119.08566	23.1
121.10172	24.4
124.67384	21.0
133.10167	31.8
151.11247	25.9
173.13222	19.8
190.29839	20.9
193.05011	30.0
197.04364	18.3
211.38719	18.5
233.15466	20.4
289.18005	67.8
295.93155	23.8
321.20596	21.8
348.22360	26.6
383.80566	40.8
384.23004	37.9
384.30847	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	384.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49484	6.7
56.96577	9.4
67.05493	25.2
69.07060	8.7
71.54665	7.2
79.05511	9.9
81.07075	18.5
90.97146	6.9
91.05477	8.9
93.07059	7.7
95.08605	9.0
107.08623	9.4
109.06551	8.2
109.10168	12.9
167.37212	6.3
175.46872	8.1
184.07201	7.2
193.95087	7.2
205.86050	6.7
264.32010	7.1
384.30850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57024	0.3
52.39008	0.3
56.96530	0.8
62.14195	0.3
71.00929	0.6
82.99842	0.5
96.07373	0.4
98.97588	18.7
99.97893	0.4
101.00889	2.9
116.98634	7.7
119.01182	0.4
119.01923	4.8
123.02166	0.4
134.99692	2.0
137.02838	0.5
140.98729	0.5
158.99895	2.1
175.03081	0.5
176.99399	0.6
177.00964	11.7
178.00951	0.4
182.99887	1.0
186.64742	0.4
194.70901	0.4
201.00960	3.1
216.98801	0.6
217.04106	3.4
219.02025	22.0
220.02036	0.6
225.00838	3.1
234.99886	0.8
236.99532	0.6
240.98755	0.9
242.98473	0.8
243.01991	11.1
258.99857	6.8
260.00037	1.6
260.99805	6.4
261.03076	100.0
262.03244	3.4
263.03159	0.5
264.98901	0.5
269.36646	0.3
277.00803	7.6
278.01071	1.4
279.00717	6.4
283.00018	3.9
284.00226	0.9
284.04590	2.2
284.99808	1.6
300.97949	0.5
301.01041	3.8
302.01508	0.6
303.01126	1.7
325.01099	0.5
327.01114	0.4
343.02448	1.9
360.99936	0.5
367.02023	2.4
385.03284	19.8
386.03519	0.7
403.04547	18.1
404.04517	0.4
408.05060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.5
55.05503	24.1
56.03509	10.5
57.03420	18.6
60.04522	20.5
67.05500	55.7
69.07065	20.5
71.54245	9.8
79.05491	36.2
81.07046	53.6
83.04961	32.9
83.08617	13.5
86.09731	12.2
91.05473	39.6
93.07047	44.6
95.04985	42.3
95.08620	33.3
95.89303	11.9
97.06490	11.6
97.10165	11.3
100.11279	20.0
103.05434	14.4
105.07036	58.1
107.04974	60.4
107.08578	19.8
109.06531	22.8
109.10184	26.8
112.05236	11.1
117.07057	18.1
119.08584	23.5
121.06533	13.5
121.10149	12.3
122.07307	13.7
123.08080	10.9
131.08574	26.8
133.06480	10.2
133.10141	23.0
135.08075	15.3
135.87077	10.8
141.55925	10.1
143.08614	11.9
145.06529	10.9
145.10068	19.1
147.08073	26.8
165.09210	15.3
187.14876	24.3
233.15378	48.7
265.17996	41.4
273.18604	22.7
290.18793	25.4
305.21124	22.8
307.22345	13.9
326.57202	11.6
336.28662	10.7
339.21585	30.8
343.03650	11.2
384.27408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.2
55.05497	8.0
57.03436	6.5
67.05515	33.3
69.07069	7.2
71.54865	6.3
79.05495	14.5
81.03420	15.9
81.07046	31.4
83.04990	14.8
83.08663	8.9
91.05481	11.2
93.07050	26.3
95.04972	5.7
95.08607	17.6
97.06526	8.1
105.07030	9.9
107.04969	17.2
107.08577	8.9
109.06514	5.9
109.10174	5.1
111.04435	20.1
111.05175	4.4
111.08022	4.8
114.09772	4.9
117.07040	7.4
119.08597	7.2
121.10168	7.1
123.08035	5.1
124.16774	4.4
125.05981	6.2
131.08539	9.6
133.10146	9.6
135.08044	5.0
135.11708	17.4
142.67624	4.4
145.06534	4.4
145.10117	10.3
147.07994	6.4
149.13263	9.4
159.11673	13.3
169.10159	8.7
177.12740	20.3
187.11165	9.2
209.15356	9.2
223.13293	6.2
241.14351	11.1
255.15948	20.1
261.18481	6.6
271.16907	6.4
284.79422	4.6
289.17981	72.6
293.20877	5.3
296.19916	4.3
303.19510	15.2
307.19028	12.8
321.20572	100.0
351.25336	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	384.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01877	7.4
57.03436	7.4
58.02960	8.5
61.02939	4.7
61.17263	0.9
68.99786	3.3
69.03434	40.3
70.06597	1.5
71.01355	1.0
71.04994	3.8
73.02918	4.9
79.05494	2.0
81.03422	26.7
81.07049	1.5
83.01403	1.1
85.02911	100.0
87.00835	33.1
91.03970	1.9
91.05481	13.3
93.07066	1.1
95.04940	1.6
95.51308	1.0
97.02897	21.5
99.04460	13.2
105.01869	30.0
105.07045	2.7
107.08616	1.0
109.02888	29.7
109.06539	1.3
115.03951	1.6
117.01881	2.8
118.06573	6.3
119.07330	15.4
120.08121	18.8
127.03925	57.9
129.01863	5.7
133.41801	1.0
136.07588	90.9
145.04962	23.0
145.06018	1.7
147.02878	3.2
151.07556	17.4
159.02898	13.5
183.58777	1.0
189.03947	3.0
191.11829	5.1
213.03897	1.7
219.11357	2.4
231.05005	12.9
238.74063	1.1
253.31819	0.9
354.39865	1.1
361.10873	1.5
384.12665	1.1
384.20029	1.4
391.78555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1156
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01893	1.0
56.96598	1.1
57.03458	3.4
69.03470	2.3
69.79340	3.0
69.79757	1.3
70.06620	2.0
71.01372	1.1
79.79623	0.8
83.05058	0.7
84.08154	1.7
85.02934	3.2
97.02892	1.4
98.21403	1.4
98.97617	2.5
99.04475	0.8
110.07196	1.9
119.03573	0.8
121.05154	0.7
129.10327	0.8
134.37535	0.7
135.06647	1.2
136.06194	21.4
136.07268	1.2
143.26674	0.8
148.06155	6.3
151.03957	2.4
154.04300	0.8
160.06244	0.8
161.05902	1.0
162.07758	33.4
163.52562	0.7
188.05696	13.8
192.05164	15.3
206.06735	8.2
208.95364	0.8
216.05237	0.9
234.06223	12.0
252.07303	100.0
253.07373	0.7
267.68173	0.8
270.14658	1.0
280.68173	0.7
299.99237	0.8
324.09888	1.1
384.11490	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03949	4.7
55.01860	4.0
55.05522	13.3
57.07089	10.5
58.53369	2.1
59.05005	5.1
66.00137	2.4
66.22429	2.0
67.05505	22.8
69.03420	15.6
69.07061	8.7
69.85114	10.4
70.98121	2.3
71.05019	4.0
79.05501	28.2
81.07063	38.4
83.04974	5.4
83.08619	4.8
85.06551	4.9
91.05483	41.4
92.10703	2.5
93.07047	89.4
95.04986	24.4
95.08608	38.2
97.06525	16.6
103.05479	3.4
105.06326	4.0
105.07034	76.1
107.04952	3.0
107.08601	45.5
109.06532	24.1
109.10145	14.8
111.08090	8.5
117.07015	10.0
118.35065	2.1
119.08590	51.2
120.09367	2.9
121.06499	14.7
121.10147	39.8
123.08067	29.6
123.11753	3.7
125.09662	2.7
128.06201	7.1
129.06982	14.3
130.07808	5.4
131.08574	31.3
133.06482	7.3
133.07498	2.0
133.10141	33.1
135.08041	23.4
135.11670	7.3
137.06058	2.7
137.09624	9.8
141.06996	3.7
142.07796	22.3
143.08565	26.9
144.09331	4.9
145.06445	3.0
145.10133	42.0
146.07294	2.8
147.08049	23.5
147.11681	17.1
148.08827	6.0
149.09671	18.7
151.07556	35.6
155.08537	7.5
156.09299	6.2
157.10147	41.8
159.08034	6.5
159.11697	17.5
161.09636	19.3
161.13297	6.5
163.11209	6.8
164.64821	2.2
165.09119	29.5
167.08504	3.5
169.10129	8.3
170.10887	4.3
171.11702	8.1
173.09666	10.7
173.13316	8.1
175.11174	22.9
175.14845	9.2
177.09070	11.6
179.08517	4.6
181.10152	3.7
181.12285	4.6
182.10985	2.6
183.11696	6.2
185.09627	3.1
185.13263	20.8
187.11189	6.2
187.14784	3.8
189.12801	13.3
191.14307	4.0
193.10095	4.3
195.11652	5.6
197.13290	7.6
197.22565	2.4
199.11174	5.8
199.14893	3.1
201.12735	8.6
203.10854	2.7
203.14323	27.8
207.11932	4.0
207.13823	13.4
209.13402	5.3
209.15239	4.5
211.11209	3.2
213.12758	2.8
215.14342	8.3
216.15106	3.5
217.12395	2.8
219.11812	2.8
219.13841	7.0
221.15378	78.8
222.15779	3.1
225.12767	4.7
227.14363	7.8
231.13889	3.1
233.15421	6.2
234.16205	11.0
249.16545	2.9
267.17416	2.3
269.19037	2.6
271.16953	2.9
281.19077	4.3
286.19348	6.6
287.19955	11.7
299.20175	5.0
303.19534	7.6
309.18518	2.7
337.09964	2.6
338.33649	2.4
346.37970	2.3
365.24835	20.1
383.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03945	5.4
55.05514	17.2
56.96538	2.8
57.03437	5.4
57.07087	12.7
59.04992	6.3
67.05505	32.1
69.03419	15.5
69.07072	12.7
71.04987	8.1
71.23124	4.8
71.23473	3.7
79.05500	32.2
81.03403	4.5
81.07068	39.9
83.04967	9.9
83.08604	7.5
85.02957	3.1
85.06546	5.8
91.05488	44.8
91.54121	2.4
93.07045	96.3
95.04980	26.7
95.08614	37.7
97.06527	16.1
97.10074	2.6
97.47675	2.7
102.03857	2.6
103.05504	3.8
105.04572	2.8
105.07035	76.8
107.04961	5.7
107.08600	49.6
109.05920	2.8
109.06551	24.6
109.10155	26.7
111.08065	7.7
115.05484	4.2
117.07014	11.3
119.08597	60.0
120.09323	5.3
121.06516	13.8
121.10150	42.7
123.08078	25.8
125.05956	2.9
128.06201	7.5
129.06995	10.6
130.07729	7.4
131.08588	36.2
133.06464	9.7
133.10141	33.0
135.08073	23.2
135.11601	6.0
137.09604	13.2
141.06982	4.0
142.07796	24.2
143.08560	29.2
144.09334	9.1
145.10146	47.4
147.08029	24.6
147.11653	13.7
149.09619	25.3
151.07565	39.5
155.08540	10.0
156.09312	5.8
157.10146	38.5
158.10922	3.4
159.08020	8.7
159.11679	19.3
160.08774	3.4
161.09637	21.3
161.13217	7.8
163.11177	7.1
165.07053	3.8
165.09143	29.8
167.08521	6.4
169.10126	7.5
170.10934	8.1
171.11719	11.1
173.09636	14.7
173.13213	6.9
175.11198	23.2
175.14799	6.5
177.09134	9.8
177.12865	3.5
179.08636	3.8
181.10136	4.3
182.10774	2.6
183.11717	6.9
185.09520	3.9
185.13263	15.2
187.11154	3.9
187.14764	3.8
189.12746	11.3
191.14326	3.7
193.10181	3.7
195.11711	6.0
197.13304	12.5
199.11140	3.1
199.14771	4.6
200.12036	3.1
201.12723	8.1
203.14336	30.0
206.10857	3.4
207.11804	4.4
207.13855	9.3
207.74222	2.8
209.13301	6.4
209.15343	5.8
211.14769	5.6
213.12617	5.7
214.74333	2.7
215.14420	12.3
219.13869	6.8
221.13399	3.3
221.15350	76.2
225.12927	3.4
227.14314	9.3
231.13899	3.8
233.15338	8.5
234.16153	12.1
265.16046	2.9
269.15186	2.9
281.77847	2.9
286.19397	4.4
287.20074	11.0
299.20023	3.6
303.19611	4.7
309.18417	3.7
342.62787	3.0
347.23166	3.1
365.24643	15.3
383.18375	4.6
383.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01868	3.2
55.05515	14.8
57.03425	2.5
57.07072	10.5
59.04989	5.9
62.62617	2.6
65.03931	2.8
65.25748	2.0
67.05511	28.7
67.11577	1.9
68.60468	1.8
69.03441	14.5
69.07072	10.8
70.81745	6.4
71.04994	5.6
77.03916	2.7
79.05492	30.5
81.03428	2.7
81.07059	40.1
83.04978	8.8
83.08624	5.1
85.06551	8.4
90.84985	2.1
91.05489	41.2
93.07051	90.9
95.04975	26.2
95.08611	38.5
97.06546	10.5
99.91433	2.1
103.05465	3.6
105.07037	68.7
107.04999	4.5
107.08601	38.8
109.06516	19.2
109.10169	22.6
111.04459	2.3
111.08077	6.9
115.05466	3.9
117.07026	10.4
117.75790	2.2
119.08583	56.6
121.06549	13.9
121.09329	4.3
121.10153	45.0
123.08085	24.9
123.11715	3.9
128.06226	6.7
129.07018	12.4
130.07739	3.8
131.08580	30.8
133.06505	7.8
133.10123	31.4
135.08075	23.1
135.11688	5.6
137.05948	3.6
137.09659	10.6
141.07053	5.6
142.07802	16.3
143.08569	20.2
144.09343	4.9
145.06458	3.3
145.10130	31.3
147.08055	23.8
147.11755	17.6
148.08789	2.4
149.09634	32.8
151.07553	30.8
153.09100	3.4
155.08507	5.1
156.09352	4.8
157.10147	38.5
159.08046	6.3
159.11722	14.0
160.08786	3.1
161.09624	17.8
161.13261	6.3
163.11206	7.2
165.09120	31.8
165.12772	2.5
167.08549	2.8
169.10109	4.0
170.10948	5.3
171.11703	10.3
173.09625	10.0
173.13289	9.3
174.10263	2.6
175.11215	23.3
175.14853	8.7
177.09140	13.7
178.09872	3.0
179.08598	3.2
181.10054	3.0
181.12285	3.8
182.10895	3.7
183.11726	8.9
185.09589	3.8
185.11861	2.2
185.13255	15.0
187.11226	7.2
187.14795	3.4
189.12744	10.2
191.14375	5.2
194.11003	3.2
195.11731	7.3
197.13269	7.7
199.14912	4.2
201.12776	10.7
201.16431	2.3
203.14339	33.1
207.11821	4.4
207.13821	12.8
209.13257	6.6
209.15396	7.8
211.11186	2.8
211.14885	3.1
213.12720	4.5
215.14374	7.2
216.15143	5.0
219.13828	6.9
221.13385	5.1
221.15367	91.5
223.14842	3.3
225.12747	3.3
225.16463	2.6
227.14276	10.7
231.13829	4.1
233.15421	7.4
234.16147	16.7
264.30386	2.2
281.19000	3.6
286.19446	4.0
287.20209	7.5
291.17264	2.8
299.20093	5.2
299.69778	2.5
303.19583	12.3
347.23502	4.3
365.24811	17.0
383.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2424
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03941	4.5
55.01878	9.1
55.05513	43.0
56.27811	3.8
56.96552	5.0
57.03442	9.1
67.05507	87.7
69.03419	9.0
69.07070	21.1
71.05006	4.7
71.55046	5.8
79.05496	30.8
81.03411	12.0
81.07067	48.6
81.99292	3.4
83.04971	12.2
83.08621	24.2
84.62070	3.4
85.02899	7.6
85.06529	5.5
88.99187	3.2
91.05472	27.0
93.07048	30.6
95.04984	17.1
95.08599	19.7
97.02892	7.3
97.06554	8.5
97.10168	16.3
100.94741	4.0
102.32957	3.3
105.07029	14.9
107.04950	6.8
107.08590	20.5
107.19823	3.7
109.06502	4.5
109.10158	42.2
111.08025	4.0
117.07037	7.2
119.08592	24.0
121.06495	5.8
121.10181	18.8
122.13473	3.3
123.08076	12.0
125.09652	19.1
129.07008	6.4
131.08568	11.2
133.10146	6.5
135.08043	5.9
135.11667	4.2
137.09630	8.4
140.17381	4.4
145.10149	10.6
147.08047	11.1
153.09120	4.2
155.10669	4.9
157.10228	4.0
159.11639	4.4
163.11183	4.6
165.09169	4.4
169.10069	4.5
171.11768	4.6
173.09550	4.4
173.11758	12.0
178.77539	3.6
185.09634	3.7
185.13284	3.5
189.11259	12.2
191.87865	3.5
193.12283	9.8
211.13278	9.6
223.13300	15.6
227.12801	6.4
273.18530	28.9
291.19565	100.0
347.22250	5.1
358.85492	3.6
365.23242	62.7
383.24451	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23891	3.6
55.01873	13.2
55.05513	41.8
56.96573	4.8
57.03430	11.0
67.05145	4.9
67.05506	100.0
69.03429	11.4
69.07073	26.5
69.70493	4.1
70.92681	8.6
71.04993	5.1
78.38151	4.4
79.05505	33.7
81.03419	16.9
81.07059	49.2
83.04990	12.0
83.08633	20.5
85.06539	5.9
91.05484	29.9
93.07056	27.6
95.04977	18.7
95.08614	24.2
97.02884	5.7
97.06561	7.2
97.10154	23.3
105.07030	22.8
107.04945	9.8
107.07977	3.6
107.08614	24.1
109.06521	7.8
109.10159	63.2
111.04399	4.7
111.08045	9.3
117.07059	5.9
119.08575	23.6
121.06553	8.4
121.10148	19.5
123.08089	18.0
125.09647	20.3
128.14439	4.1
129.06995	5.9
131.08580	14.3
133.06519	7.0
133.10153	14.7
135.08012	9.5
137.09587	8.3
143.08554	5.3
145.10129	12.3
147.08055	7.6
147.11714	8.6
149.09651	6.8
151.07675	3.9
157.10107	8.5
159.11760	6.4
161.09593	7.8
163.11185	5.7
164.93292	3.8
165.09119	4.8
171.11758	5.0
173.11760	15.7
175.11220	6.7
187.13377	5.1
189.11255	13.0
193.12219	10.9
201.12691	5.6
211.13298	4.4
223.13191	4.6
227.12708	10.1
230.69366	4.3
255.17476	5.1
273.18506	30.5
283.16901	9.9
291.19550	79.2
310.87283	4.8
334.63196	3.9
339.23120	6.3
349.16733	4.5
365.23334	46.7
369.89899	4.3
383.24652	41.6
394.85583	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
55.01869	12.8
55.05513	36.9
56.18013	4.2
56.96559	9.1
57.03424	12.3
57.07073	10.5
61.02898	4.5
67.05508	55.6
69.03420	12.0
69.07063	24.3
69.28306	40.6
71.04979	15.0
73.02924	4.9
79.05499	40.0
81.03412	8.4
81.07058	36.3
83.04975	14.1
83.08604	16.6
85.02901	26.8
85.06504	6.6
88.70542	4.4
91.05484	27.7
91.31730	4.0
92.49292	4.5
93.07047	36.0
95.04954	16.2
95.08593	23.5
97.06560	7.7
97.10159	24.3
98.20797	9.6
98.97586	16.0
105.07040	18.1
107.04987	6.6
107.08583	18.1
109.06522	4.8
109.10170	35.6
111.04395	4.9
113.93893	4.5
116.98583	5.9
117.07018	12.5
119.08595	24.3
121.10131	9.1
123.08052	11.8
125.09617	15.7
129.06978	4.8
131.08539	13.5
133.10138	10.1
135.11644	5.8
137.09602	6.3
145.10117	10.9
147.08009	7.4
147.11639	9.9
151.11147	4.6
157.10039	4.9
161.09647	7.0
163.11208	6.8
165.09151	5.0
173.11794	8.6
174.03720	6.2
175.62845	4.1
177.00633	4.5
181.09967	5.0
189.11197	16.2
193.12286	6.0
216.09261	4.5
219.01817	9.7
223.13266	8.3
227.12711	6.2
237.02789	14.2
256.07135	6.6
273.18414	23.3
279.03845	6.0
291.19568	100.0
297.10153	6.6
299.06763	7.0
310.57471	6.0
311.18961	4.5
342.08557	10.5
347.21780	7.0
348.49152	4.8
360.09488	7.6
365.23242	68.1
383.24460	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	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01870	13.9
55.05516	16.2
57.03423	6.5
57.07056	2.8
61.02926	2.9
65.03963	3.0
67.05499	23.8
68.99778	2.9
69.03095	2.9
69.03440	48.6
69.07066	6.1
70.62688	5.7
70.63018	3.3
71.01342	2.7
71.04993	10.6
73.02908	6.0
79.05498	27.2
81.03425	28.4
81.07068	55.1
83.04982	15.2
83.08651	2.6
85.02912	37.4
87.00842	19.0
87.70877	2.9
91.05479	28.3
93.06487	5.4
93.07053	99.0
95.04987	25.5
95.08611	31.0
97.02899	21.6
97.06520	10.1
98.20823	3.7
99.04456	9.1
103.05492	2.8
105.01881	6.5
105.07034	61.8
107.04964	9.2
107.08605	100.0
109.02855	11.6
109.06505	14.6
109.10154	12.4
111.04433	16.0
111.08110	3.7
115.03944	5.7
117.01790	4.1
117.07030	13.2
119.08596	29.5
121.06526	19.1
121.10144	34.4
123.04433	8.1
123.08062	6.1
123.11724	7.8
125.06040	3.4
127.03904	12.2
129.01823	9.0
129.07002	7.8
130.07828	3.1
131.08588	17.9
133.06505	7.5
133.10139	27.1
135.08063	11.6
135.11694	53.4
137.06027	3.4
137.09602	4.3
137.13263	4.1
139.03851	4.1
139.07530	5.7
142.07796	4.1
143.08543	8.3
144.09335	3.0
145.06532	4.4
145.10144	34.9
147.02861	2.8
147.08038	6.9
147.11676	26.9
149.09619	12.1
149.13248	7.5
151.07529	5.5
151.11168	7.5
151.12387	3.0
155.08684	3.4
157.10115	9.4
159.02873	6.6
159.08051	6.6
159.11702	16.6
161.09659	8.2
161.13245	5.9
163.11185	52.9
165.12779	26.3
169.10162	3.2
171.11707	3.8
173.09608	9.4
173.13197	5.8
175.11172	13.8
177.12790	17.0
181.12163	4.7
182.10947	3.0
183.11766	4.6
185.09621	4.4
186.55547	3.1
187.11250	6.4
189.03969	6.5
189.12764	10.9
191.10669	19.1
192.83836	2.8
193.12260	10.7
197.13242	7.5
199.06067	5.6
199.52695	2.8
201.03981	6.4
201.09067	3.0
201.12785	6.5
205.12236	7.2
207.13802	3.0
209.11690	6.8
213.12747	4.6
215.14276	8.1
217.12251	3.5
219.13864	6.9
221.15311	5.5
225.12698	6.7
227.12758	9.2
231.13918	6.5
233.15437	3.4
243.13832	31.6
261.14844	58.3
279.15881	12.5
321.16867	5.5
347.14960	25.8
365.16010	38.1
383.17038	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	14.1
55.01854	14.1
55.05514	21.9
56.96558	4.7
57.03429	16.6
57.07064	5.5
58.26622	3.0
59.05001	4.5
61.02911	8.0
65.03918	5.9
66.40104	3.5
67.05505	25.9
68.99773	12.6
69.03435	100.0
69.07066	21.1
69.11462	3.4
70.06586	11.1
70.32674	7.3
70.33067	8.7
71.01344	3.7
71.04990	63.5
73.02921	3.8
73.06566	4.6
79.05504	45.3
81.03415	59.7
81.07060	41.0
83.04987	23.4
83.08587	4.1
83.35358	3.7
84.08104	4.2
85.02436	5.8
85.02911	71.3
85.06548	4.6
86.03244	3.6
86.09694	8.3
87.00828	32.1
87.04441	5.7
91.05486	65.8
91.35683	3.4
93.07050	65.9
95.01324	5.6
95.04967	26.1
95.08598	25.3
97.02900	50.2
97.06514	4.4
98.97563	6.1
99.04451	9.6
99.08088	7.9
103.05451	6.8
105.01870	13.4
105.07034	89.9
107.04966	24.1
107.08599	74.1
109.02873	14.5
109.06525	20.3
109.10168	30.3
111.04430	17.0
113.06003	4.2
115.03920	8.3
115.05379	6.0
117.01858	8.1
117.07013	24.5
119.04987	20.2
119.08585	51.0
120.08121	3.3
121.06506	37.9
121.10153	40.3
123.04417	12.9
123.08079	22.7
123.11683	15.3
125.05977	11.2
127.03928	21.1
127.07516	12.3
128.06219	7.5
129.01846	6.9
129.07008	14.6
130.05000	3.5
130.07796	10.0
131.08580	47.4
133.06473	13.8
133.10138	25.0
135.08057	19.5
135.11723	22.8
137.05989	9.1
137.09587	15.5
137.13216	4.8
139.03891	4.3
139.11084	5.0
142.07689	3.9
143.08578	16.4
145.06458	10.9
145.10114	56.1
147.02885	5.1
147.04401	31.0
147.08058	29.1
147.11693	20.9
149.06038	7.6
149.09619	52.5
149.13248	4.3
151.07578	9.2
151.11163	16.2
155.08551	14.0
157.06413	6.3
157.10085	9.1
158.07271	5.0
159.02827	9.9
159.08028	12.8
159.11708	19.6
161.09576	10.3
161.13248	7.0
163.07529	5.9
163.11198	26.0
165.12753	19.2
171.02942	6.5
171.08069	11.2
173.09637	60.6
173.13242	7.0
175.07555	22.4
175.11172	12.5
177.09218	7.1
177.12729	27.7
179.10707	4.2
179.14275	5.2
183.08084	5.4
183.11700	5.7
189.03940	7.1
189.09137	9.6
189.12788	12.5
191.10706	54.3
191.14311	5.7
193.08662	5.7
193.12221	7.6
197.13335	8.0
199.11169	5.6
201.03922	18.0
201.08942	5.0
201.12703	13.3
207.13782	8.7
209.11771	18.0
215.14326	11.4
219.13812	10.5
225.12682	8.3
231.05058	5.4
233.15269	6.2
237.14891	6.4
243.13802	36.9
261.14859	44.3
279.15860	20.1
283.08533	4.8
299.05487	9.0
307.08640	6.2
347.14987	21.1
361.04163	18.1
365.16013	29.9
383.17038	59.5
383.21341	4.9
403.04791	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01404	1.3
53.87087	1.3
55.01860	1.8
57.03424	2.9
59.26827	1.6
61.02941	2.9
68.98624	1.4
69.03438	10.2
71.18393	3.4
71.18764	2.0
73.02918	2.0
81.03404	5.2
82.02927	1.4
84.06657	1.3
85.02915	32.0
94.06592	2.3
97.02916	12.0
98.97604	2.9
103.03982	1.7
109.02863	4.6
118.06546	5.0
127.03922	6.7
130.06535	56.3
131.00337	1.5
132.04468	18.5
132.08113	5.5
142.06560	1.8
143.01900	2.2
144.06952	1.7
144.08078	21.7
145.05103	2.1
145.07622	20.3
146.06003	10.8
148.07588	5.3
154.06548	6.6
156.08192	4.6
157.07622	61.9
158.06021	44.2
159.09192	8.7
160.07570	4.5
169.07628	5.9
170.06078	3.8
170.08357	1.9
171.09186	6.0
172.07626	11.3
174.05525	6.0
175.08690	57.1
176.07088	3.3
178.24608	1.4
181.07732	3.5
182.08437	2.6
183.09190	15.2
184.07625	3.5
185.07135	9.2
186.05540	3.1
186.07881	3.2
187.08673	3.9
188.07193	2.4
196.07574	1.8
197.07036	2.1
199.08647	12.4
200.07065	19.4
201.10214	1.5
203.08177	100.0
204.06610	3.3
207.09184	2.4
209.07098	8.0
215.08282	3.3
217.09735	27.6
221.09229	52.1
227.08183	11.4
231.07681	6.2
239.03915	1.7
240.13408	1.6
245.05373	1.5
245.09248	23.3
257.09164	2.8
263.10312	50.7
265.09479	1.7
266.08032	2.7
269.09244	2.8
275.10385	2.3
283.10849	2.0
287.10147	1.7
292.11679	1.7
299.10229	5.3
301.11880	2.5
302.09991	2.6
329.11340	4.1
347.12375	10.3
348.10873	10.1
365.13455	36.7
383.07950	6.3
383.14542	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92939	1.6
53.03947	2.5
55.01869	4.8
55.05511	16.6
56.05019	1.6
56.96544	2.0
57.03432	5.8
58.06605	38.0
59.05000	1.8
60.04226	2.6
60.04530	49.8
67.05508	23.3
68.05035	21.8
69.03422	3.9
69.07074	35.3
70.06586	4.3
70.19780	2.9
70.20174	3.1
71.04983	5.5
71.08637	3.0
72.04502	2.4
72.08157	1.6
79.05495	22.1
81.03416	4.0
81.07065	24.9
82.06582	8.7
83.04980	6.7
83.08624	4.3
84.08144	4.1
85.06536	2.0
86.09222	2.7
86.09709	33.5
88.07624	6.5
91.05489	14.1
93.07054	19.6
94.06565	1.7
95.04967	5.9
95.08600	12.4
96.08139	100.0
97.06537	32.6
97.08913	5.9
98.09702	2.1
99.08070	2.0
100.07622	14.9
105.07049	13.8
107.04955	4.4
107.08608	12.8
108.08115	4.4
109.06527	4.6
109.10152	9.2
110.09682	1.4
111.08096	4.1
112.07601	8.5
114.09172	30.9
115.05452	1.7
115.07630	2.3
117.07048	7.6
119.08585	10.1
121.06509	5.1
121.10178	8.9
123.08075	3.1
124.07605	1.7
125.09633	1.7
128.06178	1.4
128.10713	19.7
129.07030	2.9
131.08562	10.6
133.06493	2.3
133.10141	8.6
134.09692	3.4
135.08064	11.9
135.11691	4.6
137.09615	4.9
138.09145	9.9
142.07733	1.5
143.08572	4.8
145.10147	8.9
146.09702	1.6
147.08037	6.3
147.11714	5.4
149.09619	6.5
149.13264	1.6
151.11223	1.6
156.10211	97.2
157.10155	4.9
159.11699	5.0
161.09621	4.3
163.11145	3.0
171.11731	3.4
173.09648	2.2
173.13188	1.9
175.11259	3.1
177.12773	4.7
185.13361	1.7
227.17891	1.9
233.15279	1.9
237.16438	2.5
245.19116	5.0
255.17482	7.9
272.20117	2.4
273.15454	2.8
273.18506	56.6
276.74960	1.5
277.21530	2.7
278.21182	1.8
287.19986	2.1
290.21185	4.4
291.19611	6.2
304.22726	7.4
305.21155	22.4
310.94440	1.4
322.23816	16.7
332.22198	2.0
364.24753	9.0
382.20987	2.8
382.25888	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01869	4.6
55.05513	16.5
55.73217	1.3
56.96558	2.2
57.03431	5.5
58.06604	37.1
60.04529	49.3
67.05508	20.5
68.05029	20.4
69.03429	4.2
69.07069	34.3
70.06591	2.1
71.04981	3.7
71.54788	1.7
72.08150	3.5
79.05494	19.7
81.03412	4.5
81.07056	21.5
82.06583	6.9
83.04976	7.0
83.08622	3.7
84.08126	7.0
85.06509	1.3
86.09705	28.5
88.07630	3.9
88.16246	1.4
88.35526	1.5
91.05492	15.5
93.07047	21.4
95.04977	5.1
95.08604	10.4
96.08135	99.4
97.06537	38.8
97.08905	7.7
98.09697	2.4
99.08095	2.3
100.07625	15.4
105.07040	12.2
107.04955	5.3
107.08606	12.4
108.08096	5.1
109.06522	5.1
109.10176	7.6
110.09673	2.1
110.81525	1.4
111.08067	5.8
112.07615	7.5
114.09172	33.7
114.09975	1.8
115.07579	2.6
117.07014	7.7
119.08579	10.3
121.06513	4.2
121.10170	8.3
122.09644	1.4
123.08083	3.8
123.11729	1.6
124.07597	1.6
125.06020	1.7
125.09643	2.6
128.10716	15.9
129.07021	3.8
130.08643	1.6
131.08546	13.9
133.06467	1.7
133.10117	10.6
134.09630	1.9
135.08049	11.7
135.11713	4.4
137.09615	6.4
138.09148	11.9
143.08606	4.1
143.29230	1.6
145.10112	7.4
147.08043	5.9
147.11743	3.0
149.09625	5.3
149.13261	2.7
151.11211	2.7
154.08762	1.6
156.10213	100.0
157.10199	3.2
159.11745	4.8
161.09636	4.0
163.07722	1.6
163.11182	2.9
169.10152	1.8
170.11734	2.7
171.11702	3.4
173.13280	2.7
175.11194	4.2
177.12749	2.9
185.13303	1.9
189.12929	1.7
227.17868	1.6
229.07289	1.8
233.15634	1.5
245.19064	4.8
255.17468	3.8
272.20038	2.0
273.18506	49.6
278.21231	2.8
287.20163	1.4
290.21213	3.9
291.19611	4.1
292.45828	1.6
304.22620	8.0
305.21121	22.7
308.69519	1.3
322.23718	18.9
331.49149	1.4
332.22241	2.4
340.24939	1.8
364.24887	9.6
377.01761	1.7
382.25900	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.172
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
52.32455	0.4
53.03935	0.5
54.96725	0.4
55.05493	0.8
56.05022	0.5
56.96555	0.9
57.03431	1.0
60.04234	0.5
60.04526	9.7
61.02932	1.0
63.02349	0.4
67.05197	0.4
67.05509	3.5
69.03437	3.1
69.07053	1.1
69.37949	2.0
69.38375	1.4
69.69467	0.4
70.06606	2.3
71.04978	1.8
72.08154	1.3
73.02906	0.7
74.06085	1.0
79.05479	1.7
81.03407	1.9
81.07064	3.4
83.04962	0.8
83.08609	0.8
84.04469	0.7
84.08144	1.6
85.02911	4.5
85.06551	2.3
86.09692	1.6
91.05489	1.2
93.07072	1.1
93.24128	0.4
93.71186	0.4
94.04071	0.5
95.04891	0.5
95.08621	0.9
97.02908	2.8
97.06528	2.1
98.21454	1.0
98.97571	1.8
99.04465	0.5
99.08141	2.4
101.06010	0.7
105.01839	1.1
105.07043	0.8
107.08562	1.4
109.02881	1.3
109.06535	0.5
110.07127	0.6
116.98631	0.7
117.09093	0.4
119.03545	1.1
119.08629	0.9
120.08135	0.9
121.10136	1.6
123.08015	0.7
125.09595	1.6
127.03953	2.5
129.05467	0.4
129.10266	0.7
131.00177	0.4
133.10114	0.4
136.06189	100.0
139.11150	0.5
141.09148	4.4
145.05037	1.0
147.04390	0.7
148.06163	2.1
151.03932	0.4
156.07762	0.7
159.06625	1.4
163.03909	3.1
164.04282	0.5
167.10687	2.2
173.08237	0.5
175.09846	0.9
177.00775	0.5
185.08232	5.6
185.11716	3.5
197.01364	0.5
202.10887	8.7
203.12819	2.3
220.11940	98.9
221.12222	0.6
231.04922	0.8
237.02884	0.6
239.02264	1.0
249.06071	0.4
292.22864	0.6
314.94928	0.6
346.25894	1.2
364.01703	0.6
364.27005	2.2
382.17258	40.1
382.27856	12.0
383.06476	1.1
383.13147	2.8
383.17416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
54.40005	2.0
55.01865	7.2
55.05507	7.0
56.44302	2.1
56.96572	2.9
57.03424	9.5
59.04998	2.6
60.04527	15.3
61.02917	6.9
62.50205	2.0
65.55505	2.2
67.05489	3.7
69.03436	36.5
69.07069	4.9
70.02937	4.6
70.06597	18.9
71.04990	10.2
71.54028	2.9
72.08160	3.4
73.02917	7.7
79.05489	6.9
81.03429	23.0
81.03884	3.6
81.04494	2.1
81.07063	22.1
83.04974	2.9
84.08147	8.7
84.13680	2.1
85.02908	90.1
85.06522	2.5
86.09717	13.7
87.00830	40.1
87.04478	2.7
87.05593	19.5
91.03955	3.6
91.05491	21.2
93.07053	8.2
95.04977	4.6
95.06113	3.0
95.08621	4.6
97.02901	46.7
97.06530	5.9
98.97587	9.8
99.04448	13.9
99.08119	6.9
105.01866	62.7
105.07030	4.7
107.04912	3.7
107.08583	4.8
109.02882	19.1
109.10157	4.0
110.07181	12.2
117.01859	3.8
117.09161	5.2
119.04944	8.3
120.08099	5.3
121.06503	6.3
121.10130	3.9
125.05948	3.0
127.02972	4.0
127.03917	67.9
129.10262	3.9
132.10223	4.8
135.06837	5.5
135.11732	3.9
135.93596	2.5
136.06218	6.7
136.07590	75.0
137.05948	4.0
145.04961	35.6
149.09619	2.4
151.03909	3.9
152.05669	3.6
153.12769	16.0
159.02890	8.0
160.07593	15.0
167.10718	8.2
171.13826	5.0
178.08641	16.9
184.07874	2.3
185.11789	12.2
189.03851	2.8
190.05084	2.3
216.06725	2.2
219.01929	2.8
219.10216	2.1
223.10779	100.0
231.04993	17.2
237.02776	4.4
237.13261	2.1
249.06068	7.2
251.10284	21.1
251.14944	2.0
266.08054	4.2
278.95923	2.1
281.08649	3.5
323.19785	3.6
362.11331	5.2
382.15106	6.0
382.19711	2.9
382.27243	3.0
385.92429	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13944	0.4
66.36082	0.3
67.05479	0.4
69.07069	0.6
69.77272	1.0
69.77682	1.3
79.05507	0.5
81.07054	0.8
93.07046	0.7
95.04990	0.4
98.21403	0.8
102.99188	0.5
105.07052	0.5
131.08545	0.4
135.11665	0.4
179.70776	0.4
248.03899	0.4
267.09052	1.3
285.10153	1.6
300.92313	0.5
333.17377	0.4
363.27377	0.5
381.26126	100.0
382.26587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
53.29697	1.6
55.01867	3.0
55.05511	21.5
57.03424	2.7
57.07077	8.0
62.04856	1.4
67.05507	26.8
69.03433	9.5
69.07069	32.2
69.29587	15.4
71.05006	3.6
71.08632	21.0
79.05500	13.7
81.03403	9.8
81.07059	40.6
83.04983	4.4
83.08624	14.6
85.06548	3.0
86.56441	1.7
91.05495	12.8
93.07047	19.1
94.48012	1.7
95.04923	1.8
95.07990	2.0
95.08611	38.8
97.02896	4.7
97.06529	5.3
97.10171	7.3
99.04447	4.1
99.08092	21.0
105.07030	12.3
107.08584	21.2
109.02903	2.1
109.06522	10.3
109.10163	18.5
111.04465	4.0
111.08062	4.5
117.07095	2.2
119.08587	13.1
121.06510	3.7
121.10143	16.5
122.17847	1.7
123.08076	41.3
123.11682	6.0
125.06020	4.7
125.09603	2.1
127.03923	5.2
127.46359	1.7
129.05495	3.2
131.08585	7.4
133.10144	14.7
135.08057	9.9
135.11728	8.4
137.09615	4.2
137.13280	4.6
139.07533	3.5
145.10130	7.3
147.11693	7.6
149.09657	4.6
149.13300	8.7
151.11171	3.2
153.12723	8.4
157.10158	2.3
159.11732	5.7
161.09618	2.3
161.13248	4.0
163.11151	2.2
163.14844	3.2
165.12750	2.8
173.13249	3.1
175.14847	5.0
177.12746	2.8
177.16362	2.8
179.14305	50.4
181.12270	2.1
187.14799	2.3
189.16374	2.4
191.14337	2.1
192.30927	1.9
193.15919	4.9
212.42558	1.7
221.14978	1.7
237.22110	2.9
251.20061	21.2
275.19913	2.5
285.25430	2.0
293.21103	10.7
293.28479	4.9
303.26819	17.9
307.22583	3.7
321.27875	7.8
331.26328	70.5
345.24091	8.5
349.27390	100.0
363.25125	5.4
363.28967	62.1
367.28326	2.5
381.26068	8.0
381.30640	8.7
398.51935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66942	0.6
55.01863	0.9
55.05496	2.1
55.41656	0.7
56.96309	0.9
56.96569	15.5
57.03438	1.2
61.02917	1.4
66.20081	0.7
67.05507	4.6
69.03413	1.3
69.07054	2.5
70.98129	0.6
71.04982	1.7
71.54601	1.1
71.95249	2.2
72.44038	0.7
73.02915	0.9
79.05489	3.9
81.03415	1.4
81.07070	5.3
83.04957	1.0
83.08615	1.0
84.96012	0.7
85.06572	0.7
91.03955	1.0
91.05465	2.5
93.07028	3.0
95.04974	1.5
95.08591	2.1
97.02879	1.5
97.06533	1.4
97.96808	1.4
98.97593	3.0
105.07021	1.9
107.04937	0.9
107.08588	1.8
109.06527	0.6
109.10156	1.9
110.97585	4.3
116.98624	1.7
119.08607	1.9
120.28426	0.7
121.06518	0.7
121.10122	1.9
124.99060	1.0
128.98616	4.9
131.00156	1.0
131.08597	1.8
133.10100	1.9
135.11728	0.9
142.74068	0.6
143.00148	1.4
143.08612	1.0
145.10094	1.6
146.99661	2.4
147.07994	0.8
147.63428	0.6
149.01236	1.5
151.00598	0.7
152.00224	0.7
155.03735	0.9
155.08568	0.8
158.99724	0.8
161.01241	0.8
161.09583	0.8
163.11087	0.8
171.03323	0.9
173.04857	1.1
177.00658	1.0
181.05257	0.7
183.06859	1.1
185.01242	0.8
185.04843	2.2
189.04353	1.1
197.04907	1.4
199.06433	5.5
201.07910	1.9
203.05911	1.5
205.07399	0.8
211.02773	1.9
211.06300	3.9
213.08008	2.6
216.09206	1.7
217.07498	5.5
224.08031	2.1
225.04372	1.2
225.08017	1.5
229.07481	24.7
229.09697	1.4
231.08963	1.1
231.10999	0.9
237.08105	1.4
239.05807	0.7
239.09502	1.4
243.09023	2.6
247.08569	13.7
249.08315	0.7
251.09552	1.9
252.09117	2.8
253.11061	1.5
255.09000	3.9
257.10623	1.7
261.10071	1.0
261.18301	0.8
265.11197	6.1
267.08987	1.4
268.09787	3.2
269.10565	4.4
269.17511	0.7
270.10187	1.0
271.12216	2.1
273.10071	1.4
279.09082	1.3
283.08890	0.7
283.12186	14.7
286.10876	1.4
286.92877	0.7
287.11685	1.5
289.18027	1.4
299.11398	0.8
301.13248	3.1
306.13773	2.4
311.11795	1.4
315.16354	1.5
329.12534	1.3
331.15805	7.0
333.17349	2.9
349.16827	6.6
351.18335	1.2
363.18198	1.5
381.19501	100.0
381.23526	3.7
382.19745	2.1
399.20605	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04891	1.1
63.17936	1.1
70.01566	3.9
70.01968	1.8
70.80455	1.1
90.87672	1.1
98.20866	1.2
201.01625	1.9
212.66685	1.1
219.02583	1.9
381.07956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05500	0.7
56.96566	1.2
57.03434	0.5
57.75886	0.4
60.04517	0.7
64.06762	0.4
65.18250	0.4
65.90862	0.4
69.03432	2.7
69.07065	0.9
70.06588	1.5
71.53549	0.7
72.08142	2.0
73.02927	0.6
79.05492	1.0
81.03401	0.9
81.07042	1.1
83.04986	0.6
83.08621	0.7
84.08132	1.4
85.02910	1.9
86.09693	1.9
91.05492	0.8
93.07082	0.9
95.08607	0.9
97.02885	1.4
98.97598	3.0
105.07025	1.0
107.08606	1.2
109.02842	0.6
109.06528	0.5
109.10139	0.6
110.07166	0.6
110.97578	1.1
112.99120	0.8
116.98637	0.6
119.08568	0.9
121.10125	0.6
123.08138	0.5
127.03899	0.6
128.98618	1.0
129.10219	0.7
131.00166	1.3
131.08586	0.6
133.10129	0.5
136.07558	0.9
137.05983	1.0
149.05931	0.4
154.01695	0.5
166.04988	0.5
171.42519	0.5
173.13177	1.2
175.14850	0.8
177.00734	0.5
177.05521	1.1
185.04128	1.1
188.07185	0.4
191.06941	0.5
191.14316	1.2
205.05763	0.5
215.08224	0.6
219.01805	1.3
219.06313	0.6
223.04568	0.5
236.55988	0.9
237.02832	0.8
239.08185	1.2
253.12946	1.1
255.07018	0.8
256.12228	0.8
259.04642	0.5
261.08667	0.6
267.07703	2.0
271.14066	0.5
273.08282	1.0
285.08713	1.4
303.09854	0.7
313.08206	1.6
318.10272	0.5
331.09354	1.8
339.11835	1.3
361.10468	0.8
363.12134	0.6
381.11548	100.0
382.11984	1.5
399.11566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
55.05502	1.7
55.93517	1.2
56.05029	1.5
56.96303	1.2
56.96568	15.7
58.09009	1.3
60.04533	20.5
67.05502	4.0
69.03426	3.9
69.07072	2.8
70.06589	4.1
71.05002	2.0
71.53133	1.9
72.08141	3.3
72.93781	1.7
73.02931	1.4
78.22811	1.0
78.71176	0.9
79.05510	3.9
81.03410	3.2
81.07050	3.3
83.08622	1.1
84.04523	1.4
84.08150	3.3
84.96021	5.6
85.02917	6.2
85.06553	2.7
86.09713	3.5
87.00858	1.4
91.05479	5.2
93.07051	3.5
95.04968	1.4
95.08612	2.5
97.02898	4.6
97.06528	1.8
98.97591	33.3
99.08128	1.1
102.05546	1.7
105.07045	2.2
107.08639	1.6
109.02850	1.2
110.07166	1.1
110.97584	8.9
112.99153	3.4
113.06003	3.3
116.98623	13.7
119.04951	6.9
119.08597	1.3
120.03876	1.0
120.08150	1.3
121.02875	3.1
121.10175	1.3
127.03928	2.8
128.29213	1.1
128.96397	2.2
128.98625	8.4
129.10229	1.6
131.00183	2.6
131.08504	1.4
132.08102	1.2
132.95844	1.4
134.99652	3.3
135.11707	2.9
136.07646	1.3
142.08659	1.1
143.00168	6.6
144.95821	1.2
144.98096	1.4
145.02852	1.8
146.99643	3.5
147.04407	13.7
149.01187	1.3
152.96371	1.3
158.97415	2.6
158.99701	3.8
160.09731	1.6
161.01213	7.1
163.03883	1.5
164.07022	1.5
166.25827	1.1
170.99710	1.5
172.33768	1.0
175.00665	1.6
177.00708	3.6
177.05405	1.8
189.00710	1.3
191.00177	2.7
193.01740	2.8
200.98701	4.4
201.00565	1.3
209.01230	3.1
211.02869	1.5
218.97456	2.5
218.99678	25.0
219.01796	9.8
234.98975	3.7
237.00719	100.0
237.02856	10.2
238.06137	1.3
253.00217	1.4
255.01802	31.9
260.02289	2.9
260.98392	2.1
261.00812	2.7
271.00482	1.1
272.98398	1.5
273.03046	2.5
278.99142	1.3
279.01785	4.7
287.00165	1.3
294.64719	1.2
297.00357	1.6
297.03223	1.3
300.08545	1.5
303.01782	2.5
305.03525	1.9
315.01984	2.6
326.23117	1.2
333.00107	1.4
344.24261	3.0
345.02979	1.9
362.25644	5.8
363.04337	13.7
363.25821	1.8
380.26410	9.5
381.05011	65.1
381.11493	35.1
381.20770	1.4
381.26859	2.5
382.05734	1.2
384.99149	1.1
399.05899	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	380.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01872	2.7
55.05489	5.5
56.05029	4.1
56.96552	8.5
57.03429	3.0
60.04530	100.0
66.16348	1.8
67.05501	20.0
68.05032	1.7
69.03444	9.1
69.07069	9.1
69.32591	16.4
70.06596	11.9
70.71603	1.6
71.04980	8.0
72.08144	6.5
73.02840	1.8
74.06073	2.5
79.05151	1.6
79.05498	20.1
80.05010	5.4
81.03407	6.7
81.07062	15.6
82.06563	4.1
83.04961	5.5
83.08593	2.7
84.04500	5.7
84.08130	8.7
84.96017	3.1
85.02900	9.7
85.06553	9.7
86.06048	1.9
86.09704	6.5
89.03909	2.8
91.05486	11.0
93.07041	18.6
94.06549	3.8
95.04951	7.4
95.08614	12.3
96.08142	3.4
97.02881	5.3
97.06519	8.2
98.06040	1.9
98.20777	3.0
98.97585	16.3
99.04446	3.4
99.08083	4.6
102.05536	4.2
103.12514	2.0
105.07022	7.7
107.04939	3.0
107.08577	10.5
107.22891	1.7
108.08131	1.9
109.02844	2.9
109.06499	6.3
109.10157	9.4
110.06079	3.0
110.97544	3.5
111.04487	2.2
111.08072	5.3
113.05981	4.0
114.09135	2.1
116.07082	3.3
116.98588	6.7
117.03367	3.7
117.07014	3.7
119.04913	5.4
119.08582	5.2
120.08056	3.8
121.10162	5.3
123.08080	4.4
124.07570	4.0
125.06005	3.8
127.03925	2.9
128.98573	3.3
129.10237	2.9
131.08627	3.7
133.10179	3.1
135.04385	4.4
135.08025	2.7
135.11694	14.6
136.07588	2.3
137.09598	6.9
142.08652	6.4
143.00134	2.2
147.04420	17.4
153.09074	2.8
153.12727	7.1
156.10205	3.0
158.99638	2.8
159.11679	2.4
160.09625	4.0
161.01259	2.9
163.03937	10.8
164.04288	2.5
165.09070	6.3
171.13785	9.4
173.13063	2.2
174.11301	2.8
176.07057	2.5
177.05440	4.6
180.26027	1.8
183.10182	7.8
193.04898	2.5
201.11214	7.7
216.08809	7.1
217.09135	14.9
218.99637	8.2
219.01843	5.8
231.10567	2.5
234.98970	2.8
235.99329	2.0
237.00696	31.6
237.02753	3.0
241.09146	2.5
255.01935	11.4
277.98810	2.9
280.69937	2.3
287.09662	3.9
290.21051	2.3
299.09634	1.8
308.22211	8.8
326.23203	6.8
344.24313	17.1
362.25345	38.3
363.04031	4.0
374.61044	2.2
380.09738	4.2
380.14389	12.0
380.18500	4.1
380.26410	80.0
381.05032	25.6
381.11514	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	379.2845
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.05507	2.3
57.07080	18.3
67.05508	3.2
69.07076	4.2
69.83217	3.2
79.05497	2.1
81.07064	4.1
83.05023	1.1
85.06556	16.1
86.09719	1.3
91.05493	1.6
93.07056	3.2
95.08614	3.3
95.36251	0.9
97.06512	1.7
97.10075	0.9
105.07004	1.8
107.08610	4.3
109.06525	9.9
109.10165	2.1
111.04433	2.4
117.84650	0.9
119.08577	2.1
121.10165	1.8
123.08093	1.7
125.06007	2.4
135.08051	1.2
135.11742	2.2
136.86755	0.8
137.05994	2.1
145.10146	1.6
147.11702	2.4
151.07561	6.1
161.13252	1.3
161.49663	0.9
177.52397	0.8
181.12115	1.0
195.13887	1.3
247.58296	0.8
263.20087	100.0
264.20535	0.9
279.13583	1.0
295.22696	2.0
305.24823	9.0
319.26334	1.7
329.24936	1.0
347.25867	11.4
351.28986	3.5
361.27301	2.2
379.28531	15.5
379.33151	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57668	0.7
55.01869	1.9
55.05518	5.6
57.07079	38.5
67.05515	8.6
69.03412	0.8
69.07073	17.8
69.35294	6.4
71.04994	2.0
71.08620	0.9
73.06570	0.8
79.05502	6.8
81.07065	10.9
83.04969	2.1
83.08636	4.4
85.06552	27.3
91.05484	4.5
93.07055	10.9
95.08618	9.1
97.06523	7.0
98.21574	1.5
98.74592	0.8
105.07015	3.7
107.08607	8.9
109.06528	9.5
109.10172	3.6
111.08101	3.7
111.11722	0.8
119.08592	4.3
121.06507	0.7
121.10197	3.8
123.08083	5.7
123.11713	0.9
129.01834	0.7
131.08604	1.1
133.10147	4.0
135.08063	33.5
135.11703	14.2
137.06010	1.1
137.09550	1.2
137.13234	0.7
145.10153	3.1
147.11693	3.0
149.09618	3.4
151.07535	2.5
153.12770	7.3
157.10092	0.8
159.11684	1.9
161.09641	1.9
163.11182	2.8
165.12779	4.0
167.14381	1.5
177.12773	13.9
179.14319	1.4
181.12277	1.0
185.15131	0.8
191.14351	2.7
193.12312	1.2
195.13985	0.9
201.14970	1.3
205.15797	1.1
231.15933	3.7
261.37976	0.9
263.20074	22.1
293.21262	5.4
295.22815	1.2
305.21091	1.9
329.24832	1.5
347.25708	1.6
351.29013	1.6
361.27386	100.0
362.27734	2.5
379.18817	1.9
379.24261	2.0
379.28604	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03933	2.5
55.01865	4.0
55.05513	20.4
57.03421	3.2
57.07079	11.9
67.05507	19.6
69.03426	1.9
69.07074	25.6
69.85866	8.3
71.08616	6.5
79.05499	14.4
81.07059	33.9
83.04977	6.6
83.08614	9.9
85.06560	9.9
91.05486	9.5
93.07053	19.9
95.04965	5.4
95.08606	27.1
97.06519	12.5
97.10178	3.3
98.20788	1.6
99.08077	3.8
105.07031	13.1
107.08600	27.4
109.06525	12.2
109.10157	11.8
111.04445	30.8
111.08079	7.2
117.07018	1.9
119.08578	8.9
121.06544	2.8
121.10150	11.7
122.07242	1.8
123.08044	10.6
123.11689	4.4
125.05993	18.2
131.08585	3.0
133.10156	8.2
135.08073	17.6
135.11687	17.9
137.06023	9.2
137.09633	2.6
137.13272	2.6
139.07545	2.4
145.10114	10.5
147.08041	1.8
147.11699	5.1
149.09648	4.2
149.13260	3.9
151.07584	3.5
151.11246	2.5
153.12775	8.0
163.11195	9.5
163.14844	2.6
165.09079	2.4
165.12784	5.3
167.14314	2.2
177.12784	6.3
179.14320	6.5
181.12242	11.8
183.13759	1.6
187.14891	1.9
193.12280	2.0
193.15947	1.5
195.13817	5.1
199.14787	1.6
221.18994	4.5
235.20683	2.7
249.18570	3.7
263.20041	4.8
287.23685	3.1
294.86621	1.6
301.25198	2.7
305.24753	100.0
306.24988	2.0
319.26340	17.7
329.24768	5.8
333.27829	1.9
347.25827	97.0
348.26199	2.6
351.28912	24.0
361.27441	16.7
379.28452	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.56022	0.6
51.66260	0.6
53.03938	0.9
55.01880	4.0
55.05271	1.0
55.05516	13.0
57.03431	1.3
57.07082	20.1
59.04996	1.0
65.03948	0.8
67.05185	0.9
67.05509	15.1
69.03428	1.3
69.07072	21.3
70.98154	0.9
70.98474	0.7
71.04996	1.7
71.08626	1.4
79.05069	0.9
79.05495	10.6
81.07064	30.9
83.04988	5.6
83.08620	8.2
85.06552	11.5
91.05487	8.8
92.21571	0.6
93.07050	17.1
95.04958	2.5
95.08614	20.1
97.06521	7.9
97.10142	1.2
103.96168	0.6
105.07047	9.7
106.04362	0.7
107.08602	18.3
109.06534	13.1
109.10170	8.5
111.04456	9.4
111.08092	3.7
113.51274	0.6
117.07035	1.3
119.08582	10.3
121.06506	1.6
121.10140	10.7
123.08071	8.9
123.11739	3.9
124.05193	0.9
125.06013	7.2
125.09622	1.1
126.06791	0.8
131.08566	4.8
133.10127	7.7
135.08069	16.4
135.11699	8.1
137.05991	40.9
137.09633	1.9
137.13242	1.6
138.06729	1.0
139.07579	2.5
143.08563	1.5
145.10126	3.3
147.08070	2.0
147.11716	7.0
149.09637	3.9
149.13281	5.0
149.61467	0.7
151.07565	6.9
151.11203	4.1
151.14850	0.9
152.08340	2.8
153.12770	2.6
157.10158	2.1
159.11705	3.0
161.09589	3.9
161.13307	2.8
163.11197	2.8
163.14847	1.5
165.09125	4.3
165.12761	5.4
167.14401	0.9
171.11732	1.6
173.13275	1.5
175.11189	3.2
175.14847	0.9
177.12749	6.3
177.16423	0.8
179.10687	1.4
179.14314	3.6
181.12320	1.0
189.12766	1.4
189.16411	0.8
191.14294	1.7
193.12273	1.9
194.12956	1.5
195.13901	0.8
203.17938	1.4
207.13744	4.4
213.16411	0.8
221.18951	0.8
228.74649	0.7
231.17520	1.5
233.19063	1.6
249.18643	1.9
261.18576	1.1
263.20068	7.0
277.17978	4.0
291.19601	1.8
293.21097	0.9
301.25156	1.3
305.24725	1.7
311.23663	1.0
319.26349	11.5
323.22290	2.3
329.24817	4.0
333.27948	0.9
347.25839	78.0
348.26276	1.9
351.28952	34.3
361.27405	11.8
379.28458	100.0
380.28885	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	16.3
55.05518	49.0
57.03425	6.1
57.07061	10.2
58.49126	5.5
67.05511	86.4
69.07048	25.6
69.75813	11.9
69.76219	23.5
71.05003	36.9
73.06553	9.9
74.65252	6.1
79.05495	53.2
81.07059	100.0
83.04981	76.8
83.08631	13.3
91.05474	21.8
93.07050	71.3
93.74714	6.0
95.04960	7.3
95.08621	74.3
95.60115	6.6
101.06022	96.4
105.07035	21.6
107.07973	5.5
107.08582	37.1
109.06456	13.0
109.10174	47.4
117.07017	14.5
119.08641	12.7
121.10146	37.3
123.08062	6.7
123.11700	16.3
131.08546	18.5
133.10139	18.3
135.07991	8.4
135.11678	29.5
143.81583	5.9
145.10158	9.5
147.04280	6.2
147.11649	7.7
149.13284	14.6
159.11682	8.2
161.13220	7.8
173.13326	14.4
177.12692	8.1
209.15372	8.3
243.21060	10.5
261.22147	22.5
279.23340	8.0
347.25827	36.0
373.66565	5.9
379.24426	23.3
379.28482	24.7
379.34299	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30823	1.7
55.01860	6.5
55.05507	17.5
57.07078	21.4
67.05511	16.1
69.07078	23.2
69.42407	3.9
69.42815	9.9
71.04974	2.2
73.81308	1.6
79.05489	8.3
81.07057	28.4
83.04973	6.4
83.08607	8.2
85.06553	12.7
91.05489	6.4
93.07050	20.3
95.04988	2.2
95.08607	20.5
97.06532	7.8
97.10189	3.3
101.09649	3.8
105.07050	9.9
107.08605	21.2
109.06514	13.6
109.10153	10.3
111.04457	9.7
111.08059	2.5
119.08590	10.5
121.06485	2.2
121.10174	8.5
123.08082	9.4
123.11702	5.1
125.05984	8.0
131.08569	3.6
133.10101	7.6
135.08055	12.4
135.11685	7.3
137.05983	35.3
145.10130	4.9
147.08055	2.7
147.11676	7.2
149.09624	5.1
149.13239	4.2
151.07555	3.9
151.11220	3.3
152.08351	2.1
153.12733	3.9
157.10181	2.8
159.11748	4.2
161.09660	5.6
161.13283	3.8
165.09163	2.3
165.12813	4.1
175.11174	5.1
175.15041	1.8
177.12779	8.1
179.14261	2.3
181.12256	2.1
189.12869	2.5
191.14337	2.2
194.12999	3.5
195.13849	2.1
207.13776	4.1
233.18915	3.2
247.20798	2.6
249.18651	2.3
263.20148	4.6
277.17938	4.1
281.11298	2.0
285.99612	1.8
301.25204	2.0
319.26242	10.1
329.24768	6.9
347.25830	93.8
351.28973	37.2
361.27448	14.3
379.28470	100.0
380.28601	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	379.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56775	0.4
69.96237	2.1
81.33448	0.5
95.78564	0.5
98.21049	0.8
162.11774	0.5
169.42970	0.4
195.44586	0.5
379.24561	100.0
380.25122	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24705	0.3
69.97022	1.3
75.47121	0.3
77.50711	0.4
86.33241	0.4
98.21017	1.0
149.05733	0.5
192.48994	0.4
235.13043	0.6
277.14072	0.6
320.22574	0.4
333.16397	0.5
343.09622	0.4
349.23389	0.5
374.70044	0.4
379.24573	100.0
380.24841	1.9
393.05524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25542	2.9
52.80198	2.5
53.13644	2.6
55.01851	3.0
55.05505	8.2
56.96556	8.8
57.07077	16.7
57.07305	3.0
61.65235	2.5
67.05504	22.1
69.07036	12.3
70.20541	8.7
71.08609	3.4
79.05470	11.7
81.07050	27.1
81.88475	2.9
83.08598	8.9
91.05460	7.0
93.07056	16.8
95.04960	6.3
95.08601	23.4
97.06519	4.0
105.07001	9.4
107.08578	12.2
108.92078	2.6
109.06509	3.1
109.10104	8.6
119.08559	3.7
121.10104	10.9
123.11645	3.3
131.84468	2.7
135.11630	3.3
171.03270	3.5
229.07431	3.4
231.15640	3.1
283.12137	6.8
343.29745	3.5
361.31009	27.1
379.18692	100.0
379.32108	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	379.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87456	0.6
56.45317	0.6
67.05524	0.7
67.61909	0.6
69.58519	3.7
74.24736	0.5
77.74858	0.6
81.07088	0.8
91.04864	0.6
130.86131	0.6
137.05768	0.8
149.05824	0.9
150.06509	0.8
163.11246	0.6
179.06801	2.5
188.40698	0.6
205.08406	2.2
205.12039	0.8
219.10037	1.1
220.10767	0.9
225.96022	0.6
233.11359	0.9
235.13039	9.9
236.13824	1.5
265.14194	1.5
275.16287	0.6
277.14139	7.8
289.17859	1.6
333.16830	4.1
345.20435	1.7
361.19980	2.6
362.20605	0.9
379.20853	7.3
379.24658	100.0
380.24939	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04420	0.9
71.04771	1.7
86.09708	4.3
91.05467	2.1
93.66012	0.7
104.74688	0.7
147.00674	0.7
160.07549	0.7
178.75726	0.6
205.72069	0.8
206.07913	0.9
227.05336	1.3
249.08783	1.4
271.04349	2.0
293.09976	3.2
335.11029	23.9
371.94778	0.8
379.10010	100.0
380.10294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97187	0.4
55.05509	0.7
56.96556	0.6
62.58717	0.5
69.03431	0.7
69.73534	0.9
69.73952	1.7
70.06585	1.1
72.08142	1.8
77.79118	0.4
79.05524	0.5
81.03415	0.6
83.08635	0.5
84.08130	0.5
85.02908	1.1
86.09698	1.4
91.05476	0.8
93.07040	0.7
95.08591	0.8
97.02872	0.5
98.97554	0.7
105.07064	1.0
107.04960	1.4
107.08593	0.7
120.08077	1.2
147.04420	0.6
158.99754	0.6
177.05408	0.7
180.06482	0.5
185.04208	1.8
194.04323	0.5
214.11832	1.0
217.04787	3.1
219.01855	0.5
379.09998	100.0
380.10382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84906	1.1
53.03943	2.4
55.01868	2.8
55.05499	1.3
56.05033	1.4
56.96570	3.0
57.03420	2.1
60.04523	2.6
61.02928	2.6
67.05513	1.5
69.03434	5.6
70.06597	13.9
71.04997	1.8
71.52242	1.8
72.08149	5.5
73.02899	2.0
79.05495	2.4
81.03410	3.0
81.07057	1.3
84.04520	7.5
84.08121	2.0
85.02908	14.3
86.09723	6.3
91.05490	8.8
92.66335	1.1
93.07053	8.2
93.55420	1.2
95.04987	2.4
97.02884	5.6
97.06497	1.6
98.06037	2.3
98.97588	4.1
102.05535	1.4
103.05454	4.6
105.03397	2.8
105.04577	1.5
105.07024	1.8
109.02860	1.7
109.06514	5.1
110.06880	2.1
110.97561	1.3
112.02188	2.6
116.07107	9.4
116.98613	1.4
119.04940	2.2
120.08105	5.1
121.06517	12.4
121.10149	4.2
127.03928	5.7
129.10188	1.9
130.03236	1.6
130.06532	2.0
136.07590	3.8
137.06012	1.5
144.06569	1.6
145.04909	2.3
146.05318	1.3
149.05992	2.5
151.03952	1.8
156.07767	1.3
163.03900	5.0
163.11104	1.3
166.06316	6.8
170.08109	3.6
176.07095	2.7
180.08684	2.2
181.08607	100.0
182.04289	1.3
198.12062	2.4
199.09695	11.8
203.12152	1.5
216.13284	2.0
219.01730	1.4
234.99065	1.7
235.10956	1.2
237.02870	1.7
296.60434	1.7
339.78769	1.3
367.57840	1.4
378.08606	2.9
379.09790	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	377.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.5
57.07039	3.3
67.05506	6.4
68.76713	3.4
69.07031	3.7
69.79575	14.4
79.05496	3.4
81.07042	6.9
82.65689	3.9
83.04984	13.5
91.05468	6.2
93.07051	3.6
95.04981	6.1
95.08620	6.6
97.46292	2.8
105.07014	4.2
107.08601	6.5
109.10198	3.9
119.08557	3.5
145.10068	4.3
217.66927	3.1
221.13164	4.4
241.09117	3.0
242.09666	10.1
336.20850	5.7
353.21652	4.5
354.21973	47.1
355.21759	3.9
377.17249	100.0
377.23047	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	377.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
53.99743	2.1
55.01868	7.2
55.05518	25.0
56.96567	6.1
57.03435	8.0
57.07074	3.4
59.05011	5.0
67.05506	35.7
68.89603	2.1
69.03442	10.5
69.07076	28.5
69.17640	25.3
71.04986	11.2
73.06553	3.3
78.25957	2.3
79.05495	22.3
81.03434	12.0
81.07064	73.4
83.04996	12.9
83.08618	18.4
85.02921	18.1
85.06551	11.0
86.09710	5.8
87.00829	4.2
88.31193	2.4
91.05479	29.7
93.07063	28.0
95.05000	6.7
95.08614	81.9
96.08923	2.5
97.02901	7.2
97.06539	23.8
97.10186	9.4
98.97624	13.5
99.04481	3.9
99.08109	10.9
101.06029	3.1
105.07034	36.8
106.96609	2.2
107.05003	2.8
107.08587	15.8
109.02892	5.6
109.06525	7.3
109.10163	13.9
111.04456	2.4
111.08116	8.8
113.09637	4.2
115.07620	3.9
116.98642	3.3
117.07011	3.3
119.08598	46.4
121.06517	7.6
121.10165	18.5
123.08083	9.1
123.11728	3.0
125.00004	4.2
125.09644	3.3
127.03942	3.7
129.07088	3.1
129.12773	5.0
131.08524	8.4
133.10159	34.1
135.08051	3.2
135.11688	18.3
137.09618	5.1
137.13281	18.7
143.08595	4.4
145.10136	10.2
147.08058	5.1
147.11714	3.6
151.11223	3.2
157.10086	3.5
158.99719	2.5
159.08121	3.3
159.11713	5.4
161.09666	2.4
161.13268	98.1
163.03915	2.1
173.11807	5.5
175.11220	2.9
179.14330	100.0
184.07349	11.2
185.09659	2.4
187.11319	3.0
192.58089	2.6
197.15395	35.2
201.00739	3.2
215.16451	3.3
237.14928	3.3
291.21832	2.8
308.02655	2.8
310.34164	2.6
323.14963	3.3
323.18375	4.8
377.19495	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	377.1457
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03954	1.8
55.01859	0.9
55.05510	0.5
57.03445	6.6
59.04977	0.7
59.87722	0.4
61.02922	3.1
64.20072	0.4
69.03436	14.1
69.80868	2.1
70.06593	0.6
71.01367	2.2
71.05001	3.3
73.02920	2.3
75.04514	1.9
81.03426	3.8
84.08207	0.4
87.04438	0.7
92.05074	0.4
99.04465	4.4
117.05483	1.2
120.08080	1.5
136.07628	0.4
145.07632	2.2
157.06389	0.5
157.07611	0.4
159.09216	0.6
170.07123	1.0
172.08707	28.2
190.09720	1.3
198.06628	7.3
200.08211	4.8
214.09761	0.5
216.05606	0.8
216.07697	16.9
218.09201	0.7
224.11699	0.6
229.08502	0.5
243.08795	70.1
244.07185	1.0
316.26807	0.4
359.13538	2.8
377.14575	100.0
378.14923	1.5
393.63751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48959	2.5
56.96565	6.3
58.54295	2.5
67.05509	8.7
69.07056	5.0
70.06617	2.6
71.04994	4.5
71.54682	4.2
77.01816	2.5
79.05505	5.9
81.07082	5.0
85.34760	2.4
91.05476	4.8
93.07050	5.1
95.08608	6.0
97.06527	2.6
105.07072	5.3
126.62185	2.3
133.10181	4.2
145.10037	3.7
158.23808	2.3
159.11732	3.2
167.42273	2.9
203.06842	2.8
209.11549	25.4
232.10948	3.0
242.18280	5.2
270.37375	2.7
270.91092	3.7
278.21924	2.4
331.15134	52.8
336.20746	3.5
349.61862	2.5
354.22015	7.6
377.17471	38.7
377.23071	100.0
378.23605	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	377.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.4
67.05543	1.1
69.03445	1.3
70.06589	2.6
71.52119	1.0
72.08142	2.0
78.20915	0.8
78.39279	0.8
84.04477	1.1
84.08120	1.3
85.02919	1.7
86.09721	1.3
97.02917	1.2
98.97599	11.1
109.06551	0.9
110.97572	2.3
112.99110	1.0
116.98615	5.4
121.02891	1.8
126.96994	0.8
127.03920	3.6
128.98619	1.9
129.05481	1.4
134.99661	1.2
146.99608	1.0
147.03310	1.6
158.99680	2.4
163.03886	1.1
177.00719	3.0
189.00656	1.3
189.04335	2.3
213.04366	1.1
215.05849	1.5
219.01778	5.0
231.05501	1.9
237.02914	6.5
252.07292	1.3
257.06641	1.1
261.09503	3.2
276.32440	1.0
291.07513	3.8
309.08585	11.7
316.77676	0.9
317.09036	2.3
333.09061	1.0
335.10193	4.6
351.09671	2.5
371.37503	1.0
377.08597	15.7
377.14191	100.0
378.14322	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
55.05508	22.2
56.96579	2.4
57.03445	3.1
59.04998	3.2
65.03937	1.8
67.05507	91.4
67.96848	1.6
69.03428	3.1
69.07068	8.9
69.75051	7.3
71.04995	77.4
71.08628	14.8
79.05488	13.1
81.03402	2.2
81.06590	2.9
81.07059	38.7
83.04996	2.0
83.08624	20.1
85.06538	4.7
86.09695	5.1
91.05463	9.1
93.07047	16.8
95.08608	15.5
97.06532	2.8
97.10168	22.4
97.72163	1.6
98.21419	2.5
99.08086	13.5
104.10745	3.0
105.07036	4.0
105.41413	1.7
106.44873	2.2
107.08594	14.5
109.10159	77.1
111.08087	4.0
117.07027	3.2
119.08591	6.7
121.10146	4.3
122.61073	1.8
123.08055	2.2
123.11705	4.0
125.00008	4.0
125.09641	25.9
131.08572	3.0
133.10146	4.5
135.08087	5.2
135.11725	5.1
137.09601	4.6
139.07549	2.6
145.10085	2.2
147.11731	2.2
149.13191	2.8
151.11198	4.9
153.09088	5.4
154.30780	1.6
155.10661	23.5
155.14294	17.5
157.12277	1.9
159.11760	5.7
161.13271	3.9
163.11131	2.8
173.11745	100.0
177.12753	5.6
182.65822	1.8
184.07352	3.0
187.13295	99.9
203.12785	29.2
209.15489	2.0
240.09935	3.8
241.17871	9.4
259.20575	4.8
277.21655	26.4
278.63928	8.7
291.23157	7.2
309.24258	10.0
316.76044	1.8
317.17960	5.0
334.19232	3.5
335.19070	1.9
353.16092	4.2
377.17578	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.6
55.01862	16.1
55.05268	5.0
55.05516	59.6
55.92512	3.6
56.96557	14.0
57.03447	31.5
62.63034	3.9
67.05511	100.0
67.16060	4.0
69.03426	15.8
69.07070	55.4
70.06580	4.9
71.04989	38.1
71.23828	5.2
71.24154	4.3
75.04482	4.0
79.05496	49.4
81.03416	29.4
81.07067	60.8
83.04967	11.6
83.08621	26.9
85.02894	17.0
85.06541	11.8
86.09715	6.0
87.04458	5.4
91.05476	29.0
93.06568	4.6
93.07061	47.8
95.04961	18.2
95.08608	67.7
97.02877	15.2
97.06528	49.6
97.10194	34.0
98.97585	14.4
99.04424	5.8
99.08061	6.7
104.23303	4.4
105.07051	19.6
107.04924	10.4
107.08622	28.2
109.02861	7.0
109.06526	38.8
109.10160	56.4
111.04437	7.5
111.08080	16.1
113.06011	5.9
115.03940	4.2
115.07573	46.8
117.07019	9.5
119.04929	4.7
119.08567	17.9
121.06496	12.7
121.10150	22.9
123.04415	5.0
123.08081	28.3
125.09656	43.5
127.07540	12.4
128.98660	4.1
129.07054	5.9
131.08540	12.2
133.06483	9.1
133.10133	5.7
135.04411	5.6
135.08049	17.7
135.11612	4.7
136.77841	4.1
137.05957	5.9
139.07533	12.0
139.11192	4.4
141.09138	5.3
143.08542	6.2
145.10101	10.1
147.08080	6.3
149.09550	8.6
151.07541	16.8
153.07080	5.4
153.09087	14.4
155.10678	10.7
161.09653	5.5
163.03949	7.6
163.11162	5.8
170.01311	4.4
173.11739	52.2
177.09071	5.3
184.07396	6.5
189.11215	22.1
189.12726	5.7
191.10643	5.8
193.12314	5.0
209.11708	16.1
213.11212	37.3
227.12769	13.5
235.13249	9.2
237.11179	5.3
249.14742	4.5
255.12260	7.2
259.16794	7.4
263.12790	7.9
267.09222	5.8
287.16464	24.7
295.60507	4.6
301.06464	4.0
305.17593	21.8
314.88672	4.4
323.18460	8.0
345.97754	4.8
376.24765	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	376.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.6
55.01862	16.1
55.05268	5.0
55.05516	59.6
55.92512	3.6
56.96557	14.0
57.03447	31.5
62.63034	3.9
67.05511	100.0
67.16060	4.0
69.03426	15.8
69.07070	55.4
70.06580	4.9
71.04989	38.1
71.23828	5.2
71.24154	4.3
75.04482	4.0
79.05496	49.4
81.03416	29.4
81.07067	60.8
83.04967	11.6
83.08621	26.9
85.02894	17.0
85.06541	11.8
86.09715	6.0
87.04458	5.4
91.05476	29.0
93.06568	4.6
93.07061	47.8
95.04961	18.2
95.08608	67.7
97.02877	15.2
97.06528	49.6
97.10194	34.0
98.97585	14.4
99.04424	5.8
99.08061	6.7
104.23303	4.4
105.07051	19.6
107.04924	10.4
107.08622	28.2
109.02861	7.0
109.06526	38.8
109.10160	56.4
111.04437	7.5
111.08080	16.1
113.06011	5.9
115.03940	4.2
115.07573	46.8
117.07019	9.5
119.04929	4.7
119.08567	17.9
121.06496	12.7
121.10150	22.9
123.04415	5.0
123.08081	28.3
125.09656	43.5
127.07540	12.4
128.98660	4.1
129.07054	5.9
131.08540	12.2
133.06483	9.1
133.10133	5.7
135.04411	5.6
135.08049	17.7
135.11612	4.7
136.77841	4.1
137.05957	5.9
139.07533	12.0
139.11192	4.4
141.09138	5.3
143.08542	6.2
145.10101	10.1
147.08080	6.3
149.09550	8.6
151.07541	16.8
153.07080	5.4
153.09087	14.4
155.10678	10.7
161.09653	5.5
163.03949	7.6
163.11162	5.8
170.01311	4.4
173.11739	52.2
177.09071	5.3
184.07396	6.5
189.11215	22.1
189.12726	5.7
191.10643	5.8
193.12314	5.0
209.11708	16.1
213.11212	37.3
227.12769	13.5
235.13249	9.2
237.11179	5.3
249.14742	4.5
255.12260	7.2
259.16794	7.4
263.12790	7.9
267.09222	5.8
287.16464	24.7
295.60507	4.6
301.06464	4.0
305.17593	21.8
314.88672	4.4
323.18460	8.0
345.97754	4.8
376.24765	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	376.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12674	0.6
56.96312	1.0
56.96571	16.2
57.07064	0.8
57.50784	0.6
69.07066	1.1
69.44050	2.7
69.44470	1.7
71.08622	1.5
71.95258	3.3
84.96034	1.3
86.09709	0.6
88.07601	0.7
88.11270	5.0
93.07046	1.0
95.04956	0.6
95.08602	0.9
97.96791	1.7
98.20781	0.9
98.97566	0.6
107.08575	0.8
109.06509	1.2
110.97572	7.5
115.97814	0.7
116.98614	0.7
123.01109	0.6
128.06108	0.6
128.98624	8.1
137.02721	1.1
143.00175	1.4
146.99648	4.2
152.00130	0.6
161.01266	1.0
165.12796	3.9
171.03293	1.5
175.02844	0.7
185.05005	0.9
189.04385	1.4
205.41884	0.6
209.04900	0.7
223.08643	0.7
249.08000	0.9
263.09549	1.7
271.20700	0.7
277.11096	2.3
278.24734	1.8
291.12732	1.2
312.32385	0.7
313.32996	0.7
314.33301	1.2
315.16400	0.9
317.17880	44.4
333.17401	2.7
335.18939	100.0
336.19327	1.7
353.20023	16.9
358.20547	20.7
358.30804	0.7
359.20993	0.8
375.36404	0.6
375.81030	1.1
376.21866	3.6
376.31952	3.4
376.36862	2.3
399.23123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
55.01874	15.7
55.05512	100.0
56.23127	8.2
56.61761	8.9
57.03445	45.3
58.04197	10.2
59.05008	8.0
66.73009	8.5
67.05507	91.9
69.03441	17.3
69.07059	32.2
69.57578	55.2
70.06603	9.4
75.04504	42.3
79.05495	63.6
81.03405	37.4
81.07055	55.1
82.06567	8.8
83.04977	22.6
83.08630	42.4
85.02895	12.5
86.27649	8.4
91.05487	48.9
93.07051	42.4
95.04964	33.3
95.08586	20.3
95.68120	7.9
96.81919	7.6
97.06524	22.9
97.10165	82.4
98.97534	12.6
105.07030	34.4
107.08587	40.1
109.06562	11.5
109.10142	20.2
111.08088	12.9
117.07003	12.8
119.08556	29.8
121.10110	13.1
125.09627	56.4
125.14338	8.6
129.07004	9.4
131.08548	19.7
133.10130	13.2
139.97881	8.6
143.08713	9.3
147.11650	9.9
175.11208	10.8
189.11241	28.0
191.21881	10.2
193.12306	10.0
223.13301	31.6
275.20050	12.7
297.84027	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	376.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50345	0.5
53.03951	1.1
55.01873	1.1
57.03433	1.6
59.04992	0.6
61.02919	3.2
68.05019	0.5
69.03428	6.9
69.75990	3.1
70.06580	1.2
71.04996	1.0
71.98627	0.5
72.08169	0.6
73.02897	1.0
75.68128	0.5
81.03408	2.4
84.04494	1.3
84.08150	1.1
85.02909	24.6
85.24179	0.5
85.75146	0.5
86.09695	1.3
90.22639	0.5
91.03949	1.7
91.05465	0.6
93.07080	0.6
97.02907	6.7
97.04839	0.5
98.97585	0.6
99.04455	1.6
100.48005	0.5
109.02869	1.6
122.03672	0.7
124.02153	0.7
127.03922	5.1
128.64520	0.5
129.34561	0.5
134.83456	0.5
137.05983	100.0
145.04970	7.8
148.05983	0.9
149.09590	0.7
150.03745	1.0
151.07542	2.0
177.05533	0.5
179.07048	40.5
179.10469	1.1
179.90945	0.5
180.08664	2.8
195.06549	0.5
197.08113	6.9
204.38115	0.5
211.13232	0.6
213.11205	0.8
214.05347	1.2
214.11475	1.2
232.42799	0.5
250.14488	2.3
268.15439	1.2
269.58926	0.6
292.06284	0.6
296.44467	0.6
332.17096	0.9
376.13214	0.8
377.17706	0.7
397.08090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02969	0.5
53.03934	1.1
56.96559	1.7
57.03437	0.6
58.81843	0.5
59.70832	0.5
69.03424	1.6
70.06568	0.8
71.05005	0.6
72.08141	0.5
81.03426	0.9
84.04533	0.9
84.08148	1.2
85.02909	3.1
86.09709	1.0
87.04503	0.6
91.05492	3.1
93.07052	4.4
95.04955	0.6
97.02905	1.1
98.97580	1.2
101.00864	0.6
103.05469	3.0
119.01883	1.0
120.02013	0.5
121.06515	100.0
127.03910	2.8
128.04263	1.9
131.01927	0.6
138.09149	29.0
143.01927	1.2
152.14703	0.5
161.02940	1.1
171.14897	0.5
173.02994	0.7
183.04919	0.6
185.02908	0.9
189.02449	0.8
192.05566	0.8
203.04092	0.7
206.07043	1.0
219.01883	0.5
221.05046	0.8
224.08136	0.8
236.88638	0.5
245.05223	0.7
248.03320	0.7
248.08241	0.7
264.06497	0.6
275.02585	0.6
302.05487	0.9
376.23773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02111	0.6
53.00978	0.7
53.03944	1.7
55.01864	1.7
55.05517	1.3
56.05024	1.2
56.96566	1.7
57.03428	2.2
61.02934	3.6
67.05502	0.8
68.05006	0.8
69.03431	8.7
69.07054	2.4
70.06595	4.1
70.87461	0.7
71.05000	1.7
71.53146	0.9
72.08145	2.7
73.02898	2.5
79.05492	1.3
81.03411	3.9
81.07061	1.5
83.04963	1.4
83.51273	0.7
84.04511	6.1
84.08148	3.3
85.02907	27.9
86.09715	7.5
87.10062	1.2
88.04017	0.9
91.03944	1.3
91.05487	1.2
93.07047	0.9
94.18558	0.6
95.04968	0.9
96.04494	3.2
96.56663	0.6
97.02898	8.0
97.06575	0.7
98.97592	2.8
99.04455	1.8
102.05552	1.2
103.05441	0.7
104.07111	0.7
105.06997	1.1
107.08591	1.6
109.02858	2.9
109.06525	1.0
110.07161	1.5
110.93295	0.6
115.08578	0.7
119.08562	1.2
120.08117	1.6
121.10127	1.3
122.03673	0.8
123.54141	0.7
124.02178	1.0
124.03976	1.0
124.07629	0.7
127.03910	5.0
129.04648	0.8
129.05495	2.2
130.05022	1.4
131.08510	0.9
133.02864	1.3
135.08015	0.8
137.05981	100.0
145.02873	0.8
145.04979	5.5
147.07834	0.9
148.06050	2.6
149.09590	1.9
150.03754	1.2
151.03917	1.1
151.07527	2.0
163.05998	1.0
175.07600	0.8
177.05482	1.8
177.09090	0.8
178.05916	0.8
179.07056	39.4
180.08685	2.6
187.87207	0.7
193.04945	7.8
194.05284	0.9
195.06555	0.8
197.08156	7.2
197.33270	0.7
201.12366	1.5
204.13860	0.9
211.13341	2.6
213.11365	0.7
214.05373	1.3
214.11742	0.6
215.13947	0.7
219.01788	1.4
222.14922	1.2
229.12027	0.7
237.02724	0.9
239.70883	0.7
250.14417	9.1
253.03859	1.0
268.15540	3.9
271.05005	0.7
286.16434	1.8
292.06284	1.0
295.06415	1.2
330.78275	0.7
332.13849	1.6
332.17209	5.0
358.18604	1.9
376.12872	9.5
376.17053	0.8
377.08307	1.1
377.17819	1.5
397.08148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.3
54.45340	3.9
55.05510	15.8
57.01752	4.2
57.07092	5.6
61.37183	3.9
65.03928	5.1
67.05503	29.2
68.12330	4.1
69.07065	15.1
79.05494	43.4
81.07063	53.2
83.04993	7.9
83.08626	7.2
83.96435	3.8
85.32084	3.8
85.62507	4.1
90.73093	4.4
91.05487	60.4
93.07061	86.9
95.04986	41.7
95.08618	38.4
97.06527	8.5
103.05462	8.8
105.07034	100.0
105.48166	3.9
107.08606	47.5
109.06521	8.5
109.10162	27.5
115.05467	4.0
116.06310	4.1
117.07047	16.4
119.08584	87.5
121.06501	17.1
121.10144	75.9
123.20485	4.2
125.71239	4.1
128.06281	6.7
129.07004	15.1
130.07780	10.1
131.08568	47.2
133.10143	45.7
135.08080	6.8
135.11713	15.0
141.06993	7.8
142.07814	18.2
143.08574	30.0
144.09259	4.8
145.10135	67.2
147.08072	7.3
147.11713	21.8
155.08524	9.6
156.09424	7.1
157.10164	48.3
159.11684	34.5
161.09596	11.5
161.13264	4.8
167.08536	8.1
168.09416	5.5
169.10164	13.4
170.49478	4.4
171.11722	18.1
173.13307	16.4
175.11240	7.2
175.14827	11.6
178.22429	4.8
179.08641	4.9
180.09294	5.8
181.10118	7.6
183.11722	10.4
185.13257	7.4
187.11179	8.9
187.14854	19.1
195.11676	8.2
197.13245	9.2
199.14726	4.9
207.11813	9.5
209.13280	10.7
211.14833	5.5
223.14983	5.9
235.14886	5.6
237.16365	5.1
251.17896	5.7
253.15961	5.7
253.19830	6.3
266.20358	4.3
375.26736	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	375.2381
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03946	7.7
55.01869	8.4
55.05277	1.6
55.05515	19.1
56.67846	1.5
56.96570	1.7
57.03453	8.5
57.07066	6.6
59.04990	5.3
61.02930	10.2
67.05502	11.9
69.03434	38.0
69.07070	39.3
70.06567	5.8
71.04987	9.3
71.52718	2.0
72.08129	2.2
73.02904	6.9
79.05495	9.0
81.03432	17.6
81.07061	29.5
83.04988	9.5
83.08630	7.2
84.08113	2.1
85.02908	75.6
85.06089	2.1
85.06551	25.4
86.09692	4.4
87.04462	7.4
88.07628	10.4
89.07968	2.2
91.03938	4.0
91.05475	5.2
93.07040	15.9
94.06554	1.7
95.01302	1.6
95.04966	4.0
95.08607	39.5
97.02898	31.3
97.06522	4.6
97.10186	9.1
98.97578	3.0
99.04453	9.4
99.08105	24.6
102.74914	1.5
105.07033	5.0
107.08591	29.0
109.02892	13.7
109.06527	3.1
109.10162	20.3
111.04444	2.0
111.08077	2.7
111.11720	6.8
113.09641	9.8
115.03933	3.1
116.01682	2.2
116.26258	1.6
119.04948	1.8
119.08582	3.3
120.08122	1.7
121.02876	1.7
121.09335	3.0
121.10150	37.6
123.11717	9.5
125.09600	8.7
127.03933	24.0
127.11176	3.6
130.05016	1.6
131.04951	3.0
131.08574	3.0
133.06491	2.1
133.10141	2.9
135.11684	21.6
137.06003	3.6
137.09572	1.6
137.13254	21.0
139.11198	9.1
143.08537	2.5
145.04970	14.8
145.10135	3.3
147.04373	2.4
149.06009	2.5
149.13263	4.6
151.03941	3.3
151.14810	5.6
153.12758	13.2
161.05943	2.3
173.13322	2.5
175.07547	1.5
177.16393	100.0
179.06996	3.4
184.07349	2.6
191.07050	1.9
195.17453	47.7
196.17784	1.9
213.18513	68.4
227.08133	4.0
241.09735	2.3
255.07700	4.2
269.09290	2.3
274.74002	1.5
285.11188	1.6
287.05573	2.8
297.08572	1.5
301.14355	3.0
308.33765	1.7
315.09653	5.1
334.71921	1.6
339.27182	6.8
339.48557	1.9
357.28275	2.9
373.14059	3.4
375.11792	10.7
375.18024	6.5
375.23669	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	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01855	0.9
62.65652	0.3
68.99751	0.3
69.03426	2.2
69.60164	1.7
71.05011	0.3
73.02911	0.7
81.03423	2.7
85.02910	3.7
87.00826	1.1
97.02889	1.5
97.35337	0.3
99.04462	0.9
105.01862	0.8
109.02863	2.3
124.17329	0.3
127.03918	100.0
128.04254	0.3
137.00433	0.2
145.04953	1.5
159.02904	1.3
163.03937	0.5
175.00542	0.3
231.05078	0.7
245.18091	0.3
279.41495	0.4
375.12860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.03366	0.6
55.05500	0.9
56.80797	0.7
56.96571	1.6
57.03416	1.5
59.73877	0.7
60.04514	1.3
61.02914	1.9
69.03429	4.1
69.07047	0.7
70.03659	3.0
70.06592	3.5
70.98129	0.7
71.04973	0.8
72.08158	8.0
73.02942	0.8
79.05489	1.1
81.03391	2.4
81.07060	1.3
84.04500	2.2
84.08144	5.3
84.73148	0.7
85.02913	11.0
85.06567	0.7
85.14043	0.7
86.09709	11.5
87.04447	1.0
87.05589	1.0
91.05462	2.3
93.07018	1.8
96.04499	0.8
97.02893	4.2
97.06523	0.9
98.51582	0.7
98.97596	3.6
102.05508	0.9
102.56017	0.8
105.07016	1.5
107.08594	2.9
109.02881	1.6
109.10126	0.8
110.07161	0.8
110.97594	0.7
116.98614	1.9
117.03393	1.0
118.03683	1.3
119.08589	2.0
120.08080	1.3
121.10139	1.9
127.03925	4.9
127.07310	1.6
128.98564	0.9
129.10239	2.4
130.04964	2.0
131.04901	0.7
131.08565	1.2
133.02829	1.4
135.08061	1.3
137.05975	14.0
137.09596	0.8
143.01938	1.5
145.02866	2.8
145.04933	2.1
145.47597	0.6
146.03146	2.9
147.07703	2.7
147.11292	0.9
149.05954	0.7
149.09602	2.6
150.06311	0.9
151.03859	0.8
157.03497	0.7
158.99628	1.5
159.11304	3.2
161.02943	0.8
163.03961	1.2
165.09111	1.5
173.02827	1.0
173.12880	3.3
175.10750	1.7
177.05452	5.6
177.09061	3.9
178.05797	7.6
179.07059	5.9
185.04260	1.0
187.10747	1.6
189.12317	2.5
193.04979	6.1
195.06593	3.2
195.08095	0.7
195.10143	1.2
196.06833	3.7
197.08101	0.9
199.08189	1.8
201.12352	1.5
213.07323	3.1
213.11206	13.8
214.05411	0.8
219.01756	1.3
221.05104	0.8
237.02814	1.0
250.14374	2.2
269.03430	0.8
271.04343	1.0
289.12698	5.9
307.12335	2.1
331.13647	35.2
331.17636	1.1
332.13837	0.9
343.09500	0.9
351.83405	0.7
357.14896	0.9
375.12534	100.0
375.16241	7.2
376.13043	2.0
395.06439	1.3
397.07559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05214	0.2
51.13283	0.2
55.05486	0.4
56.05028	0.2
56.52879	0.2
57.07079	6.2
58.06595	1.5
60.84363	0.2
62.33509	0.2
65.95425	0.2
68.04977	0.3
69.07048	0.4
70.06594	14.3
71.08638	2.5
71.15536	0.4
72.08143	0.4
72.70241	0.2
84.08128	0.2
85.10163	0.9
88.07634	20.6
91.05436	0.2
100.64838	0.2
102.09181	13.2
107.77211	0.2
132.10219	0.8
137.05986	0.3
138.06310	0.5
140.79964	0.2
140.88806	0.2
146.11761	0.7
150.11224	0.9
218.38760	0.2
222.96242	0.2
254.13345	0.2
268.30048	0.6
277.13733	0.6
286.30865	0.3
312.32602	40.9
313.33044	0.9
346.27136	0.3
356.35239	2.9
359.54572	0.3
374.26541	4.6
374.36288	100.0
375.36713	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.7
55.01863	8.1
55.05514	33.5
59.05002	5.0
67.05181	6.0
67.05508	83.9
69.03426	4.6
69.07072	29.0
70.79820	12.9
71.04997	79.7
76.85136	4.1
79.05491	43.2
81.03399	4.2
81.07059	61.9
83.08619	16.2
85.06538	9.1
91.05499	29.8
93.07053	39.5
95.04974	8.0
95.08598	28.7
97.06518	16.0
97.10180	26.0
103.47771	4.0
105.07027	23.6
107.04946	4.4
107.08605	66.6
109.10159	77.1
111.08086	9.0
117.07021	8.8
118.62840	4.2
119.08578	22.2
121.10139	21.0
123.08091	4.9
125.09614	34.3
131.08559	12.7
133.10101	19.3
135.08026	11.9
135.11682	13.7
137.09624	6.4
144.46451	4.2
145.10114	10.5
147.11725	8.1
149.09642	9.9
149.13260	12.3
151.11128	4.7
153.09135	7.2
153.12753	8.8
155.10703	47.4
159.11693	23.4
173.11774	67.8
173.13235	7.2
177.12776	27.7
183.57823	3.9
187.13298	100.0
187.14963	4.8
203.12787	38.8
209.15337	8.0
234.43723	4.7
239.17941	7.2
241.17984	52.7
257.18973	8.7
275.20166	50.2
289.21722	22.0
304.16983	4.2
307.22678	9.5
321.24210	11.7
398.49646	4.0
398.73959	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01868	10.2
55.05509	43.5
57.03438	6.5
57.82713	2.9
59.04995	10.3
67.05506	100.0
69.03436	4.3
69.07076	47.6
69.38342	3.5
70.71565	6.5
71.05001	81.4
73.06549	4.2
74.61256	2.9
79.05492	62.7
81.03399	8.6
81.07056	61.6
83.04968	8.3
83.08617	22.9
85.06538	12.7
91.05481	32.7
93.07042	58.3
95.04971	8.6
95.08607	31.2
97.06528	35.5
97.10184	30.6
99.08113	4.8
105.07040	29.0
107.04988	3.8
107.08595	70.1
109.06515	10.7
109.10156	54.9
111.08093	12.1
115.07565	8.5
117.07007	12.8
119.08590	23.5
120.19605	3.2
121.10146	30.7
123.08074	6.2
123.11689	6.8
125.09634	33.3
129.06970	4.1
131.08594	20.8
133.10115	23.9
135.08049	11.6
135.11731	17.3
139.11093	3.5
145.10132	11.8
147.11687	8.1
149.09627	8.2
149.13298	6.7
150.91647	3.1
151.11128	5.2
153.09126	6.6
153.12747	6.9
155.10658	37.1
159.11703	22.3
161.09641	3.6
163.11218	5.8
173.11758	57.0
173.13200	5.5
177.12732	23.5
182.18781	3.8
187.13284	71.8
187.14777	5.8
203.12759	33.2
209.15369	13.3
239.17957	4.9
241.17934	39.2
249.18614	3.8
257.19000	10.2
265.25153	3.1
275.20035	40.2
281.20984	3.8
289.21652	21.2
307.22595	12.1
321.24347	7.2
333.19189	6.8
351.20062	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	374.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
53.61794	1.0
53.69244	0.9
54.60526	1.1
55.05503	4.2
56.96568	1.7
57.03429	3.4
57.07085	6.6
58.06599	1.8
59.04995	3.6
63.28526	1.1
67.05509	12.9
69.07079	9.0
69.71199	3.5
69.71602	2.4
70.06603	14.6
71.04987	2.6
71.08636	3.3
79.05499	9.5
81.07060	12.5
83.04971	4.1
83.08620	2.3
84.08157	2.1
85.02907	3.2
85.06559	2.1
86.09711	4.7
88.07644	17.6
91.05487	9.4
93.07050	9.6
95.04990	2.3
95.08628	5.6
96.08923	1.1
97.06533	4.0
97.10186	1.3
98.20766	2.0
102.09171	12.2
105.07021	3.9
107.04947	1.8
107.08605	4.4
109.06527	1.3
109.10164	3.1
112.78579	1.1
117.07001	1.8
119.08576	4.0
120.94392	1.1
121.10149	1.9
129.07001	1.6
131.08545	2.2
133.10173	2.5
135.08067	1.4
135.11703	2.2
137.06009	4.5
138.06339	3.2
147.11703	1.9
149.13266	2.3
150.11255	1.4
151.07562	1.8
151.11153	1.3
157.10199	1.2
159.11729	1.9
171.11635	1.2
195.13942	1.1
207.13832	1.5
297.71323	1.1
306.11829	1.2
312.32611	38.9
333.17377	3.4
351.18549	4.9
356.35583	1.6
374.26443	4.0
374.36313	100.0
375.21475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93026	2.6
53.03934	6.1
55.01860	9.5
55.05510	25.3
56.30381	2.8
57.03435	13.1
59.05016	18.1
63.55277	2.8
65.03933	6.5
67.05508	69.0
69.03426	10.1
69.06741	3.6
69.07077	52.8
71.01331	5.4
71.04661	3.9
71.04997	47.6
71.25723	3.3
71.26138	5.3
73.02906	4.3
79.05497	62.7
81.03426	18.9
81.06598	4.6
81.07059	77.8
83.04974	12.5
83.08595	10.4
84.02112	5.1
85.06542	11.7
91.05486	51.5
93.07045	57.5
95.04984	22.2
95.08622	29.9
97.02872	3.6
97.05916	4.3
97.06533	57.5
97.10160	12.8
99.08063	4.2
105.07043	32.0
107.04937	8.4
107.08596	34.3
109.06529	14.6
109.10151	17.3
111.08088	10.4
114.42419	2.8
115.07586	26.1
117.07006	18.1
119.08589	31.9
120.40237	2.7
121.06519	6.8
121.10146	22.5
123.08058	6.0
123.11727	4.5
125.09600	14.0
129.06990	5.9
131.01897	7.0
131.07065	4.5
131.08569	24.1
133.06461	3.1
133.10147	24.3
135.08069	9.6
135.11658	9.2
137.09589	9.8
138.06306	3.4
139.11147	4.4
143.08582	6.2
145.10107	9.9
147.11685	11.8
148.12480	3.7
149.09660	5.2
149.13184	3.1
151.11136	7.5
155.10654	6.0
156.02629	4.2
157.10159	6.2
159.11708	8.6
163.11165	4.3
165.12766	6.3
168.79530	2.8
169.03430	6.8
171.11771	4.2
173.11754	7.2
173.13193	5.0
175.11145	3.5
175.14632	3.0
177.12692	5.6
182.04286	2.8
185.13275	4.9
187.13205	6.2
194.04286	2.7
194.13045	11.3
195.05042	5.3
195.13811	8.2
199.08138	2.9
199.14809	10.3
200.98277	2.6
201.09743	4.0
201.14734	3.9
203.12761	3.9
205.12209	4.2
206.07864	3.1
209.06627	3.2
213.09760	5.6
215.13953	2.9
217.15913	11.9
219.17513	6.0
223.08188	11.7
224.08861	10.2
227.16451	5.2
235.17046	4.2
237.14803	4.5
241.09207	32.7
242.09967	18.0
243.10788	8.4
249.18553	16.1
259.10403	3.4
260.11023	5.7
264.10782	2.6
275.19992	19.7
281.21063	17.0
289.21671	7.0
307.22614	5.1
315.17960	10.4
333.19171	38.1
351.20172	100.0
366.51700	3.2
374.21680	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	374.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67149	7.3
55.01876	12.6
55.05514	61.0
56.39887	7.1
56.96567	11.0
57.03434	10.9
59.04993	18.5
67.05516	92.0
68.79126	8.2
68.88249	7.0
69.03421	14.5
69.07070	72.5
70.48573	26.9
71.04999	71.4
72.08505	8.0
73.02942	9.2
77.00905	14.1
79.05496	68.3
81.03416	20.7
81.07053	62.4
83.04981	19.9
83.08619	36.4
83.53274	7.9
91.05493	59.5
93.07050	56.9
95.05001	21.9
95.08624	43.6
97.06559	42.6
97.10176	23.8
99.08159	8.0
101.06000	15.2
101.97638	9.2
104.78582	8.3
105.07031	28.1
107.08626	53.5
109.06499	20.0
109.10148	55.2
113.05938	9.2
115.07549	15.9
119.08586	28.9
121.10159	27.2
123.08067	14.5
125.09638	25.1
129.07048	9.3
131.08559	12.1
133.10124	18.6
135.08057	15.6
135.11656	10.5
137.05984	40.8
137.09662	39.7
138.06340	18.6
139.11232	10.4
145.10138	16.4
147.11754	10.1
149.09612	15.3
153.12811	19.6
155.10641	11.5
163.11205	13.3
171.11697	11.4
173.11749	40.6
187.08189	12.9
193.12271	21.0
199.08173	10.2
201.09668	18.9
201.14851	22.7
203.12846	11.4
213.09706	10.3
215.11143	10.5
219.10852	10.3
222.97415	8.0
223.11729	8.8
239.11287	17.9
251.11301	43.0
253.12848	22.3
257.12375	26.8
257.18890	8.3
267.10913	23.0
269.12357	88.3
275.20206	22.2
289.18124	9.5
289.21750	9.2
315.18057	29.4
333.19095	72.3
351.20258	100.0
356.20560	12.5
374.22098	12.1
374.36871	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	374.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47792	3.7
53.03935	10.9
55.01860	10.7
55.05513	37.7
57.03186	3.3
57.03437	24.3
59.04993	15.4
61.07526	3.4
65.03951	4.8
67.05502	84.9
69.03420	11.1
69.07072	84.7
69.52702	27.7
70.04269	3.7
71.01340	10.0
71.04993	66.0
72.95627	3.3
73.02921	8.9
73.06535	4.1
73.44740	3.2
79.05495	88.1
80.06242	4.8
81.03423	25.3
81.07058	100.0
83.04974	14.7
83.08614	14.9
84.02113	4.3
85.06535	8.8
91.04919	5.0
91.05482	78.1
93.07046	76.3
95.04969	32.6
95.08602	40.5
97.02892	4.9
97.05929	5.3
97.06536	90.8
97.10162	8.3
99.08090	6.4
105.04560	3.8
105.07044	36.9
107.04949	8.4
107.08603	42.7
109.06530	19.8
109.10164	20.8
111.08054	12.8
113.00877	3.3
113.09622	5.4
115.07577	38.2
117.07011	22.3
119.08604	35.6
121.06506	7.5
121.10159	36.7
123.08098	9.8
125.09611	11.5
129.07010	9.0
131.01944	4.3
131.07057	7.0
131.08568	26.0
133.06563	4.0
133.10143	38.1
134.10887	3.7
135.08047	11.2
135.11710	9.0
137.05946	4.2
137.09599	8.5
143.08574	6.5
145.06540	4.4
145.10123	15.9
147.08089	4.1
147.11684	16.4
149.09627	7.0
149.13295	6.4
151.11154	10.7
156.02731	4.0
157.10127	13.4
159.11665	10.1
161.09596	4.2
163.11121	6.3
173.11824	7.7
173.13264	6.0
175.14809	3.5
177.12683	4.7
185.13318	6.8
187.13281	8.1
194.12993	10.6
195.05049	6.3
195.13795	15.7
195.15408	4.4
199.14839	9.6
201.14748	6.0
203.12737	4.3
203.14392	4.6
217.15927	11.3
219.17429	5.5
223.08195	11.2
224.08983	8.0
227.16454	6.2
241.09213	33.2
242.10075	17.7
243.10760	7.1
249.18518	11.1
259.10324	5.2
260.11063	6.8
275.20087	19.0
281.21082	14.0
289.21570	8.8
315.18088	12.9
333.19135	38.3
351.20145	93.8
369.21381	4.5
374.21631	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03431	0.9
61.02919	1.6
69.03446	3.9
70.69108	1.5
70.79611	0.6
73.02906	0.9
81.03406	1.7
84.08128	0.7
85.02916	15.6
89.03925	5.0
89.56560	0.6
91.03975	1.3
91.05476	0.6
97.02926	3.8
98.97572	0.7
99.04461	1.0
109.02903	1.0
117.03386	14.2
127.03912	2.0
134.03635	1.9
135.04445	1.2
137.05916	0.8
145.02861	40.8
145.04958	3.8
149.05980	7.0
153.05478	0.8
162.03136	0.6
163.03894	1.9
176.62820	0.5
177.05487	100.0
178.05838	0.8
180.08656	2.0
195.06546	53.1
305.86301	0.6
313.49838	0.6
374.13849	0.6
374.18872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60026	0.2
50.82892	0.2
60.42545	0.2
69.42379	1.6
82.25182	0.2
86.09676	0.9
91.05495	0.2
98.21532	0.2
98.98481	2.4
101.92384	0.2
118.06546	4.1
120.08139	0.2
125.00016	9.4
132.08067	1.1
133.08813	0.7
144.08086	7.2
146.09676	1.2
158.09641	3.0
159.10452	1.1
160.11221	0.4
162.09158	2.4
172.11209	2.1
176.10880	1.5
176.14357	16.3
177.11420	0.6
177.14729	0.4
190.12257	1.3
202.15918	44.4
203.16217	0.4
220.16971	100.0
221.17297	1.2
300.13583	7.8
356.16208	0.4
374.17328	22.2
375.17578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	20.3
67.05489	1.0
69.16566	4.1
69.16988	3.9
71.95261	3.6
72.53684	0.8
74.89790	1.1
79.05463	0.9
84.96027	2.6
97.53213	0.9
97.96803	2.1
98.97579	1.7
110.97564	13.0
122.67780	0.8
128.98605	9.3
137.02757	1.0
137.06007	1.9
143.00134	1.5
146.99661	4.7
154.77585	0.9
156.09360	1.0
161.01204	1.5
169.05394	0.8
171.03284	1.6
179.36507	1.0
182.58287	0.9
185.04752	1.1
189.04323	1.4
204.06595	1.0
227.09564	0.9
241.11084	1.7
263.09467	3.6
265.11044	1.9
277.11011	1.3
303.12772	1.6
313.14783	1.4
315.16302	52.3
316.16840	1.5
331.15735	3.1
333.17374	100.0
334.17740	2.2
351.18460	19.7
356.18991	14.3
374.20084	3.0
374.26620	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01865	1.6
57.03439	3.0
61.02936	0.9
65.03939	3.0
67.05511	2.0
69.03432	22.2
69.07067	1.8
69.79989	2.4
69.80403	2.2
69.96315	0.9
70.06593	3.6
71.05003	4.4
72.08157	1.2
79.05528	1.1
81.03420	12.5
81.07074	0.8
82.76408	0.9
83.01289	1.2
83.04990	1.0
84.04494	4.3
84.08125	1.9
85.02909	21.9
86.09711	24.2
87.00837	13.2
87.04475	1.8
88.83186	0.8
91.05487	100.0
93.62928	0.8
95.04986	1.1
97.02895	33.6
98.21613	0.8
98.97591	3.1
99.04462	9.3
101.02395	0.9
102.05569	1.3
105.01863	11.6
109.02877	4.2
119.05008	1.0
123.04422	1.5
124.07610	4.9
127.02975	1.9
127.03922	38.0
129.06633	1.8
132.10188	4.8
137.05980	5.0
138.09117	1.6
143.03400	1.6
145.04973	26.9
147.04419	1.8
148.06020	1.0
164.63385	0.8
166.12318	1.8
171.02936	1.4
177.05637	1.0
187.94888	0.9
188.09094	1.3
197.12877	3.0
199.18109	3.3
212.12863	7.0
213.03918	1.2
215.13928	5.6
219.01846	0.9
225.12366	1.0
231.05026	25.8
249.06119	9.5
306.09283	2.1
309.11621	0.9
330.17230	1.5
374.19067	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.3
55.01867	3.8
57.03434	2.1
59.77511	0.7
61.02925	2.9
63.02347	0.6
65.03931	2.0
65.97175	0.7
68.99792	1.2
69.03088	0.9
69.03437	14.0
70.70235	1.9
71.04992	2.3
73.02913	3.4
73.65217	0.6
81.03423	9.7
83.01324	0.6
85.02909	46.6
86.09720	2.3
87.00839	19.2
91.05486	100.0
92.05820	0.7
97.02902	16.0
99.04471	6.7
103.03933	1.3
105.01869	33.1
105.07043	1.6
108.04486	2.1
108.53407	0.7
109.02889	12.4
115.03948	1.2
117.01880	1.2
121.08847	0.7
126.05538	1.2
127.03925	36.4
128.75887	0.7
129.01872	1.3
129.06960	1.0
133.06497	1.7
143.08527	0.8
145.04962	21.2
145.06607	0.9
147.02888	1.6
157.06512	1.1
159.02890	7.9
166.32761	0.6
171.02829	0.7
171.08107	1.6
175.07607	2.3
176.48090	0.7
181.06502	1.1
189.03923	4.1
195.06590	1.8
199.07520	1.9
213.04030	1.9
215.14021	1.1
217.08678	2.4
225.05815	0.7
226.55437	0.7
229.34880	0.6
230.06735	0.9
231.04974	12.9
235.09561	0.8
248.07796	1.9
249.06084	4.0
303.08575	0.9
306.07004	0.6
309.33777	0.8
321.09793	1.8
339.10986	1.0
340.47263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24091	4.4
55.05515	45.3
57.03425	5.0
67.05504	24.9
68.94340	4.4
69.03433	12.7
69.07065	29.3
71.05013	9.2
71.54346	6.1
79.05492	12.2
81.07058	66.1
83.04971	35.0
83.08614	21.7
85.06553	7.6
91.05502	26.5
93.07051	48.3
95.08618	70.3
97.06525	11.5
97.10181	15.8
99.08091	8.5
105.07047	44.3
107.08584	59.5
109.10172	50.1
111.04440	14.2
116.38930	5.6
117.07064	8.0
119.08598	46.2
119.67445	6.2
121.10144	56.8
123.11689	25.1
123.34177	4.9
125.09666	6.2
127.03948	9.4
129.07008	5.8
129.09135	8.9
131.08551	20.2
133.10136	21.8
135.11728	19.2
137.05984	100.0
143.08557	12.8
145.10150	34.3
146.07297	4.9
147.11711	35.1
149.13249	15.2
151.07480	7.9
151.11217	8.3
157.10130	13.6
159.11696	40.7
161.13261	23.6
163.14842	14.6
165.12752	6.3
169.12267	7.4
173.13261	15.1
175.14734	8.6
185.13271	5.7
187.14828	8.3
189.16396	7.4
190.77325	5.4
201.16414	29.5
203.17955	16.5
213.16295	7.5
215.17964	50.7
217.19510	51.6
219.13678	6.4
219.59517	5.4
227.17886	4.5
242.10837	4.5
250.17029	4.6
262.15234	9.8
269.22672	16.8
273.18561	7.0
283.24039	7.2
294.95764	5.6
337.28769	8.0
355.30032	50.9
373.23468	43.3
373.31049	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30377	3.1
52.36081	3.4
55.01903	4.1
55.05513	25.0
57.03433	9.8
57.07083	21.9
67.05502	36.9
69.03441	8.4
69.07077	26.6
69.31149	34.0
71.04949	3.8
71.08627	19.4
79.05500	26.3
81.03441	5.3
81.07057	100.0
83.04996	20.2
83.08615	15.4
85.02895	6.6
85.06544	4.7
91.05476	15.0
93.07053	40.7
95.04942	4.1
95.08609	62.0
97.02896	4.6
97.06526	9.6
97.10144	14.1
105.07053	29.4
107.08591	50.9
109.06522	9.2
109.10165	55.1
111.04458	7.6
119.08587	32.2
121.06503	5.6
121.10153	57.8
122.03646	7.8
123.08020	5.6
123.11725	21.6
125.09646	6.6
127.03922	4.2
131.08577	10.3
133.10162	23.2
135.11707	25.7
137.05968	82.2
139.11183	7.1
141.12740	10.5
143.08609	3.9
145.10100	10.7
147.11694	14.5
149.13277	36.1
151.07523	8.0
151.11215	7.5
157.10185	4.8
159.11687	16.3
161.13260	15.8
163.14853	28.4
165.12721	8.2
171.11636	6.9
173.11853	7.1
173.13266	8.8
175.14848	11.4
177.09174	5.8
177.16318	5.3
181.12172	8.7
185.13223	6.3
187.14777	9.4
189.16359	11.0
191.18071	4.6
193.15913	8.0
199.14714	4.1
201.16386	8.5
213.16344	6.5
215.17853	6.7
217.19537	16.2
227.17900	8.6
245.22849	3.9
257.22681	11.2
271.77222	3.7
283.24216	4.9
299.25824	6.4
299.55438	4.2
301.25394	5.8
305.11838	7.9
315.92401	4.0
337.28830	8.0
355.28635	32.0
373.18515	13.3
373.31036	44.3
374.36700	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	373.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01040	0.9
55.01877	1.3
55.05513	8.7
56.96563	1.8
57.03438	3.2
57.07077	1.8
59.05001	2.1
61.02927	1.2
62.76988	0.9
65.03939	1.7
67.05511	17.5
69.03436	8.1
69.07079	14.6
69.57941	4.5
69.58348	1.6
70.06599	2.2
71.04991	5.2
71.38313	1.2
73.02912	2.0
79.05505	3.1
81.03414	4.2
81.07064	20.7
83.04981	10.1
83.08625	6.5
84.08121	1.4
85.02914	11.9
85.06555	2.8
86.09711	10.2
87.05609	1.0
88.07640	1.8
91.05483	4.0
93.07047	11.5
95.04985	2.4
95.07992	1.6
95.08614	31.8
95.99329	1.0
97.02904	4.4
97.06541	3.9
97.10152	1.8
98.20735	1.1
98.97607	2.4
99.08089	4.4
101.93290	1.1
104.07108	1.1
105.07030	7.4
107.04964	1.3
107.08600	23.5
109.02855	1.8
109.06511	8.6
109.10164	95.4
111.04444	1.3
111.08104	4.1
113.09663	1.5
119.08588	39.1
121.06558	1.2
121.10152	13.2
122.03674	1.5
123.08089	12.5
123.11714	8.5
125.06013	2.8
127.03912	3.9
127.11182	1.1
133.10146	23.1
135.11702	100.0
137.05988	14.5
137.09621	14.6
138.09100	1.4
139.11180	1.6
145.04997	2.1
145.48856	1.0
147.11748	1.5
149.05952	1.4
149.13251	6.8
151.07536	1.8
151.11192	8.9
151.14856	9.1
153.12779	2.7
156.09383	1.0
165.16406	3.3
167.07111	2.5
175.13312	2.0
175.14838	39.2
176.68745	0.9
183.11378	1.5
193.15894	65.8
200.13902	5.5
201.05447	1.1
211.16948	66.5
225.08145	2.3
228.13454	3.5
239.08174	1.4
287.05573	3.4
305.11728	2.0
337.25812	1.3
345.10767	1.6
355.15469	1.5
373.10095	9.9
373.13968	1.9
373.18051	4.1
373.23300	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75658	0.4
55.01861	0.4
55.05510	0.8
56.00730	0.3
56.96577	0.4
57.03433	0.9
67.05509	2.1
69.03421	1.4
69.07061	1.3
70.06588	3.9
71.52368	0.6
72.08157	1.8
73.02941	0.4
79.05475	0.7
81.03410	1.3
81.07041	1.2
81.87937	0.3
83.04990	1.0
83.06108	3.4
84.04511	4.4
84.08136	0.9
84.35034	0.3
84.96061	0.5
85.02914	1.3
86.09709	19.0
91.05473	1.5
93.07048	1.0
95.04977	0.6
95.08607	0.9
97.02899	0.9
97.06522	0.5
98.97580	1.4
101.07138	0.7
105.07032	0.9
107.08597	1.4
109.02868	0.8
109.06552	0.4
109.10143	1.1
110.97556	0.5
111.04480	0.5
111.08090	0.7
116.98631	0.4
117.03344	0.5
117.07072	0.3
119.08572	0.9
121.10151	0.8
123.04482	0.5
125.05959	0.4
127.03921	0.8
128.98651	0.4
129.06592	1.2
130.06459	0.4
131.11819	0.5
132.10211	4.9
135.08058	0.4
135.11606	0.5
137.05984	7.3
137.09665	0.5
139.11192	0.6
143.11807	0.8
143.23425	0.3
145.02882	1.0
145.06537	0.3
151.07579	1.0
152.10721	1.0
157.13388	1.0
158.99626	0.6
159.09247	0.5
163.11212	0.6
167.75858	0.4
171.11261	0.6
173.11720	0.8
177.05487	1.1
177.09146	0.4
181.12248	1.1
185.12895	0.9
189.12373	1.4
193.12306	0.4
196.14415	3.6
197.12906	2.7
201.05475	1.4
203.13927	0.5
211.13129	1.2
214.15550	1.3
215.14169	0.5
219.01636	0.6
220.12996	0.3
224.13937	1.0
225.12338	0.7
229.14354	0.5
237.02794	0.5
242.14946	2.5
260.16324	0.4
287.08231	0.5
305.08939	2.1
355.17471	1.1
355.23343	2.5
373.18350	100.0
374.18637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05517	9.3
56.96577	2.8
57.03424	2.3
57.07082	3.2
59.04989	2.3
61.02913	2.6
63.06618	1.8
67.05511	13.4
69.03423	6.9
69.07069	14.6
70.76888	5.5
71.04998	9.2
72.88889	2.2
77.20154	1.8
79.05491	4.0
81.03381	2.8
81.07065	16.4
83.04982	8.8
83.08620	7.3
85.02912	14.5
86.09715	5.7
91.05498	4.0
92.30086	1.9
93.07054	8.5
94.21777	1.8
95.04981	2.0
95.08617	31.6
95.60299	1.7
97.02895	4.1
97.10160	1.8
97.49755	1.9
99.08084	3.0
105.07029	5.4
107.04987	3.5
107.08591	22.6
109.06503	7.9
109.10167	100.0
115.73566	1.7
119.08592	35.7
121.10160	13.8
123.08067	12.8
123.11730	6.3
125.09601	2.2
125.91780	1.8
127.03877	2.0
133.10144	21.9
135.11707	96.3
137.05983	11.6
137.09608	16.5
147.11699	2.0
149.13263	5.6
151.11195	6.4
151.14842	7.4
165.16374	3.4
167.07031	2.2
175.14850	41.6
180.06584	4.1
181.06853	4.4
193.15881	64.2
211.16943	61.0
291.05255	3.0
300.05743	8.0
308.24292	1.8
350.48608	2.3
373.08832	3.5
373.14005	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	373.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01873	4.1
55.05508	4.8
56.96556	11.1
57.03422	8.4
67.05496	6.3
69.03436	3.2
69.07066	3.8
69.26866	6.0
69.27266	18.6
71.05000	24.8
73.02915	3.0
79.05484	7.4
81.03404	3.9
81.07053	6.0
83.05001	5.8
84.08147	3.0
85.02905	32.2
85.06534	2.8
86.09715	8.4
91.05463	6.4
93.07043	3.9
95.04950	6.5
95.08611	8.7
97.02882	15.7
97.06531	8.5
98.97580	7.9
99.04440	4.3
105.07026	4.5
107.08615	6.5
109.06475	3.1
109.10142	5.6
110.97568	3.0
112.48893	2.6
116.98656	3.5
121.06495	3.8
121.10167	3.2
122.03659	3.7
127.03932	4.7
129.05501	4.2
129.06996	3.1
131.00131	3.0
137.05988	53.6
137.09608	3.8
149.06038	4.4
151.07510	4.3
153.01831	9.0
155.75542	2.7
177.09074	3.6
177.12743	3.0
187.89120	3.0
197.51439	6.3
201.05537	4.7
211.16978	9.8
237.04263	4.1
251.52608	4.7
291.05319	9.4
292.05966	7.1
292.56125	4.3
300.05731	18.8
305.11816	5.8
309.06207	12.2
311.12775	3.5
313.11795	4.3
320.57120	4.3
324.55569	5.1
337.14343	3.2
355.15488	8.5
361.02289	3.8
373.09390	26.2
373.16248	100.0
373.58868	4.7
377.02039	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	373.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.96564	0.5
57.03444	0.7
63.56207	0.4
67.05528	2.4
69.03437	3.2
69.07069	1.6
69.11914	0.4
69.79140	1.2
69.79529	1.1
70.06598	2.8
71.05009	0.8
72.08141	0.8
75.34180	0.5
78.28590	0.4
79.05494	1.3
81.03407	1.3
81.07055	1.2
83.04989	1.9
83.06114	2.4
83.08614	0.8
84.04513	3.8
84.08137	1.9
85.02913	2.2
85.06557	0.8
86.09714	11.3
91.05492	1.3
93.07048	1.4
95.04996	0.8
95.08650	0.7
97.02894	1.3
97.06548	0.7
98.21536	0.7
98.97598	3.5
99.04456	0.5
99.05572	1.4
100.07619	0.9
100.11246	1.5
101.07169	0.6
101.11591	0.5
105.07014	1.2
107.08575	1.0
108.04485	1.0
109.06503	0.7
109.10158	1.1
110.97534	0.6
111.04449	1.3
115.03940	0.7
116.07108	1.8
116.26201	0.5
116.98624	1.0
119.08584	0.8
120.08076	0.8
121.06538	1.0
121.10148	0.7
123.08102	0.6
125.09632	0.5
127.03909	0.8
128.07054	0.7
129.06613	1.7
132.08112	1.4
132.10223	3.7
133.10139	0.9
133.66859	0.6
135.02805	0.5
137.05991	9.9
140.07045	0.6
143.00227	0.7
146.06044	1.1
147.04434	1.3
147.11699	2.1
149.02361	1.4
149.09589	0.7
149.40376	0.4
151.03937	0.6
151.07591	1.0
157.07654	0.6
158.99651	1.1
159.09239	1.2
168.06635	1.1
168.33083	0.4
170.05946	0.5
173.04761	0.6
174.05577	0.8
177.00665	0.5
177.05571	0.6
177.09235	0.5
179.03404	21.2
181.12251	0.7
182.15396	1.2
183.15781	2.3
185.57594	0.5
187.08714	1.8
189.12567	0.9
191.05948	0.5
193.12274	1.0
196.14549	2.3
197.12929	2.3
201.05450	2.4
204.06619	1.1
206.08189	0.8
210.14960	0.8
211.13257	1.0
211.15257	3.0
214.15556	2.0
217.07141	0.5
219.01839	0.8
219.06532	0.5
225.12453	0.6
228.16144	0.6
229.16351	0.5
230.12889	1.0
242.15048	1.2
245.18770	0.6
258.12427	1.7
279.09946	1.0
288.10660	0.5
291.03900	1.3
299.10239	1.0
305.11609	0.5
307.09732	0.6
325.10712	1.1
329.15726	19.9
331.12961	1.3
338.21600	2.2
355.23392	2.7
356.22623	1.4
373.18372	100.0
374.18732	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50208	0.6
56.96565	1.1
58.67261	0.5
61.76827	0.5
67.05496	1.3
68.52557	0.4
69.03429	0.7
69.07058	0.8
69.23909	3.9
70.06559	0.7
79.05482	1.2
81.03413	0.8
83.04964	0.9
85.02894	0.7
91.05465	0.6
95.04955	1.7
95.08596	0.7
97.02856	0.5
97.06531	2.3
98.97578	0.8
100.40562	0.5
101.00875	1.1
105.07008	0.8
109.10162	1.1
119.01883	0.9
121.06493	1.0
121.10120	0.7
137.05992	9.3
151.07506	0.5
157.06607	0.7
168.16057	0.6
173.02916	0.7
173.05972	0.6
177.60043	0.5
201.05502	0.7
241.12247	1.3
269.13672	1.2
283.13269	0.6
284.53369	0.7
287.14584	1.9
305.14655	0.5
311.12756	0.9
317.76886	0.5
329.15775	13.8
337.14478	0.8
355.15195	2.8
373.14618	100.0
373.18350	6.6
374.15018	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92224	2.4
55.01867	5.0
55.05509	14.2
57.07077	6.5
59.05003	2.9
67.05507	50.2
67.08189	3.0
69.03433	8.1
69.07068	9.1
69.97383	12.2
71.04993	28.0
71.08611	4.1
73.06548	9.7
77.42605	2.8
79.05496	13.6
81.07059	32.6
83.04990	9.8
83.08603	8.7
85.06535	10.6
87.04467	100.0
88.07635	6.0
88.80835	3.1
91.05484	40.9
93.07052	31.1
95.04974	10.4
95.08612	50.7
98.21497	5.2
105.07050	19.7
107.08585	15.0
109.06516	4.2
109.10156	47.1
111.04467	4.6
111.08104	8.2
117.07034	4.4
119.08576	36.4
121.06479	3.8
121.10166	3.8
123.08049	7.0
123.11695	3.8
130.08623	4.0
131.08600	4.1
132.14430	2.7
133.10129	53.1
135.08073	4.4
135.11734	5.5
137.05986	3.7
137.09625	68.5
139.07562	3.4
143.08553	6.4
147.11708	3.4
151.11212	22.1
155.10712	3.9
159.11639	3.7
161.09605	17.1
169.12231	28.8
173.11778	3.9
179.10695	31.8
183.13786	3.6
187.13271	7.6
189.12785	2.8
197.11681	3.3
201.14853	38.4
211.13293	9.2
255.17348	3.4
268.44647	2.8
273.18506	6.0
291.19507	18.5
305.21024	9.3
312.28943	8.4
323.22281	9.0
372.31039	62.5
372.35184	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	372.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
55.05499	6.0
57.07086	7.6
67.05512	19.5
68.05836	1.4
69.03429	3.9
69.07048	5.4
69.65627	3.6
69.66038	3.6
70.06595	2.7
71.05001	9.8
71.08623	3.8
73.06158	1.3
73.06548	4.4
75.87498	1.4
78.53658	1.2
79.05509	6.8
81.07063	13.9
83.04992	2.5
83.08619	4.4
85.06531	2.7
85.10167	1.9
87.04476	100.0
88.07634	3.8
89.01971	1.4
91.05487	17.9
93.07046	12.3
95.04977	3.9
95.08620	18.7
97.06561	2.5
98.20897	1.7
103.42480	1.5
105.07013	7.8
107.08591	6.0
109.06516	2.7
109.10162	19.9
111.04462	1.7
111.08111	3.3
117.07010	2.2
119.08597	13.4
121.06505	1.5
121.10150	2.4
122.33128	1.3
123.08100	2.3
125.09672	1.6
130.08649	4.7
131.08556	2.0
133.10139	18.8
135.08078	3.0
135.11722	2.8
137.05977	5.2
137.09627	22.4
139.07538	2.1
143.08571	2.8
149.09550	1.5
151.11235	8.2
161.09628	7.2
164.18668	1.5
169.10310	1.4
169.12251	9.0
179.10669	11.1
183.13869	1.9
187.13316	2.3
193.12302	1.9
193.91090	1.6
201.14839	14.2
211.13326	4.1
273.18564	3.0
291.19629	6.1
305.21054	2.8
312.29007	12.1
323.22266	5.0
372.31107	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.7
55.05523	24.0
56.96558	20.0
57.07071	5.0
58.12218	4.8
67.05505	49.6
68.94055	4.6
69.03439	6.9
69.06728	7.8
69.07071	91.5
70.06573	5.7
71.05000	29.9
71.53872	7.7
74.21988	5.1
79.05492	45.5
80.43596	5.6
81.03416	6.9
81.07061	47.6
82.57591	4.8
83.04971	5.1
83.08617	16.4
84.96028	4.9
85.06521	5.9
87.04472	7.8
91.05487	25.7
93.07050	41.0
94.07378	8.6
95.04967	17.1
95.08591	29.8
97.06518	20.7
97.10148	9.4
98.97572	6.5
99.08094	34.7
104.12634	5.1
105.07028	22.2
106.07336	6.2
107.04942	6.1
107.08595	37.5
109.06499	13.9
109.10146	15.9
111.08076	11.1
117.06999	14.4
119.08598	37.1
119.51265	5.7
120.08881	8.1
121.06431	8.4
121.10181	28.4
123.08068	5.9
123.11727	8.7
125.09597	12.5
129.06898	6.1
131.08537	19.0
133.10144	30.6
135.08032	8.3
135.11674	14.3
137.05980	18.5
139.07561	18.2
143.08604	7.9
145.10127	24.8
146.10432	8.7
147.08063	12.8
147.11632	10.9
149.09621	9.3
149.13234	8.7
151.07491	10.4
153.09125	5.4
157.10162	9.8
158.10542	8.6
159.11655	14.6
161.09634	11.2
163.11166	14.8
170.10710	5.1
171.11688	5.4
172.95284	5.9
175.11121	7.0
177.12802	7.0
185.13263	4.8
188.15160	7.3
193.12381	5.5
203.12833	6.9
224.08032	9.0
227.17950	6.6
245.19101	12.5
255.17514	6.7
273.18530	44.6
277.21603	6.7
287.16736	5.9
287.19904	8.3
305.17581	6.5
305.21127	100.0
331.15839	19.3
337.23743	10.4
349.16800	61.2
372.18423	14.7
372.34988	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	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44754	13.3
55.05517	30.6
56.96558	27.1
67.05508	36.5
67.09184	11.4
69.03433	24.8
69.07067	31.7
71.04952	22.5
71.53596	21.4
79.05481	32.0
81.03412	17.3
81.07056	45.8
83.04987	15.0
91.05488	22.7
92.82777	11.7
93.07060	31.7
95.04961	21.2
95.08606	16.8
97.06548	100.0
102.53873	13.8
105.07041	26.7
107.08611	19.3
109.10150	22.1
119.08540	16.9
123.08090	14.3
129.06973	12.9
137.05995	67.3
137.09691	12.8
160.03899	11.9
173.13385	13.9
190.95280	15.4
219.28755	14.9
234.26003	12.6
281.10538	12.7
323.13168	13.5
349.16815	40.2
372.27225	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	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01878	5.9
55.05507	20.7
55.27417	3.3
57.03434	6.6
57.07083	4.1
67.05180	6.7
67.05508	64.0
69.03424	14.5
69.07059	13.8
70.88732	8.2
71.04998	45.2
73.06548	15.3
79.05503	23.2
81.07070	49.4
83.04979	10.5
83.08614	11.5
83.62373	4.5
85.06540	7.4
87.04478	49.9
91.05483	57.6
93.07049	53.8
95.04985	17.2
95.08612	64.1
97.06551	6.1
101.65292	3.4
102.85089	3.2
103.05518	3.8
105.07042	37.0
107.08619	19.3
109.06541	8.8
109.10167	65.6
111.04393	4.6
111.08093	14.1
112.81757	3.6
117.06997	12.9
119.08595	52.9
121.06490	5.3
123.08020	4.1
123.11733	7.2
124.40693	3.4
130.08549	3.4
131.08545	12.5
133.06609	3.4
133.10135	86.7
133.19896	3.6
135.08011	4.7
135.11682	6.4
137.05995	10.2
137.09627	100.0
139.07500	5.6
143.08536	9.3
145.10120	5.2
147.11700	9.4
151.11200	31.5
155.10698	8.8
161.09612	28.9
167.52446	3.5
169.12265	39.0
173.13280	3.7
175.11171	4.7
177.09148	3.7
179.10677	61.1
183.13782	9.4
183.94940	3.6
187.13295	8.9
189.12880	4.6
193.12210	9.3
201.13039	3.9
201.14890	63.4
211.13342	16.7
225.14943	4.0
250.77684	3.4
255.91449	3.2
272.21786	3.5
273.18527	10.8
291.19568	19.7
305.21088	12.1
323.22186	13.6
372.31113	22.3
372.34964	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	372.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	17.1
55.01866	20.1
55.05511	73.0
56.96561	39.7
57.03428	38.0
67.05510	98.6
69.03426	46.1
69.07056	23.9
71.05000	16.6
71.53675	19.6
79.05495	84.7
81.03413	35.9
81.07043	87.9
81.98363	10.3
83.04981	47.9
83.08611	26.9
85.02913	30.0
85.06490	15.2
86.09747	13.1
91.05481	63.3
93.07042	73.1
95.04973	60.7
95.08598	48.3
97.02883	46.7
97.06548	26.3
97.10169	35.0
99.04453	26.7
105.07042	44.1
107.04946	33.1
107.08595	57.9
109.06532	41.1
109.10139	20.7
111.04453	25.4
111.08111	23.0
117.07056	22.9
119.08553	35.1
121.06530	19.4
121.10136	64.8
123.04457	12.0
125.09641	36.2
131.08598	26.1
133.06523	16.5
133.10132	17.5
135.08038	34.8
137.05995	47.0
137.09604	12.3
143.07053	12.5
143.08574	12.3
145.10141	21.0
149.06007	13.0
149.09644	32.4
151.07539	11.5
157.56793	12.8
159.08034	12.9
159.11685	19.3
173.09627	12.2
177.09114	19.4
180.23906	10.8
187.11336	14.8
205.12299	17.5
216.09221	19.1
232.34053	11.9
234.30811	10.6
247.13307	12.5
251.67015	11.8
277.17944	34.1
319.19427	13.5
331.15591	66.3
349.16861	100.0
354.33807	13.8
367.17548	11.2
372.18582	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
55.05519	29.0
57.07071	7.2
59.05000	5.6
65.06204	4.4
66.12170	4.5
67.05518	47.1
69.07061	20.3
71.14130	11.2
79.05504	34.8
80.60535	4.6
81.03427	6.0
81.07063	48.2
83.04996	14.5
83.08628	12.9
85.02895	7.8
85.06538	10.6
91.05487	47.1
93.07046	100.0
95.04963	12.9
95.08616	60.8
97.06509	23.9
100.88820	5.8
101.05986	7.0
105.07036	60.7
107.08603	42.5
109.10162	40.7
111.04474	6.3
111.08051	8.0
117.06995	18.9
119.08591	71.1
121.06484	6.0
121.10134	43.8
123.08106	7.1
123.11713	9.2
129.07019	9.0
131.08560	36.8
133.10123	48.4
135.08086	10.6
135.11688	23.3
137.09567	5.1
139.07562	59.2
142.07768	12.8
143.08543	17.6
145.10136	42.7
147.08063	9.1
147.11678	12.9
149.09581	10.5
149.13277	7.5
155.08565	11.5
157.10130	35.9
159.11703	26.8
161.09569	7.6
161.13173	5.8
163.11143	7.6
165.09195	6.9
167.08565	7.1
169.10219	6.6
171.11693	19.8
173.09637	8.1
173.13312	14.3
175.14821	14.8
181.10054	7.0
183.11729	7.4
185.13188	7.5
187.14844	21.9
189.16412	7.4
197.13097	10.5
199.14780	7.0
205.81917	6.0
209.13329	10.5
213.12891	6.4
239.18172	6.6
283.20401	6.3
305.99692	6.5
335.23636	7.3
339.20126	5.9
350.17615	5.4
350.67740	8.2
353.24695	16.0
371.25833	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45851	2.6
55.05503	6.4
59.05011	3.1
65.68586	2.8
67.05492	5.7
69.03431	12.0
69.07061	11.5
69.32786	10.8
69.33216	9.4
71.04991	7.8
79.05482	3.9
81.03435	4.3
81.07058	9.0
83.04984	16.5
83.08634	4.6
85.02927	18.6
91.05472	4.5
93.07030	9.6
95.04948	8.0
95.08618	24.7
97.02853	4.7
97.06533	5.9
98.97666	2.6
105.07024	9.9
107.08608	32.4
109.06507	8.7
109.10177	16.1
119.08549	4.0
121.06504	4.8
121.09332	3.8
121.10158	43.1
123.08051	6.0
123.11664	4.5
125.09624	11.9
127.03937	3.0
131.08577	5.0
133.10143	29.1
135.08090	13.5
135.11684	4.9
137.09631	23.3
139.11174	6.3
147.11667	9.9
149.09624	12.8
149.13248	20.8
151.11197	92.0
158.10860	5.4
161.25566	2.6
163.14774	17.2
165.12779	9.0
173.13268	18.4
179.58751	3.0
191.14316	100.0
198.23691	2.7
202.15492	2.5
209.15382	87.5
267.33963	2.6
371.14090	9.9
378.36926	3.0
384.91437	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	371.2068
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
51.77441	0.7
53.03939	0.9
55.01848	2.8
55.05501	1.7
57.03410	0.9
57.07053	0.8
61.02905	0.8
62.89384	0.8
67.05516	4.1
69.03411	3.0
69.07067	3.8
70.06599	3.6
71.04984	0.6
71.53055	1.0
72.08142	1.2
79.05473	2.5
79.63780	0.6
81.03413	1.9
81.07061	4.5
83.04965	1.5
83.08621	1.1
84.08120	2.6
85.02914	5.8
85.06536	1.2
86.09674	2.2
88.07603	1.8
91.05447	4.5
93.07047	5.7
95.04947	2.3
95.08596	3.0
97.02868	1.8
97.06522	0.7
98.97576	1.8
99.04429	1.0
100.02190	1.1
101.05975	0.8
103.05470	1.1
104.07096	2.3
105.06995	4.6
107.04935	2.2
107.08601	11.4
108.35188	0.6
109.02859	1.1
109.06507	1.0
109.10175	3.3
110.10461	0.8
111.08045	1.2
116.98616	0.9
117.07059	3.3
117.07751	0.9
119.04960	1.5
119.08586	5.6
120.08062	1.0
121.06493	3.7
121.10143	4.4
123.08068	2.3
125.09599	1.3
127.03960	1.9
129.05518	1.0
131.04947	1.0
131.08580	7.1
133.02835	1.7
133.06416	0.9
133.10143	4.9
135.04398	1.2
135.08060	5.6
135.11673	1.6
137.05972	2.8
137.09602	2.2
145.10107	3.0
147.04370	3.3
147.08041	1.9
147.11700	27.6
149.05965	1.9
149.09627	7.4
149.13266	10.1
150.06795	1.3
151.03810	0.7
151.11218	1.0
158.10960	1.0
161.02348	0.8
161.09564	0.9
163.03979	1.0
163.11166	1.9
163.14783	1.7
167.07021	2.2
173.13257	10.1
176.11945	1.3
177.05554	0.8
179.07086	1.0
187.07597	1.3
189.12686	0.9
191.07013	2.1
191.14319	84.5
192.14642	1.7
193.05084	0.8
209.04355	0.9
209.15376	100.0
210.15727	0.8
221.04475	3.6
223.05988	1.2
229.14394	0.9
230.14735	3.7
234.02826	0.8
353.13541	1.1
353.20044	0.8
366.14499	0.8
371.11343	4.2
371.16751	24.4
371.21021	1.2
371.26074	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45483	0.6
53.03954	1.1
55.01883	0.8
55.05500	3.5
57.03423	2.8
57.07066	2.1
61.02919	1.3
67.05513	3.7
69.03088	1.3
69.03432	17.8
69.07070	4.4
69.67611	3.5
69.68029	1.7
70.06577	3.1
71.04991	1.1
72.08139	3.1
79.05499	3.8
81.03415	2.8
81.07057	6.6
83.04987	9.4
83.08611	2.9
84.08143	1.9
85.02910	8.6
85.06525	3.3
86.09698	3.6
87.04459	0.7
91.05480	3.3
93.07050	4.8
95.04984	2.0
95.08609	7.5
97.02878	3.5
97.06522	2.2
98.97594	1.6
99.04449	2.1
99.08079	1.4
100.07604	2.0
100.11268	3.9
105.07027	4.5
107.04915	0.9
107.08598	15.0
109.02878	1.4
109.06526	8.9
109.10143	3.2
111.04454	2.2
111.08107	7.8
115.08649	1.2
116.07101	2.0
117.07026	1.3
119.08582	4.7
121.06532	1.4
121.10147	10.1
123.08110	3.7
123.11719	3.8
125.09640	20.7
127.03912	4.2
128.07080	1.2
131.08585	8.6
133.10144	6.0
135.08054	20.4
135.11693	5.6
137.09644	1.7
143.08556	1.0
145.04962	1.5
145.10112	4.2
147.11700	2.4
149.09622	12.8
149.13258	5.2
150.10361	2.1
151.11209	1.3
153.09103	7.1
158.10876	4.3
161.09639	1.3
163.03865	1.0
163.11186	5.3
163.14853	5.5
165.12756	1.5
167.10672	2.5
173.13278	26.2
176.11987	2.7
182.15482	4.7
191.14313	96.4
194.02092	1.0
209.04413	6.3
209.15375	100.0
210.14778	4.4
227.17499	1.5
244.20340	1.2
299.16510	0.7
337.21143	2.3
353.19681	5.5
354.23911	5.6
371.11691	1.4
371.16617	14.4
371.20688	31.1
371.26419	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
54.52381	1.4
55.01865	1.8
55.05512	5.2
55.31580	1.3
57.03439	2.1
57.07081	1.4
61.02943	2.5
67.05486	3.6
69.03434	10.6
69.07067	4.0
70.91978	1.6
70.92326	3.7
71.04986	4.4
75.27830	1.4
79.05504	2.6
79.67082	1.3
81.03456	3.3
81.07066	7.1
83.04991	11.0
83.08626	7.6
85.02914	19.1
85.06544	3.5
87.04459	1.7
91.03944	1.7
91.05476	2.6
93.07048	5.6
95.04975	100.0
95.08649	4.3
97.02907	6.2
97.06541	1.4
99.04462	25.2
99.28754	1.4
105.07027	3.9
107.08610	8.0
109.06501	2.7
109.10133	6.6
111.08075	3.7
119.08615	3.0
121.10163	7.2
123.08119	1.7
123.11737	4.3
125.06045	1.6
125.09644	1.9
127.03927	4.3
131.08606	2.0
133.10130	6.8
135.08063	15.2
135.11726	1.3
139.11194	4.9
145.04971	3.4
147.11685	3.7
149.06013	1.6
149.09616	2.1
149.13251	5.4
149.58266	1.4
151.11143	3.8
153.09116	33.5
163.11230	1.5
163.14755	1.9
167.07178	1.9
167.14320	9.0
169.12242	1.6
173.13254	9.2
175.14879	2.1
177.05486	1.8
179.05963	1.7
181.12206	4.5
189.99922	1.3
191.14352	19.6
209.15381	59.5
223.93524	1.3
243.16142	1.4
290.33319	1.5
296.41577	1.5
371.16632	10.3
371.20868	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25071	0.5
53.03938	1.1
55.01860	1.2
55.05511	1.2
57.03428	1.6
57.07072	1.1
59.04991	0.8
61.02925	2.6
67.05515	2.3
69.03090	0.8
69.03432	11.7
69.07056	2.2
69.35940	4.5
71.04996	1.8
73.02901	1.0
79.05498	0.9
81.03423	6.7
81.07061	3.3
83.04980	3.3
84.08155	0.5
85.02909	25.3
85.06535	0.7
86.09690	0.5
87.04460	0.8
91.03952	1.1
91.05478	1.8
93.07037	2.5
94.49583	0.5
95.04976	3.0
95.08604	4.1
97.02898	7.7
97.06523	0.9
98.20657	0.6
99.04432	1.5
99.08073	1.0
105.07038	2.5
107.04950	0.5
107.08597	9.6
109.02886	2.7
109.06541	4.9
109.10152	1.5
111.08038	0.8
119.08578	3.0
121.06525	1.4
121.10144	8.6
122.07277	1.3
123.08070	4.7
123.11702	2.7
127.03931	4.1
131.08575	1.2
133.10120	2.6
135.08067	2.5
135.11717	0.6
136.07509	0.7
137.05975	1.0
137.09622	9.2
137.13249	1.1
145.04942	5.0
145.10092	0.7
147.11684	2.1
149.09634	6.5
149.13286	4.9
151.11186	14.2
156.77257	0.5
158.10941	0.7
161.09651	0.5
165.12756	38.9
167.07095	0.9
173.13287	1.4
187.07578	0.6
191.14301	12.9
192.25978	0.6
193.15906	2.0
209.15370	100.0
210.15649	1.3
217.08687	0.8
285.07489	0.7
285.81839	0.5
300.09851	0.8
309.11206	0.5
321.11310	0.6
336.86063	0.7
353.14059	0.8
373.88394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
69.03425	3.8
69.07045	1.6
70.55447	4.7
79.05499	3.9
81.07067	4.9
91.05488	3.4
93.07050	2.3
95.08645	2.0
98.71564	1.7
105.07066	2.6
107.08592	14.6
109.06534	5.7
109.10147	5.5
117.07030	2.0
119.08596	2.5
121.10165	7.8
122.07271	3.7
133.10130	100.0
135.08066	9.8
137.08540	2.6
137.09627	53.5
149.13255	9.6
156.76547	1.6
163.14859	2.6
173.13257	4.4
191.14293	39.2
192.08755	2.0
209.15451	7.5
273.88388	1.7
371.13293	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	371.1678
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05497	0.7
56.96553	0.7
57.03435	1.0
66.80862	0.4
67.05503	2.7
68.05018	0.5
68.05823	1.3
69.03415	1.4
69.07062	1.2
69.84397	1.8
70.06573	1.2
71.04988	1.1
72.08138	0.7
79.05489	1.4
81.03394	0.6
81.07064	2.2
83.04977	1.0
84.08135	0.6
85.02899	1.7
86.09717	1.0
87.00847	0.5
91.05489	1.8
92.05785	0.5
93.07045	1.6
95.04949	1.5
95.08586	0.8
97.02888	0.9
98.97599	2.5
100.02187	0.7
104.07106	1.9
105.07029	1.1
107.08603	1.5
109.02789	0.7
109.06489	0.6
109.10180	1.8
110.10487	1.8
110.97591	0.5
111.04423	0.7
116.98683	0.5
119.08581	0.7
120.08111	2.3
121.06520	0.6
121.08444	1.2
121.10181	1.0
127.03898	0.7
129.05499	0.8
131.08600	0.4
133.10159	1.0
137.05995	0.9
137.09624	0.9
145.10115	0.5
147.04349	0.6
147.11557	0.6
149.05956	0.4
149.13301	0.6
151.07550	0.6
151.11151	0.9
153.09117	0.5
158.99693	0.8
167.07059	0.9
174.12138	1.0
179.10574	0.5
191.10567	0.8
191.14302	1.4
192.40349	0.4
197.11609	0.5
203.05220	1.3
209.11501	1.9
209.15340	1.4
229.07280	1.2
229.14409	0.9
230.14694	4.3
240.94475	0.4
268.15320	0.5
285.01019	0.5
297.08878	0.6
307.78665	0.4
327.15707	0.6
353.25238	0.8
371.16785	100.0
372.17038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
56.57460	1.7
56.96552	4.5
58.26565	1.6
67.05499	3.5
70.06577	4.0
71.04964	2.8
71.13935	4.5
72.54675	1.8
73.44405	1.8
74.51692	1.8
79.05466	1.8
81.07038	2.5
83.04960	2.0
85.02911	3.0
86.09685	2.6
88.07592	3.9
91.05455	2.4
93.07037	2.8
95.04968	4.6
95.08576	2.3
96.87892	1.9
97.02902	2.4
98.97585	40.0
99.04419	2.7
103.73158	1.9
107.08597	3.8
109.06551	2.1
109.10106	1.8
111.08077	2.1
116.98616	10.7
121.10231	2.1
121.19073	1.6
135.08037	2.2
137.09624	3.1
158.99615	6.2
173.13255	2.2
177.00797	2.5
179.10699	2.1
191.14272	6.6
209.15338	5.6
251.09439	5.8
269.10544	7.9
308.80872	1.8
316.87762	1.9
342.53128	1.9
353.25223	2.2
371.17087	100.0
388.97183	2.4
390.39841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03946	3.2
55.01867	2.0
55.05509	3.6
57.03444	1.6
57.07077	1.9
61.02932	2.0
67.05500	4.8
69.03435	8.9
69.07076	2.9
69.49224	10.1
70.06603	2.8
71.05005	2.9
72.08162	1.7
78.04703	3.6
79.05499	13.1
81.03430	16.5
81.07053	8.3
82.90761	1.4
83.04984	3.4
83.08622	2.1
85.02901	9.2
85.06539	3.1
86.09699	2.9
87.04444	1.8
91.05460	7.9
91.63905	1.2
93.07047	11.2
95.04972	44.1
95.08610	5.3
97.02884	3.6
97.06541	2.7
98.97600	1.7
99.04459	11.0
100.11261	4.5
103.05465	4.5
104.29205	1.3
105.07024	13.7
106.04194	1.6
107.04955	11.5
107.08611	11.0
109.02869	6.3
109.06529	3.1
109.10146	2.6
111.04446	4.6
111.08065	2.3
115.05473	3.0
117.07017	2.6
119.04911	1.5
119.08598	5.0
121.06500	4.6
121.10146	6.4
122.75797	1.4
123.04423	6.7
124.05203	2.2
127.03889	7.3
128.06207	2.4
129.05507	2.4
129.07034	10.5
131.04930	4.0
131.08560	2.0
132.05716	2.2
133.06534	7.5
133.10150	6.6
135.08049	2.6
137.05972	4.1
137.09636	2.0
144.05727	2.3
145.06509	1.7
145.10121	3.8
147.04361	1.4
147.08037	3.9
149.05994	1.9
149.09633	6.0
151.07562	3.5
151.11188	1.7
152.04782	3.4
153.05440	2.0
153.09096	10.1
155.07027	2.3
156.05704	1.9
157.06519	1.5
159.08035	8.1
161.05962	11.2
163.11253	7.9
167.07047	100.0
167.10709	4.9
172.05188	2.8
173.13162	1.7
175.07542	26.0
177.09171	1.3
178.54158	1.5
179.07050	1.5
182.15346	2.4
187.07532	24.4
189.07036	2.5
189.08913	1.8
191.06992	7.9
191.10678	4.9
191.14316	5.9
199.07565	7.6
203.08630	3.3
205.06526	2.4
206.07291	3.6
209.11768	3.0
209.15337	12.1
210.14908	3.1
217.08545	3.5
218.07263	3.6
219.08142	2.3
220.08766	2.0
221.09535	4.1
227.12804	3.2
231.08051	2.4
233.09602	4.2
234.06784	3.9
235.07610	2.7
246.06767	2.9
247.07608	2.6
249.09190	7.6
260.08313	2.6
261.08966	3.8
263.07007	2.5
266.09308	3.1
277.08548	3.6
281.11719	12.8
289.08603	4.7
291.10486	1.9
293.08014	1.9
293.11624	3.1
294.08786	2.3
295.09964	1.8
302.53546	1.5
307.09848	2.1
309.11258	14.6
309.55200	1.4
310.11859	2.6
321.11194	6.0
322.12222	2.1
325.14346	2.7
326.11411	4.1
341.13803	21.5
353.14011	5.8
362.27402	4.2
371.16345	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	371.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72336	1.8
56.96587	1.9
57.03439	4.1
61.02930	4.7
69.03439	15.2
69.67741	10.0
73.04743	2.8
74.02441	11.1
77.27809	1.8
80.78989	1.7
81.03414	8.1
84.04538	1.9
85.02908	37.6
88.03970	2.6
91.05828	3.7
94.06577	85.6
97.02911	10.8
98.97601	3.7
99.00831	8.6
104.05002	5.6
109.02881	4.1
112.99142	28.8
115.03936	3.5
118.05817	3.1
118.06556	30.8
119.01831	3.1
120.04484	30.2
124.07629	1.6
127.03934	7.1
130.06578	2.9
131.00200	15.7
132.04449	7.0
132.08090	6.7
135.42935	1.9
136.07591	42.7
136.08577	3.5
142.92711	1.7
145.04994	3.9
146.06020	55.4
149.01305	4.2
150.05493	16.3
156.04460	5.7
158.06046	4.0
158.99687	3.2
160.07608	4.8
163.08681	7.7
164.07030	4.6
170.06047	8.2
171.25797	2.0
174.05542	21.8
175.02814	2.3
178.05019	2.5
184.07622	3.3
188.07144	3.9
190.05054	3.0
192.06566	100.0
193.03856	4.5
196.07550	5.4
200.04446	3.5
202.08699	3.9
208.07748	2.9
209.09233	97.5
213.03340	4.5
218.06706	2.3
224.07167	1.9
226.08646	3.2
233.09175	2.3
234.07634	5.3
235.04884	22.4
236.07095	2.6
238.08855	2.5
244.09726	4.4
251.10333	3.1
253.05995	7.4
254.08046	2.2
262.10794	5.9
270.07614	9.6
273.00385	2.2
285.01273	2.1
294.06113	2.2
298.12930	3.5
300.08817	5.1
309.90738	1.7
311.10141	8.8
318.09784	15.6
335.12482	4.0
336.10785	8.2
355.07031	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	371.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.2
55.01867	4.2
56.96556	10.9
57.03432	7.8
61.02929	23.5
62.52258	2.3
64.33608	2.3
69.03436	23.1
71.04958	2.7
73.02914	10.5
73.04750	6.1
81.03423	6.3
85.02908	52.3
87.04469	4.6
88.98142	2.2
91.05788	8.0
92.17209	2.4
97.02893	13.7
98.97579	24.6
101.00824	2.5
109.02904	3.9
110.01270	3.2
110.97552	4.7
112.99138	100.0
116.98621	7.7
119.01822	14.3
127.03940	24.4
128.02335	7.1
128.98596	6.7
131.00174	89.0
131.01685	3.4
133.03445	3.4
137.01842	3.3
137.02814	4.9
143.01927	4.9
145.03500	4.5
145.04956	12.2
146.99579	5.0
149.01239	29.2
152.02309	4.7
153.01303	5.8
158.99641	4.9
161.02914	7.0
162.01840	4.4
163.04565	2.6
168.01843	2.4
169.04384	5.0
170.99678	4.9
171.01198	2.7
173.02992	3.9
174.99146	3.4
175.02704	11.5
177.00743	3.3
178.03397	2.3
178.04938	14.9
182.03342	3.6
183.02313	8.0
184.97516	3.7
186.99178	5.3
189.00702	5.4
189.02455	2.6
191.03952	4.7
193.03870	20.2
200.04428	5.0
201.00703	4.7
202.98570	3.0
204.02780	19.5
205.00119	3.3
211.04901	10.7
213.03403	50.5
213.53543	4.4
217.00310	3.4
219.01755	3.5
222.03922	24.8
222.54124	3.2
230.98141	5.7
231.01941	3.0
235.01303	4.2
235.04886	84.3
237.02678	3.8
247.01192	3.0
249.06461	9.9
253.05952	34.6
257.02734	4.8
259.07523	6.8
263.00681	5.0
264.04938	10.0
276.07437	3.4
283.02936	3.2
285.01071	4.4
294.06033	41.2
294.56140	4.9
302.58548	2.6
303.06476	8.1
303.56754	3.6
311.10098	38.8
327.02145	4.0
355.06866	3.9
365.04108	5.3
371.02319	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31940	2.2
55.01879	3.2
55.05507	5.3
56.05017	2.3
56.96559	7.5
69.03419	5.5
70.06589	21.3
71.53181	2.5
71.53580	2.8
72.08171	2.5
73.04749	8.9
79.05501	4.3
80.89378	2.1
81.03415	4.4
81.86987	2.5
84.04500	2.6
84.08145	4.5
85.02902	7.4
85.92338	2.1
86.09688	3.3
91.05804	16.7
95.01317	3.2
95.04924	2.3
97.02883	3.2
98.97600	6.9
107.04917	3.3
111.04482	3.6
112.99131	7.7
116.98560	2.3
117.03400	6.5
121.02865	17.0
126.77466	2.2
127.03892	4.3
129.05493	4.7
131.00209	6.5
135.04396	17.8
137.02341	17.8
137.05963	4.6
141.32542	2.9
145.02832	8.6
147.04446	6.2
147.06557	3.9
149.01224	4.5
149.02321	2.6
153.05472	78.9
163.03911	100.0
169.13374	3.6
177.05524	3.0
179.03447	4.1
180.06747	2.3
195.06551	23.5
197.04413	5.2
197.12859	2.9
203.03423	30.1
209.04356	3.8
215.03397	6.3
231.03018	3.1
235.04927	3.3
261.03909	5.4
267.00159	2.9
268.97900	2.8
279.04977	9.8
285.00995	10.8
291.05148	5.8
321.06055	3.8
328.64935	2.5
329.05597	3.7
335.07776	2.8
339.07080	12.2
347.06403	3.0
355.06900	9.1
356.65961	2.4
371.13010	22.9
371.16919	37.3
374.40906	2.6
386.87546	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	370.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	52.5
57.03424	23.2
57.07040	25.6
67.05490	40.5
69.03452	24.5
69.07040	42.2
69.42847	73.0
69.43254	100.0
70.06572	26.6
72.55184	26.3
81.07043	58.5
85.02912	32.7
91.05473	47.9
93.07031	39.6
95.04980	23.1
95.08620	36.3
97.06522	30.3
98.97601	31.9
105.07024	27.3
107.04974	32.5
107.08573	30.1
109.10146	31.5
138.10101	24.0
145.10045	23.5
157.10049	26.4
177.05884	28.9
186.97813	22.9
214.17995	55.8
227.22440	26.3
232.55919	24.7
255.09021	24.9
352.32111	99.3
370.26196	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53980	11.1
69.07043	10.4
69.19595	100.0
91.05450	10.6
108.42207	10.9
153.33778	9.4
171.52312	10.7
239.34236	10.0
279.13553	10.4
329.29703	11.8
339.31723	12.0
370.40393	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87403	0.4
57.03432	0.7
61.02922	3.0
64.27628	0.5
69.03428	0.9
69.07068	7.2
69.89537	2.3
73.02909	1.0
84.08189	0.6
85.02895	3.5
86.09709	100.0
87.10033	0.7
97.02906	1.7
98.03214	0.5
98.20786	0.6
98.97578	0.7
99.04420	0.6
101.00838	0.7
107.08172	0.5
107.56031	0.5
108.04460	0.5
110.07157	1.0
112.99155	1.8
115.00687	0.5
115.02420	0.7
119.01930	0.7
127.03947	1.1
131.00162	1.5
131.02026	0.5
132.10211	77.3
133.03400	0.7
141.05029	0.5
146.78067	0.6
148.03854	2.1
205.05652	0.6
212.04539	0.8
234.06670	0.7
234.56850	0.8
235.06876	0.6
242.03418	0.9
242.05475	1.6
249.06367	0.9
261.08408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01868	5.6
55.05508	5.3
56.96571	3.8
57.03437	9.9
59.04991	2.1
61.02927	7.2
65.19391	1.6
65.60561	1.6
66.00715	2.0
67.05513	3.5
68.99791	2.3
69.03091	3.0
69.03440	43.9
69.07066	16.5
69.80842	8.7
70.06610	11.0
71.04993	7.9
72.08173	8.8
73.02922	4.2
79.05479	3.8
81.03421	27.5
81.07034	3.5
84.04507	4.9
84.08135	8.2
84.96037	1.9
85.02913	100.0
85.06568	2.8
86.03242	2.0
86.09721	10.6
87.00837	43.4
87.04476	2.7
87.08110	13.2
91.05460	3.5
93.07062	3.0
94.06557	2.9
95.04991	4.1
95.08625	3.2
97.02900	30.3
97.06525	4.0
98.06069	3.9
98.97589	7.6
99.04458	12.9
100.07605	1.9
103.03972	2.0
105.01878	59.8
105.07043	3.2
107.08614	4.1
109.02888	26.3
109.10166	3.2
110.07145	2.9
111.04501	2.1
111.08116	1.9
115.07561	9.4
116.07094	3.7
116.98642	1.7
117.03417	1.9
118.03754	2.8
118.06557	7.2
120.04488	11.7
123.04375	2.7
124.99997	2.6
127.03929	79.6
128.98595	2.7
129.01817	2.6
129.10132	3.4
130.06537	4.3
131.00182	2.3
131.07053	4.2
132.08115	9.5
136.07599	10.6
137.06015	2.8
137.91832	1.6
145.02846	8.5
145.04967	20.0
145.08585	7.6
146.03166	6.3
146.06015	22.1
147.04422	4.1
151.03909	3.1
155.10655	3.3
156.07899	2.1
158.99657	2.4
159.02956	4.9
160.07596	11.3
162.05475	1.9
163.03935	2.1
172.07515	3.1
174.14354	1.7
177.05478	10.9
178.05867	16.6
179.03386	4.3
182.41324	1.8
184.07477	3.6
189.04028	3.4
190.61246	1.9
191.09207	1.9
191.12859	2.1
195.10199	4.9
202.08968	1.6
208.09630	3.5
213.03976	5.8
213.11269	7.3
219.01822	2.0
227.45729	2.2
231.05066	23.0
237.02878	2.2
244.16853	1.6
249.06041	5.5
289.08102	2.6
299.11377	11.5
299.14407	1.6
317.12277	31.5
335.13330	3.8
365.05396	4.5
370.11584	6.0
370.15320	4.5
370.23004	10.7
371.16931	9.6
393.91806	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01865	5.2
55.05507	6.3
56.96564	2.1
57.03443	10.5
59.04992	7.8
60.04492	2.3
61.02912	8.0
67.05498	5.6
68.05009	2.4
68.99761	2.4
69.03433	41.3
69.07075	15.4
69.91312	4.9
69.91710	3.2
70.03731	1.9
70.06591	15.6
71.05003	20.5
72.08141	7.7
73.02905	8.4
75.29979	2.0
79.05495	3.6
81.03426	23.7
81.07042	5.3
83.04980	2.7
83.08610	2.9
84.04493	5.3
84.08136	7.3
85.02911	100.0
85.06546	2.3
86.09702	4.9
87.00838	42.8
87.04460	2.8
87.08111	10.6
91.05477	4.0
93.07030	5.6
95.04968	7.7
95.06033	2.0
95.08609	4.6
97.02902	28.1
97.06535	12.7
98.06080	15.7
98.21487	2.4
98.97599	11.0
99.04466	15.5
105.01871	56.9
105.07023	2.9
107.08579	5.1
109.02882	27.3
109.06520	2.4
109.10166	2.7
110.07143	3.2
111.08057	3.0
113.06002	3.6
115.07567	6.6
116.07084	4.1
116.98637	3.8
117.03393	2.9
118.03696	2.8
119.08575	3.7
120.08064	3.0
121.10155	3.5
123.04452	4.2
123.11703	2.5
127.03923	79.6
127.07500	4.3
129.01857	2.4
131.04857	2.0
131.07056	13.4
131.08519	2.7
134.06023	2.8
137.05933	3.4
137.09630	3.8
140.07018	2.6
145.02815	5.8
145.04973	19.5
145.08614	27.5
146.03191	7.1
146.06013	3.2
147.02913	2.2
151.03787	2.6
155.10677	8.0
158.99646	4.2
159.02914	5.0
173.13216	2.6
177.00670	2.7
177.05447	8.9
178.05878	9.8
183.10245	2.0
191.09195	11.2
191.12791	5.1
191.14349	3.7
193.04970	7.4
195.10239	2.4
199.04372	2.3
208.09605	3.9
209.04424	2.5
209.15334	5.5
213.03917	3.6
213.11169	4.2
219.01724	4.2
231.04987	24.6
237.02751	3.1
249.06009	6.9
273.13480	2.8
289.08456	2.7
299.11121	6.0
317.12274	23.1
333.12164	2.0
347.04779	2.0
351.13077	2.9
352.21063	4.7
370.15063	7.2
370.22424	24.6
371.12741	4.0
371.16736	10.1
371.21365	2.5
371.64459	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79859	2.3
53.03946	5.0
55.01869	14.7
55.05515	56.6
56.96568	8.2
57.03444	24.0
57.07073	4.6
65.03940	3.6
67.05508	100.0
69.03434	14.3
69.07071	55.9
69.24384	13.8
69.24812	9.3
70.06539	2.5
71.04996	11.2
71.08632	26.6
79.05498	45.4
81.03424	13.4
81.07060	95.7
83.04986	14.6
83.08623	41.4
85.02921	7.6
85.06548	8.8
91.05484	42.3
93.07048	55.8
95.04955	15.7
95.08614	47.9
97.02881	4.9
97.06538	23.2
97.10177	18.4
98.97608	9.7
99.04450	4.9
99.08099	25.5
105.07043	47.6
107.04969	4.7
107.08597	37.4
109.02831	2.7
109.06532	12.2
109.10156	37.8
111.08128	13.4
111.11685	2.9
113.09676	4.7
116.98695	5.1
117.07021	8.6
119.08597	32.0
121.06497	2.8
121.10161	27.7
123.08104	8.0
123.11723	11.6
125.09618	12.4
127.03922	4.8
129.06973	4.4
131.00179	2.6
131.08597	8.1
132.89021	2.5
133.06514	2.9
133.10136	26.2
135.08011	2.5
135.11671	17.1
137.05972	3.5
137.09633	7.9
137.13289	3.0
139.11214	11.1
143.08560	6.5
145.10106	12.9
147.11667	28.5
149.09651	7.7
149.13278	13.6
151.11218	21.3
157.10179	5.9
159.11755	5.6
161.09576	13.2
161.13304	13.8
163.03935	9.2
163.11217	12.8
163.14767	4.4
165.12776	18.2
167.14397	4.1
171.11703	8.0
173.11754	14.1
173.13216	5.1
175.11253	3.3
175.14864	3.3
177.05550	6.2
179.10611	7.1
179.14337	9.6
181.12274	3.6
183.13733	2.9
189.11249	10.5
189.12811	4.1
190.95392	3.8
193.12300	4.4
193.15875	2.8
195.13885	3.5
199.14905	3.4
205.06703	2.9
207.13779	6.8
211.07663	3.4
213.05571	12.9
227.12711	4.2
229.14417	7.2
231.21175	4.0
232.96483	6.4
235.17076	3.1
238.27652	2.7
241.19626	7.0
245.13805	3.6
249.22243	5.8
250.97600	4.3
259.09741	5.3
259.20590	10.8
266.90973	2.3
269.17511	5.8
277.18472	4.5
277.21646	72.6
295.22720	14.3
309.14804	5.1
322.96390	3.0
323.02560	2.4
337.14453	9.8
351.18243	3.2
351.25336	28.7
369.17139	4.4
369.26443	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.8
55.01873	13.6
55.05276	3.8
55.05517	52.0
56.96561	7.1
57.03439	19.3
57.07064	7.7
63.12559	2.1
64.44715	2.4
65.03933	5.9
67.05510	91.3
68.74303	2.6
69.03433	4.8
69.07072	30.7
69.24808	17.0
69.25213	6.5
71.04978	10.3
71.08630	39.5
71.49111	2.5
77.03931	2.8
79.05499	75.8
80.05851	2.7
80.06274	2.7
81.03417	12.7
81.07062	100.0
83.04982	16.3
83.08203	3.2
83.08627	28.1
85.02913	3.2
85.06532	9.4
91.05491	67.1
93.07047	87.8
95.04968	22.4
95.08613	58.0
97.06545	11.9
97.10173	15.2
98.20803	5.1
99.08099	30.6
105.07043	47.8
107.04954	5.0
107.08607	51.0
109.06516	8.5
109.10168	34.6
111.08067	7.4
113.09634	4.0
115.05419	3.4
116.60751	2.6
117.07037	20.4
119.08597	43.1
121.06493	3.2
121.10159	28.7
123.08075	7.7
123.11694	8.3
125.09639	14.0
127.11163	3.7
128.06209	4.5
129.07002	14.8
131.08563	20.8
133.02866	6.2
133.06487	4.4
133.10149	37.0
135.08043	9.6
135.11708	22.9
137.09583	4.4
139.07481	3.2
139.11168	3.8
141.07016	5.6
143.08574	8.5
145.10172	14.2
147.08041	4.4
147.11705	26.7
149.13257	21.5
151.11188	51.9
157.06483	6.0
157.10164	11.5
159.04422	3.4
159.11700	15.7
161.02339	19.1
161.09622	3.9
161.13295	17.8
163.03938	11.3
163.11163	11.3
163.14888	5.8
165.12743	7.5
167.08629	2.9
167.14241	2.8
171.10176	3.8
171.11665	5.7
172.94354	12.3
173.02303	12.5
173.11703	14.8
173.13280	7.1
175.11194	13.8
175.14818	6.4
176.11923	20.8
177.12706	11.4
179.14331	8.6
185.05902	5.6
185.13339	4.3
187.03920	50.3
187.14827	2.8
189.11208	16.0
189.12724	4.3
190.95386	12.6
193.12270	4.2
195.13799	8.8
199.03902	15.0
199.14813	3.6
201.05486	7.2
207.13808	4.3
208.96564	4.0
213.05437	24.5
221.15324	3.4
225.05545	12.7
225.66747	2.5
227.06992	4.4
227.12677	12.8
232.96475	19.2
239.07065	13.3
241.19469	9.5
245.13889	10.3
249.22050	3.4
250.97606	8.3
253.17998	9.9
259.20627	16.1
269.17490	30.2
277.21655	76.2
304.95142	3.8
309.15009	3.5
319.13348	5.9
322.96115	5.5
337.14352	32.9
351.25363	56.6
369.17059	11.4
369.26630	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2428
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03927	5.4
55.05506	17.8
57.07066	13.0
67.05509	34.0
68.69146	6.5
69.07074	32.0
71.04976	9.7
71.54974	8.8
79.05489	30.7
81.07066	47.0
83.04964	8.3
83.08609	17.1
85.06526	9.2
90.06903	5.4
91.05486	46.1
93.07044	53.4
95.04960	29.1
95.08622	74.4
97.06516	13.8
105.07043	60.0
107.04906	7.0
107.08606	66.5
109.06536	14.5
109.10163	43.4
111.08100	31.3
117.07014	16.1
118.76996	6.7
119.08588	100.0
121.06502	8.0
121.10126	46.4
123.08044	17.6
123.11728	18.8
128.06247	9.2
129.06995	14.3
130.07802	9.3
131.08575	57.2
132.09285	8.6
133.10146	68.4
135.08052	23.2
135.11691	18.8
137.05986	81.8
137.09651	12.0
139.07556	8.8
139.11195	5.3
142.07776	16.7
143.08603	32.9
144.09334	8.3
145.10132	52.3
147.08044	16.7
147.11685	21.9
149.09608	24.6
149.13280	7.8
155.08548	18.8
156.09369	14.5
157.10143	52.7
158.10878	10.0
159.08047	17.2
159.11670	45.0
161.09576	9.3
161.13274	10.2
163.11084	8.2
163.14835	6.8
168.09288	7.6
169.10139	18.8
170.10910	8.6
171.11722	35.4
173.09592	8.5
173.13216	24.1
175.14896	39.2
177.09213	7.7
181.10034	10.5
183.11697	21.6
185.13254	20.7
187.11200	10.1
187.14839	41.4
195.11662	15.1
196.12550	8.2
197.13290	23.0
199.14786	12.6
201.12630	10.3
203.10597	7.3
205.15706	8.3
207.11880	7.5
209.13229	21.5
211.11166	11.4
211.14850	14.0
213.12663	7.0
213.16464	7.4
215.14333	6.7
217.15796	8.6
223.14851	7.5
226.66141	6.5
229.12222	12.6
231.17293	5.8
233.15361	6.9
235.14705	5.8
237.16386	11.7
239.14351	6.2
239.17912	10.6
243.17342	9.0
257.15332	9.0
265.19464	13.8
283.20532	5.7
293.18973	8.0
333.22058	5.8
351.23181	20.5
369.24240	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.01870	8.4
55.05500	27.3
56.96563	18.9
57.03437	14.9
57.07062	16.5
59.04999	5.9
66.29393	5.0
66.95293	4.8
67.05504	64.2
69.03424	6.2
69.07069	35.5
69.34975	22.3
69.35405	20.7
71.04996	27.9
71.08632	10.1
72.49469	4.9
78.00404	4.8
79.05500	45.7
81.03419	10.4
81.07053	59.7
83.05000	17.0
83.08614	19.3
85.02889	7.2
85.06529	26.4
91.05485	53.8
93.07055	55.5
95.04972	81.9
95.08604	47.5
97.06547	28.1
97.10136	5.5
99.04443	6.4
99.08101	6.6
104.48332	5.1
105.07024	52.2
107.08588	56.8
109.06530	27.7
109.10166	22.1
111.08073	7.5
113.06017	5.1
117.06979	27.3
119.08570	52.7
121.06505	9.8
121.10130	30.9
123.08096	16.3
123.11703	12.6
128.06204	9.4
129.07025	12.0
130.93341	6.2
131.08591	51.1
133.10129	39.6
135.08063	27.3
135.11707	15.3
137.05988	8.4
137.09608	16.0
139.11180	6.0
142.07811	10.2
143.08577	23.5
145.06410	5.8
145.10135	46.7
147.08055	20.0
147.11684	26.4
149.09633	21.2
149.13223	9.2
151.07536	7.9
155.08568	19.5
155.10641	7.5
156.09332	14.4
157.10152	40.6
158.10979	6.1
159.08055	9.2
159.11713	32.7
161.09628	35.1
161.13242	9.3
163.07448	5.1
163.11194	9.3
165.07135	5.1
165.09084	9.1
169.10123	19.2
170.10907	10.2
171.11699	31.3
172.94373	23.5
173.09641	18.0
173.13268	15.3
175.11188	16.3
175.14914	10.8
177.12787	9.0
179.08543	9.7
181.10147	12.7
183.11702	19.6
185.13264	15.5
187.11124	7.4
189.12735	13.1
190.95439	19.7
193.10152	11.3
195.11644	18.5
195.13614	9.1
197.09660	5.9
197.13289	19.1
198.10445	5.1
199.11185	7.6
199.14786	5.5
201.12798	7.8
203.14474	9.7
207.11841	11.7
207.13757	9.7
208.96584	7.0
209.13306	17.6
211.14828	15.2
213.12848	8.9
214.95491	6.3
215.14369	6.5
221.13313	13.2
221.15381	12.1
223.14845	19.0
225.16293	12.0
227.14391	10.0
232.96477	25.2
233.15468	7.4
239.14229	5.5
241.15875	15.6
249.16335	5.8
250.14026	5.3
250.97514	21.2
251.14421	10.1
251.17921	11.6
253.15903	12.1
265.15936	7.0
267.17450	12.0
269.17502	8.7
277.21619	10.3
291.20966	9.3
293.19095	9.3
295.17154	7.7
309.22104	16.5
311.20139	13.1
322.95984	5.5
333.22131	11.5
351.22968	44.4
369.16830	10.0
369.24075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.9
55.01866	6.1
55.05515	9.1
56.96558	2.3
57.03426	3.0
57.07062	1.5
59.04958	0.7
59.22522	0.7
59.42674	0.7
67.05506	10.8
69.03422	1.9
69.07072	7.1
69.89821	0.7
71.04975	1.7
71.08624	2.7
71.54269	0.8
71.54652	1.0
77.88985	0.7
79.05490	8.8
80.05827	0.9
81.03411	1.3
81.06590	1.5
81.07064	29.3
83.04994	3.6
83.08638	4.6
85.02905	1.5
85.06535	0.7
85.47033	0.7
91.05481	6.2
93.07056	7.5
95.04964	2.3
95.08616	9.7
95.51962	0.8
97.06533	3.5
97.10189	1.5
99.08060	0.9
105.07033	7.2
107.04968	1.5
107.08604	6.8
109.06520	12.8
109.10168	4.5
111.04449	18.4
111.08102	1.4
117.06993	1.8
119.08577	6.8
121.10141	6.0
123.04453	0.9
123.08078	2.7
123.11701	2.5
125.05990	5.2
125.09677	1.0
127.03918	0.8
128.06209	1.3
129.07002	1.1
130.93295	1.0
131.08539	3.5
133.06516	0.8
133.10141	6.7
135.08055	3.0
135.11708	5.7
137.05986	100.0
137.09616	2.4
137.13287	1.6
138.06351	0.9
141.06995	1.0
142.07730	0.7
143.08540	2.9
145.10121	2.8
147.08043	2.6
147.11696	8.4
149.09633	5.1
149.13287	3.0
150.49228	0.8
151.07536	2.7
151.11188	1.7
157.10156	2.7
159.11731	2.1
161.09650	6.8
161.13290	4.0
163.11237	3.1
163.14862	0.9
165.09126	1.6
165.12747	1.2
167.10692	0.9
171.11676	1.6
172.94376	1.8
173.13203	1.1
175.11180	5.5
175.14871	1.3
179.10748	2.3
184.05011	0.8
189.12799	1.6
190.95448	2.6
193.12259	2.1
197.06024	1.7
199.03943	4.0
203.18013	4.4
207.13754	1.2
208.96434	1.1
213.16414	2.9
221.19020	1.9
223.14957	1.2
225.05528	2.2
231.17444	8.8
232.96428	3.8
236.44354	0.8
241.15927	1.4
249.18510	11.5
250.97630	1.0
253.08630	0.8
277.18008	74.8
277.21243	3.3
278.18280	1.2
291.10208	1.6
295.13855	0.9
295.19095	13.0
319.13489	1.4
331.30679	0.8
337.14200	4.2
351.21622	14.0
351.25357	1.3
369.16983	1.5
369.22842	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	369.1183
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
61.07524	0.6
67.05490	1.2
69.03420	1.8
69.27706	5.2
72.08162	0.6
81.03391	0.7
83.04987	1.1
85.02900	2.2
85.06564	0.6
89.03928	8.3
91.05476	1.4
93.07050	1.2
94.34515	0.6
95.04961	0.6
95.08601	2.4
97.02895	1.0
98.21623	0.6
103.05519	0.7
105.07010	1.1
106.04114	0.7
117.03387	25.1
117.91103	0.5
119.08595	1.5
119.50011	0.5
121.10146	1.1
123.93839	0.6
127.03963	0.7
133.10143	1.3
134.03622	1.8
135.04405	0.7
135.07959	0.6
145.02852	51.7
146.03154	0.8
146.88982	0.7
149.05988	8.5
149.09616	2.6
151.11182	1.6
161.13210	0.8
163.11174	1.7
171.11684	1.0
174.10399	2.3
177.05478	100.0
178.05869	1.3
186.05505	0.6
189.12727	5.1
191.14323	1.7
207.13802	5.2
249.64857	0.7
351.10361	0.6
369.14954	5.2
369.18512	0.5
371.51941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34906	4.6
55.05497	6.1
56.96559	25.3
58.85784	4.4
61.11285	4.3
67.05529	5.3
69.03437	13.2
69.07065	5.3
69.66969	18.7
69.67377	11.3
70.06602	30.7
71.04997	13.7
72.08142	7.7
73.02932	6.8
81.03439	7.1
81.07056	5.2
83.08614	5.5
84.04530	7.1
84.08138	6.9
84.96039	9.2
85.02907	33.8
85.06570	6.3
86.09718	9.8
91.05473	5.9
93.07026	7.0
95.08646	6.7
97.02894	14.3
97.06523	7.0
98.97596	57.8
101.05993	6.1
107.08654	8.9
109.02876	6.9
110.97565	34.2
116.98634	25.0
117.03394	5.9
121.02879	4.3
127.03905	11.2
128.98627	28.3
129.10246	6.7
135.11685	6.6
143.00177	4.8
145.02867	8.1
146.99648	16.6
153.12724	6.1
158.99669	6.3
161.01199	5.8
163.03906	9.3
170.99667	7.0
171.13823	9.7
177.00687	7.3
177.05472	27.2
178.05032	7.8
179.05331	5.4
183.69144	4.7
189.12798	10.1
189.14803	6.5
194.57324	4.7
201.00818	7.4
203.05695	9.3
203.07582	5.9
206.04492	9.6
207.04799	11.2
207.15961	6.1
213.12337	16.0
219.01776	45.7
225.04428	4.9
236.02499	4.6
237.02829	100.0
243.05525	4.8
245.08435	8.1
279.68207	4.9
369.09277	89.5
369.15433	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	368.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	15.5
57.07064	8.1
60.04504	8.5
67.05506	48.9
69.07053	13.7
71.08629	9.3
71.55004	10.5
79.05489	18.7
81.07057	46.5
83.04974	11.2
83.08603	20.6
91.01764	6.5
91.05492	19.1
93.07023	23.9
95.04974	75.9
95.08612	27.0
95.70046	6.6
99.08069	7.2
100.11260	100.0
105.07067	12.4
107.04964	9.4
107.08575	19.4
109.06535	21.5
109.10146	9.3
113.06004	6.0
115.03768	6.3
115.69946	6.9
117.07008	8.5
119.08585	8.2
119.72735	6.2
121.10141	10.5
123.08044	9.5
129.07001	7.5
129.64153	6.4
131.08571	15.9
133.10104	7.0
135.08037	21.6
135.11728	7.9
142.12260	27.5
145.10063	11.2
147.08014	9.4
161.09657	10.7
175.11153	7.9
190.95366	7.3
201.91594	6.7
221.15280	7.1
222.15750	20.9
250.97429	9.8
273.18567	64.0
277.21677	10.2
291.19516	10.0
305.21088	64.7
308.25858	13.9
318.16635	7.8
332.26654	22.7
350.27716	49.2
368.27911	24.1
368.42566	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55095	1.9
55.01871	4.0
55.05496	4.5
57.03442	23.8
57.07073	2.2
57.61834	2.2
67.05507	22.7
67.92865	2.0
69.07054	4.7
69.16819	20.7
79.05486	10.6
81.07066	11.7
85.06549	25.6
91.05478	8.5
93.07033	9.2
95.04971	48.3
95.08589	7.6
98.20720	4.6
105.07040	6.8
107.08584	7.6
109.06522	33.2
109.10164	4.4
110.67261	2.6
111.08112	2.5
113.06009	100.0
117.07019	6.4
119.08564	5.7
121.10169	3.0
123.08034	4.0
129.07054	3.1
131.08577	8.7
135.08049	22.6
135.11656	4.6
137.09557	2.3
139.65146	2.2
143.08514	3.9
145.10158	5.1
147.08057	2.7
149.09579	2.5
157.10100	3.5
159.11711	3.1
161.09589	4.0
175.11337	3.1
177.12685	4.9
193.62645	2.4
217.15898	9.0
232.96455	5.6
233.15523	2.5
273.18530	29.3
278.64243	2.6
291.19556	97.3
305.21109	22.6
323.22028	4.1
332.80127	2.7
368.31165	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.05517	26.5
56.96558	6.3
57.03429	8.1
63.65525	3.8
67.05507	29.9
69.03391	5.8
69.07054	17.6
71.36130	8.7
79.05506	23.3
81.07063	44.9
83.04965	5.3
83.08606	13.0
85.06539	4.9
91.05477	27.0
93.07050	42.6
94.07355	5.2
94.78046	3.8
95.04961	8.2
95.08624	24.1
97.06539	9.5
97.10165	12.7
99.08086	9.4
105.07026	31.2
107.08582	17.9
109.06513	8.0
109.10192	8.9
117.07013	19.5
119.08606	25.3
121.06531	5.1
121.10131	19.2
123.08060	12.4
123.58077	3.7
125.09630	7.8
128.06223	4.6
129.06909	6.3
130.07803	4.8
131.08575	54.7
133.10121	8.7
135.08040	7.6
135.11707	14.6
139.11127	8.8
143.08569	47.8
145.09241	4.2
145.10152	51.8
147.08060	6.1
147.11665	9.5
157.10123	15.7
159.11696	14.9
161.09633	6.7
169.10124	5.6
171.11674	11.6
172.94356	7.1
175.11226	6.4
181.10089	4.5
183.11707	13.0
190.95477	6.2
195.11665	15.1
201.12834	5.2
227.17998	7.1
232.96381	6.5
236.85501	4.2
237.16441	31.2
255.17464	24.6
259.70660	4.1
273.18484	50.8
277.21674	5.2
287.20071	15.6
288.29114	5.1
294.21423	27.3
305.21094	100.0
368.24854	18.9
368.31302	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68969	8.4
51.13047	8.4
52.88723	8.3
55.05505	22.9
62.06102	10.8
65.55645	8.7
67.05502	23.9
69.07044	16.5
70.61103	35.6
78.78256	11.2
81.07057	15.9
83.08617	13.4
91.05486	100.0
95.08627	26.3
105.07010	14.2
106.06516	11.4
108.08138	14.2
109.10149	16.7
112.11225	35.7
145.10066	12.1
203.16859	10.1
283.26181	12.1
312.32620	28.9
368.26965	35.4
368.35025	31.6
368.38889	41.6
368.42563	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	54.2
69.07078	25.8
69.78022	100.0
79.05498	41.7
81.07055	48.6
91.05441	29.1
93.07040	68.7
95.04265	17.4
95.04887	24.8
95.08583	31.4
104.99981	23.2
105.07031	59.7
106.07347	26.8
106.08694	44.2
109.10185	27.7
112.56790	24.2
117.07003	31.3
119.08560	51.0
120.08899	27.9
121.10166	40.9
131.08499	24.6
133.10117	31.6
133.62721	21.8
143.08528	24.1
145.10075	41.6
146.10339	23.1
157.10106	28.3
161.09543	29.2
183.11581	28.8
205.10617	24.1
368.26724	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.5
55.01870	3.9
55.05272	1.3
55.05515	17.6
56.96561	3.1
57.03436	4.4
58.06606	5.3
59.05013	1.1
60.04530	24.7
67.05510	16.6
69.03429	5.0
69.07070	16.2
70.06583	1.6
70.07384	1.7
70.29716	1.0
71.05008	6.4
72.04497	1.3
73.17538	1.0
79.05496	15.3
80.05043	1.8
81.03424	3.0
81.07059	17.5
82.07376	1.4
83.04971	3.8
83.08629	8.9
84.08145	8.7
85.02923	2.0
85.06546	2.9
85.15681	1.0
86.09712	26.0
88.07630	3.8
91.05492	8.4
93.07041	14.6
94.06516	1.5
95.04971	8.5
95.08604	7.3
96.08125	2.8
97.02922	1.7
97.06538	11.7
97.10168	16.5
98.97578	1.5
100.07631	3.0
105.07050	8.2
106.07363	1.6
107.04955	2.4
107.08611	12.2
108.08096	1.3
109.06515	5.3
109.10144	3.2
110.06053	1.4
111.08067	2.2
112.07613	27.3
113.06027	1.5
116.98634	1.2
117.07022	4.4
119.08586	5.7
121.06506	1.7
121.10167	6.9
122.09678	7.3
123.08083	4.2
125.09634	11.6
128.10724	27.6
129.07027	1.4
130.08658	2.1
131.08583	6.1
132.08087	2.1
133.10138	4.1
134.09610	1.3
135.08072	3.3
135.11705	2.9
136.11118	1.1
137.09584	1.3
138.12791	3.7
143.08525	1.2
145.06528	1.5
145.10153	4.7
146.09550	1.3
147.08069	2.2
147.11710	2.1
148.11221	2.2
149.09692	1.6
149.13223	2.9
154.08643	4.2
156.10292	5.2
157.10135	1.6
159.11746	2.9
161.09624	1.0
163.11169	1.7
172.09673	9.6
172.94403	1.2
177.12779	3.2
178.47124	1.1
180.13875	11.0
183.96568	1.1
187.11206	2.3
189.11217	10.1
195.13812	2.0
199.03981	1.2
217.15941	2.3
221.15321	1.8
222.15207	1.4
223.13385	5.2
232.96307	1.2
272.20059	1.5
273.18463	5.9
276.20419	4.4
290.21176	8.6
291.19540	11.6
308.22223	11.0
350.23343	20.1
368.24359	100.0
369.24622	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	368.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31152	3.1
55.05512	18.0
56.96575	3.7
57.03419	5.0
58.06611	20.6
60.04516	19.6
67.05502	23.2
68.05020	15.2
68.05820	3.8
69.03419	7.4
69.07074	18.6
71.04993	5.6
71.54883	4.5
79.05495	25.0
81.03414	4.9
81.07053	33.8
82.06571	6.3
82.07365	6.4
83.04981	4.4
83.08600	7.6
84.08134	9.5
86.09705	10.2
88.07607	6.7
90.03587	3.4
91.05470	12.0
93.07059	18.1
94.07374	4.7
95.04980	7.8
95.08589	13.4
96.08129	100.0
97.06525	24.0
97.08881	3.9
97.10155	4.0
98.47052	3.2
98.52229	3.2
98.97583	5.0
105.07014	13.3
106.07356	3.4
107.04962	4.7
107.08575	10.4
108.08942	3.8
109.06516	6.3
109.10133	12.0
110.06069	3.4
111.08097	3.8
112.07589	5.9
114.09158	14.6
117.06991	6.1
119.08581	12.4
121.06494	7.3
121.10137	9.3
123.08081	4.5
128.10748	8.4
129.06956	3.9
131.08711	4.3
133.10101	7.6
135.08041	9.0
135.11699	5.0
137.09656	5.0
138.09132	12.9
141.06918	3.5
145.10120	6.6
149.09604	6.3
149.13315	4.9
156.10205	27.0
159.11673	4.8
163.03957	4.2
174.25491	3.0
190.95514	4.2
232.96469	6.8
245.19087	5.3
270.17999	5.0
273.18481	30.5
276.20374	8.0
290.21075	5.7
291.19601	20.9
294.21280	3.7
308.22107	8.4
322.16507	7.0
350.23621	9.0
358.69864	3.4
368.20703	6.5
368.24518	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	368.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
53.37975	0.4
55.01874	6.5
55.02289	0.4
55.05510	1.5
56.96571	0.7
57.03190	0.6
57.03442	6.2
57.07071	0.4
60.04507	0.5
61.02933	6.2
67.05500	1.5
68.99791	2.9
69.03432	38.5
69.07063	1.1
70.06586	0.6
71.04996	5.5
71.08626	1.7
71.52821	0.6
73.02919	6.1
79.05479	1.0
81.03420	23.2
81.07055	1.4
83.01356	1.1
83.04969	1.2
83.08607	1.0
85.02908	100.0
86.03228	0.5
87.00832	43.2
87.04478	0.8
91.03958	1.4
91.05470	1.2
93.07040	0.9
95.08612	0.7
97.02898	31.8
97.06535	0.8
97.10210	0.6
98.06081	0.8
98.97612	0.5
99.00806	0.5
99.04456	13.0
99.08120	2.2
100.07590	0.7
101.02362	1.1
103.03954	1.2
105.01868	69.2
105.07012	1.6
107.04930	0.4
107.08613	0.9
108.04505	1.7
109.02885	26.6
109.10153	3.2
109.19595	0.4
111.04481	0.4
112.07595	0.4
115.03942	1.1
117.01864	2.6
119.08590	0.6
121.10182	0.5
123.46950	0.5
126.05522	1.4
127.03922	67.4
129.01828	2.8
131.08542	0.5
132.92433	0.4
133.10127	1.2
136.06183	1.3
145.04967	30.9
145.12254	4.9
147.02856	2.1
153.12796	0.6
159.02896	12.8
161.09612	0.9
163.11226	0.5
171.02904	0.8
171.13780	1.6
177.03938	1.1
177.05464	1.6
189.03996	2.7
189.14896	1.8
191.88564	0.4
211.13286	1.5
213.03903	3.1
223.09204	0.4
231.05011	20.2
248.07607	1.3
249.06093	7.2
308.22083	0.7
350.23294	0.7
368.20834	1.5
368.24442	1.8
369.19052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01880	7.0
55.05499	0.9
56.92957	0.8
56.96535	0.7
57.03440	4.6
61.02941	5.2
64.01804	0.8
67.05508	1.0
68.99780	2.2
69.03432	32.6
69.07072	1.2
69.12678	0.9
69.24030	7.3
71.05000	5.2
73.02926	6.6
81.03422	22.6
81.07067	1.4
83.01369	1.2
83.04981	0.7
85.02908	100.0
87.00832	47.1
91.03965	1.7
91.05460	0.9
93.07006	0.8
97.02888	32.0
99.04453	12.2
101.02400	0.9
105.01870	69.4
105.07006	1.5
108.04488	1.7
109.02884	23.9
109.10164	2.0
115.03912	1.9
117.01849	2.1
118.59763	0.7
123.86660	0.7
126.05565	0.9
127.03923	72.0
129.01854	2.6
145.04965	35.1
145.12259	3.9
145.53709	0.7
147.02887	2.2
159.02898	12.7
177.05428	0.8
189.03949	3.1
209.47844	0.8
211.13383	1.0
213.03984	2.5
229.31978	0.9
231.04980	22.1
248.07689	1.8
249.06067	7.4
269.96384	0.9
368.24585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
60.45375	0.2
61.02922	0.7
69.03430	2.0
69.24615	0.2
70.43535	0.5
70.43906	0.6
73.02911	0.3
81.03412	1.2
85.02434	0.4
85.02910	5.4
91.03938	0.3
97.02896	2.3
99.04472	0.3
106.67317	0.3
109.02951	0.3
127.03921	1.3
132.04451	6.1
145.04982	1.5
145.08467	0.3
146.06058	0.4
147.93410	0.2
160.03940	1.1
161.04536	0.3
171.14557	0.3
178.05002	55.7
179.05423	0.6
188.03549	0.3
188.07098	0.4
189.07422	0.5
205.09631	0.3
206.04494	100.0
207.04781	1.2
247.71199	0.3
277.56894	0.2
368.09702	0.6
394.17175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03931	1.4
55.01877	2.2
55.05519	12.6
56.05056	1.3
57.07067	4.1
67.05511	14.6
69.07077	18.8
70.59600	1.3
71.05002	2.4
71.08630	12.1
71.54041	1.9
72.08161	2.7
73.86604	1.4
75.80444	1.3
79.05499	7.9
81.03415	1.5
81.07072	23.0
83.04987	2.5
83.08623	8.1
83.80762	1.1
85.06541	3.0
91.05484	7.6
93.07046	14.8
95.04967	2.7
95.08616	19.6
97.06512	2.9
97.10188	2.2
97.62936	1.3
98.09684	4.0
99.08105	13.4
99.10029	2.5
105.07040	8.0
107.08607	11.7
109.06547	6.7
109.10143	11.4
111.04441	2.2
111.08070	4.4
113.05993	2.1
117.07018	2.5
119.08591	10.2
121.06559	1.4
121.10154	9.4
123.08091	23.5
123.11742	4.1
125.06004	2.7
129.12840	1.3
131.08591	2.4
133.10135	7.9
135.08069	5.0
135.11717	5.1
137.09604	2.7
137.13300	2.5
140.10742	1.4
145.10114	5.4
147.11687	4.5
149.09645	3.3
149.13274	5.4
153.12782	6.4
155.10809	1.7
157.10149	2.8
159.11713	2.6
161.13278	2.5
163.11174	1.6
163.14761	1.9
165.12819	2.4
171.11697	1.4
173.13246	2.1
175.14893	2.1
177.12820	1.9
177.16315	1.9
179.14319	31.1
191.14317	2.5
193.15869	2.7
205.15898	2.0
233.19081	1.7
251.20111	11.5
275.20187	2.2
276.20316	2.2
293.21127	11.0
293.28485	4.3
303.26837	12.6
321.27960	6.7
326.08652	1.3
331.22412	2.6
331.26343	46.8
349.27405	100.0
350.27863	2.0
367.27820	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	367.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.7
57.07076	7.5
66.36308	3.6
67.05510	24.1
69.03426	12.6
69.07086	26.2
69.28101	3.0
71.04984	4.7
71.08649	21.0
71.54410	4.4
71.54777	4.4
79.05513	18.2
81.03413	10.1
81.07063	42.4
82.34460	3.8
83.04996	6.3
83.08627	15.9
85.06549	4.4
91.05479	17.0
92.62958	3.2
93.07059	25.9
95.04973	13.9
95.08611	35.0
97.06529	7.6
97.10169	6.2
99.08089	20.6
105.07047	17.5
107.08610	15.7
109.02904	4.5
109.06529	33.0
109.10146	16.3
117.06994	4.6
119.08566	14.1
121.06529	7.5
121.10158	12.0
123.08092	5.5
123.11701	12.7
127.03942	9.8
131.08595	10.0
133.10136	13.4
135.08044	6.2
135.11670	10.2
137.13351	3.8
139.11154	4.4
145.10124	8.4
147.11722	5.7
149.09636	3.9
149.13235	6.5
159.11664	7.0
161.13251	7.6
161.19351	3.9
163.11270	4.4
165.12744	43.7
175.14783	3.9
177.12738	5.3
189.16434	4.1
207.11786	3.9
209.18997	12.8
246.08978	3.4
248.73335	3.7
259.78171	3.6
275.20038	4.9
289.22198	5.7
289.25174	20.3
293.21078	5.8
302.32629	4.0
307.26187	6.9
317.24796	100.0
331.22675	7.5
335.25851	26.6
349.23523	7.5
349.27393	67.0
367.24640	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	367.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.0
53.27484	3.7
55.05518	38.2
57.03407	4.3
57.07062	11.8
59.04991	7.2
65.03938	6.6
67.05506	61.8
69.03440	28.1
69.07071	33.3
70.59304	8.9
71.04997	9.9
75.63186	3.7
79.05498	42.5
79.63831	3.9
81.03406	22.5
81.06603	4.9
81.07065	76.8
83.04971	9.3
83.08629	21.7
85.06536	25.5
91.05482	65.3
93.07050	92.7
95.04971	28.9
95.08062	5.7
95.08615	65.0
97.02872	6.8
97.06525	12.4
97.10194	10.5
98.20798	4.0
99.04406	4.1
99.08073	6.0
101.57380	4.1
103.05474	3.8
105.07040	95.8
105.45798	3.8
107.04953	5.1
107.08594	62.9
109.06503	18.7
109.10165	53.5
111.04431	5.9
115.05443	5.7
117.07015	23.9
119.08585	100.0
121.06477	10.3
121.10143	58.7
123.08046	9.8
123.11685	16.4
127.03925	13.1
128.06242	9.9
129.06981	16.6
130.07828	7.0
131.08580	53.4
133.10126	54.2
135.08076	21.5
135.11703	28.2
137.09619	8.9
141.07036	5.7
142.07809	10.5
143.08559	33.9
144.09305	13.4
145.10132	58.9
147.08051	11.6
147.11668	27.3
149.09567	13.8
149.13170	7.8
155.08572	9.9
156.09296	10.6
157.10127	44.2
158.10995	6.3
159.08022	5.5
159.11690	29.9
161.09647	36.6
161.13260	9.5
167.08563	8.5
169.10132	18.8
170.10890	4.6
171.11751	31.6
173.09645	6.9
173.13271	21.7
175.11179	7.7
175.14803	17.5
179.08539	7.3
181.10135	9.1
182.10948	4.6
183.11716	23.2
185.13219	8.4
187.14803	13.2
189.12804	4.4
194.10872	6.2
195.11734	13.2
197.13243	10.0
199.11378	5.1
199.14828	11.9
201.16425	11.4
207.11716	5.0
209.13281	19.2
211.14815	6.1
221.13412	5.2
223.14835	7.7
223.20660	5.3
225.12798	4.6
227.14206	14.1
239.17905	5.3
275.20218	9.1
289.21442	4.5
303.23190	4.6
305.21320	6.3
331.22598	13.7
346.32449	4.0
349.24057	9.7
367.25046	27.4
367.29565	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	367.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01865	7.8
55.05511	36.7
55.47135	2.9
57.03434	6.6
57.07083	19.1
59.05003	5.1
60.95691	3.0
65.03922	6.6
67.05506	70.5
69.03434	47.7
69.07071	44.7
70.88403	5.9
71.04976	9.1
71.08651	3.7
79.05496	48.4
81.03436	29.3
81.06592	4.6
81.07063	82.3
83.04971	15.3
83.08611	22.8
85.06543	13.3
91.05481	68.7
93.07051	92.8
95.04981	44.8
95.08608	85.4
97.02897	6.4
97.06534	15.4
97.10172	10.9
99.04449	7.3
99.08091	4.8
100.11262	8.5
103.05444	4.7
105.07038	100.0
105.54851	2.9
107.04931	6.0
107.08599	62.0
109.02856	5.4
109.06541	21.6
109.10167	59.9
111.04436	9.0
111.08076	9.4
113.09570	2.7
114.12805	3.5
115.05437	6.7
117.07034	21.5
119.08590	98.4
121.06499	11.4
121.09340	4.2
121.10165	58.5
123.08057	10.2
123.11709	24.8
125.09636	5.7
127.03922	18.9
128.06226	12.0
129.05472	7.9
129.07039	19.2
130.07755	6.5
131.08575	54.2
133.06482	4.8
133.10132	66.6
135.08063	20.8
135.11713	30.3
137.09648	8.2
137.13251	4.7
140.10709	14.8
141.07004	6.4
141.11090	6.6
142.07779	18.4
143.08571	42.8
144.09329	11.4
145.09056	5.0
145.10133	64.8
146.07286	6.9
147.08006	12.4
147.11650	21.7
149.09630	19.6
149.13274	7.8
151.11165	4.6
155.08549	13.6
155.51848	3.2
156.09346	13.3
157.10135	56.6
158.10892	8.1
159.08067	5.8
159.11700	40.9
161.09648	50.5
161.13263	10.5
163.11205	9.9
165.06926	5.1
167.08557	4.5
169.10144	15.1
170.10907	5.3
171.11713	32.3
173.13271	30.8
175.11163	9.8
175.14832	24.8
177.12805	4.1
179.08528	8.2
181.10152	12.2
182.10898	5.3
183.11702	25.0
184.12556	3.7
185.09628	4.0
185.13293	16.7
187.14838	15.9
189.12750	5.0
191.14281	4.6
192.09319	3.8
194.10875	7.9
195.11694	11.0
196.12556	4.6
197.13271	15.8
199.14841	15.4
201.12747	7.5
201.16373	10.8
205.19421	6.7
207.11688	7.6
209.13252	22.8
211.14830	9.3
213.12802	4.6
213.16336	6.3
215.17934	7.4
221.13356	4.0
223.14995	4.4
223.20697	3.9
225.16501	6.7
227.14310	15.7
235.14784	4.6
237.16348	4.2
239.17970	8.8
249.16443	3.2
255.17380	5.6
257.19000	3.7
269.19037	4.6
275.20029	5.5
303.23151	5.8
308.22952	11.3
313.21561	5.8
325.25690	4.2
331.22729	14.2
349.24399	12.5
367.25528	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.7
55.01842	2.9
55.05514	21.5
57.07067	8.7
58.44984	3.1
64.29887	2.6
67.05508	25.9
69.03418	11.5
69.07075	28.8
69.73269	2.9
69.80323	3.2
69.80801	11.7
69.81197	6.6
70.68108	2.9
71.04981	9.2
78.60837	3.4
79.05499	32.1
81.07059	55.8
83.04979	7.0
83.08613	9.1
83.50506	2.9
85.06538	4.2
90.28575	2.9
91.05486	59.2
93.07049	68.8
94.37133	2.7
95.04980	37.5
95.08611	69.4
95.33517	2.6
97.06508	14.2
98.20811	4.1
103.05435	5.4
105.07037	85.2
107.04943	3.5
107.08610	60.4
109.06519	10.4
109.10176	40.5
111.08058	5.2
112.68266	2.6
115.05470	5.9
116.06229	6.2
117.07034	19.5
119.04948	3.3
119.08590	100.0
121.06522	7.5
121.10147	52.8
121.59886	3.0
123.08054	8.6
123.11711	15.1
128.06224	11.0
129.07027	21.3
130.07779	7.9
131.08586	55.3
133.06520	4.1
133.10135	63.6
135.08073	17.6
135.11682	19.1
137.09589	6.7
141.06946	6.6
142.07784	18.7
143.08566	45.8
144.09320	15.4
145.06406	3.4
145.10130	56.1
146.07237	7.9
146.10933	3.7
147.08061	10.0
147.11732	22.3
149.09612	17.6
149.13251	5.5
155.08546	13.9
156.09366	14.2
157.10135	52.9
158.10909	6.3
159.08086	5.9
159.11716	38.9
161.09612	45.2
161.13249	9.2
163.11169	6.8
165.07004	6.7
167.08589	5.1
168.09384	6.8
169.10135	19.4
170.10898	8.3
171.08067	3.1
171.11700	34.4
172.12483	5.8
173.09587	9.1
173.13292	25.2
175.11084	5.1
175.14835	18.9
179.08577	10.7
181.10117	10.8
182.10883	3.9
183.11688	27.1
184.12469	5.7
185.13266	22.1
187.11180	4.1
187.14825	16.0
189.16362	4.1
193.10106	3.4
194.10857	5.7
195.11723	13.3
196.12512	3.5
197.13219	19.9
199.14810	14.3
201.12753	7.4
201.16394	8.7
207.11720	4.8
209.13284	24.7
210.13979	5.3
211.14748	14.8
213.16380	5.4
215.14240	3.5
223.14734	4.4
225.16397	6.3
227.14290	22.5
239.17979	10.1
239.80563	3.5
253.19511	5.5
255.17436	9.1
257.19052	6.4
265.19479	8.4
267.17316	3.3
269.18878	7.0
275.17734	3.1
293.18961	3.7
331.23862	3.3
349.25226	9.2
367.26395	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88391	0.6
52.07599	0.6
53.03923	1.2
53.54309	0.6
55.01825	3.2
55.05467	19.0
55.05756	1.4
56.96538	1.3
57.03436	7.3
57.05352	0.5
57.07046	1.1
59.04983	1.0
61.32677	0.6
65.03893	1.0
67.05511	15.3
69.03385	2.7
69.07074	14.7
69.07422	0.9
69.62915	1.2
69.63323	2.8
71.04967	1.2
71.08638	35.1
71.09006	1.7
73.54805	0.6
75.52221	0.6
79.05499	13.2
79.05923	0.8
81.03431	8.5
81.07067	14.5
83.04989	4.2
83.08172	0.7
83.08622	6.0
85.06502	1.3
91.05483	7.7
93.07052	8.6
95.04977	5.2
95.08610	5.8
97.06488	2.1
97.10184	8.7
99.08099	28.1
100.07571	0.9
105.07055	5.8
107.04919	1.7
107.08609	8.9
108.05718	0.6
109.06468	2.3
109.10159	5.8
111.04406	1.4
111.08048	1.6
117.07012	3.1
119.08561	3.7
121.06445	2.6
121.10081	2.8
123.08031	2.3
123.11678	1.0
125.09644	7.7
131.08557	3.5
133.10083	2.8
135.07986	1.9
135.11665	2.2
139.11153	2.1
145.10045	2.3
147.11679	1.6
149.09613	0.9
149.13255	2.9
151.11133	1.3
153.09100	0.9
157.10048	0.8
159.11668	1.4
163.11240	1.0
164.12025	0.8
165.12704	0.8
167.10587	2.5
171.10158	1.3
173.11632	1.2
175.11124	0.7
177.12730	2.3
179.10641	1.0
189.11266	5.7
193.12242	1.8
195.13774	1.3
203.53143	0.8
205.19539	0.8
213.08102	0.7
247.20624	1.0
257.19049	0.8
265.84125	0.6
267.08768	0.6
269.10498	0.8
275.20071	10.1
293.21124	100.0
294.21722	1.5
350.26831	1.5
351.18512	0.6
367.24841	42.0
368.24908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01865	7.9
55.05513	45.8
56.96559	2.4
57.03439	17.4
57.07060	2.9
65.03908	2.3
67.05504	49.3
69.03427	5.6
69.07065	13.7
69.79252	6.2
71.04980	2.8
71.08630	52.2
79.05070	2.6
79.05492	32.1
81.03411	7.3
81.07060	37.6
81.88018	1.6
83.04982	6.3
83.08616	15.3
85.06524	1.9
89.44437	1.6
91.05483	18.2
93.07038	22.9
95.04949	10.6
95.08603	19.5
97.06510	4.0
97.10171	25.2
99.08093	42.7
105.07029	12.9
107.04951	7.9
107.08598	22.7
108.08894	1.5
109.06489	3.7
109.10154	10.6
111.08073	2.3
117.07021	8.0
119.08562	6.7
121.06506	5.2
121.10144	6.8
123.11706	2.4
125.09644	20.6
128.06212	1.6
129.06987	1.8
131.08553	4.3
133.06500	1.6
133.10133	9.8
135.08031	6.9
135.11685	4.6
137.09558	1.7
139.11177	6.3
142.07701	1.8
143.08582	2.6
145.06516	2.1
145.10150	5.6
147.11670	3.9
149.09653	3.8
149.13232	4.4
151.11160	4.2
157.10147	4.1
159.08134	1.5
159.11668	6.8
163.11227	2.4
165.12756	3.8
169.10135	2.3
171.10207	3.0
171.11673	1.8
173.13228	1.7
177.12735	4.9
181.10080	1.7
189.11237	15.8
191.14320	1.8
193.12233	2.9
197.13226	1.5
233.13179	1.7
247.20645	2.2
257.19009	2.3
267.15924	2.7
275.20029	23.9
293.21103	100.0
349.14606	2.6
349.23837	2.2
367.17352	3.2
367.24820	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	367.2481
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
50.41564	0.5
53.03912	1.7
55.01879	4.0
55.05516	21.4
55.05762	1.1
57.03445	5.2
57.07052	1.0
58.10335	0.5
59.04975	1.1
65.03917	0.8
67.05510	15.5
67.05847	0.7
69.03394	2.3
69.03727	0.5
69.07074	21.3
70.02967	2.2
71.04977	1.1
71.08636	25.9
79.05499	13.8
81.03431	3.7
81.07063	15.3
81.82574	0.6
83.04992	4.5
83.08623	6.3
85.02904	0.7
85.06580	0.5
88.27902	0.5
91.05482	6.6
93.07050	9.2
95.04977	4.5
95.08620	7.9
97.06495	1.8
97.10173	9.0
98.20838	0.8
99.08103	19.9
103.03893	0.6
105.07043	4.8
107.04922	2.2
107.08012	0.6
107.08600	7.0
109.06493	1.4
109.10159	5.8
111.08035	1.5
113.09666	0.6
117.06985	2.5
119.08543	2.5
121.06481	2.2
121.10143	3.4
123.08044	0.8
123.11671	1.1
125.09644	6.2
129.07010	0.6
131.08540	1.7
133.10124	3.1
135.08008	2.2
135.11665	2.0
139.11151	1.7
143.08563	0.9
143.36282	0.6
145.10068	1.6
147.11693	1.4
149.09602	1.4
149.13229	1.9
151.11166	1.3
153.12764	0.7
159.11760	1.4
163.11227	1.3
163.14751	0.6
164.11983	0.7
165.12723	1.3
167.10658	4.1
169.10074	0.6
171.10132	0.7
173.13199	0.7
175.11148	0.6
177.12762	2.3
179.14145	0.6
189.11244	4.1
195.13766	1.3
219.20906	0.6
227.12724	1.1
237.14619	0.6
247.20532	1.3
257.19052	1.1
265.21683	1.2
275.20065	8.9
290.47440	0.6
293.21130	100.0
294.21521	1.2
349.23843	0.9
367.24829	38.2
368.25290	0.9
381.88083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03942	5.8
55.01875	33.0
55.05513	30.4
56.96559	2.4
57.03429	13.3
62.03242	2.3
65.03934	2.9
67.05506	49.7
69.03418	6.2
69.07073	33.2
70.77550	4.8
70.77892	3.7
71.04984	4.5
75.37878	2.1
79.05500	56.8
81.03414	6.0
81.06594	4.1
81.07061	64.6
83.04977	10.5
83.08624	14.8
85.06556	3.6
91.05487	38.1
93.06499	3.5
93.07051	43.9
95.04973	12.0
95.08614	39.2
97.06544	42.6
97.10152	17.5
99.08143	3.7
105.07037	44.8
107.04977	18.4
107.08604	64.1
109.06506	7.1
109.10152	21.5
111.08091	5.8
117.07038	14.7
119.08590	35.5
121.06486	7.5
121.10143	18.5
123.08095	4.0
123.11705	7.2
125.09631	17.7
129.07030	6.2
131.08582	20.0
133.10147	33.8
135.08041	6.5
135.11682	12.0
137.09616	6.0
143.08560	4.8
145.10126	34.4
147.11690	20.8
149.08429	2.6
149.09627	40.6
149.13222	5.6
151.11189	3.4
157.10138	4.6
159.07986	2.7
159.11708	15.5
161.09648	4.0
161.13237	5.1
163.11160	20.4
167.10716	2.7
169.10071	2.7
171.10139	9.4
171.11696	6.5
173.11845	3.3
173.13260	9.8
177.12778	6.8
179.14346	2.9
183.11790	2.9
189.11241	14.1
207.13777	4.5
227.12727	8.1
229.19505	6.7
233.18936	3.9
239.17947	9.0
245.13745	5.7
247.20578	4.4
251.20146	5.5
253.18007	3.6
257.18994	19.4
265.21744	2.8
269.17468	5.0
275.20084	100.0
276.20367	3.2
293.21112	8.5
349.23773	69.7
367.17697	3.6
367.24847	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01883	13.9
55.05514	32.4
56.64181	1.1
56.96571	2.0
57.03444	20.3
57.07072	1.9
65.03941	5.7
67.05509	83.2
69.03434	6.5
69.07070	35.4
69.07419	2.7
69.26077	10.7
71.04995	4.5
73.02906	1.5
77.03912	1.6
79.05500	48.6
81.03422	5.4
81.07063	100.0
83.04986	11.1
83.08633	14.9
85.02920	2.6
85.06560	4.1
89.03893	1.5
91.05491	36.6
91.06028	2.9
93.07050	44.5
95.04978	10.5
95.08613	49.6
97.02876	2.1
97.06534	22.3
97.10183	10.4
98.21538	2.7
98.97562	3.3
99.04453	1.5
99.08110	3.2
103.05499	2.3
105.07038	42.1
107.04955	10.8
107.08607	31.5
109.06520	11.7
109.10165	24.5
111.04436	2.0
111.08079	7.8
116.98624	2.7
117.07050	12.7
119.08595	37.8
121.06523	5.1
121.10154	18.7
121.10953	2.5
123.08080	7.6
123.11725	8.8
125.09622	8.5
127.07572	1.6
129.05566	1.6
129.07018	4.0
130.07829	1.4
131.08560	18.2
133.06531	3.5
133.10133	25.6
135.08084	4.3
135.11723	6.9
137.05865	1.6
137.09616	6.6
138.36433	1.5
139.11211	2.4
141.06967	2.0
142.07780	2.0
143.08548	3.9
145.06480	1.9
145.10130	19.2
147.08054	2.5
147.11703	24.7
149.09651	14.5
149.13261	9.5
151.11234	3.3
152.59468	1.5
156.06580	3.7
157.10185	4.1
159.08125	2.5
159.11684	13.9
161.09573	2.0
161.13261	5.7
163.03943	2.4
163.11171	9.0
163.14903	1.5
165.12788	6.6
169.10138	2.9
171.10349	1.8
171.11702	4.6
173.11765	4.0
173.13309	5.7
175.11156	3.9
177.12759	6.3
179.08734	1.4
181.12271	2.0
182.15237	1.7
183.11736	2.3
187.11230	2.4
187.14787	1.9
189.11243	5.8
192.86526	1.6
193.12236	2.4
195.13861	2.9
197.13208	1.9
205.12254	1.6
207.13887	2.3
217.15871	1.7
229.19528	2.9
231.10910	1.7
239.17918	5.5
247.20651	4.0
257.18982	9.5
269.17471	4.2
275.20084	59.7
293.21155	6.2
337.17099	1.6
349.23798	19.0
367.08008	2.3
367.20892	87.8
367.24908	49.7
368.21008	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64502	1.9
53.03944	2.5
55.01876	17.6
55.05512	27.5
56.96553	3.4
57.03444	19.7
57.07063	3.2
59.04977	2.2
65.03926	3.0
66.02709	2.0
67.05508	65.5
69.03417	7.0
69.07069	31.6
69.95006	10.8
71.04983	8.0
71.08619	4.7
79.05496	54.6
81.03418	4.8
81.07056	100.0
83.04976	10.7
83.08615	13.3
85.06532	4.6
91.05482	39.3
93.07056	41.7
95.04961	10.9
95.08612	39.2
96.10978	2.1
97.06541	22.5
97.10156	8.9
98.97594	4.8
99.08083	6.3
102.53996	2.0
103.05457	2.2
105.07034	41.1
107.04954	11.3
107.08602	34.7
109.06503	9.8
109.10152	19.7
111.08059	5.4
117.07040	12.3
119.08591	26.8
121.06477	5.4
121.10140	23.3
123.08036	3.9
123.11696	9.6
125.09612	9.8
129.06947	4.4
131.00165	3.9
131.08562	18.6
133.10127	23.5
135.08028	6.7
135.11705	14.0
137.09610	5.2
143.08569	5.2
145.10138	18.1
147.11684	17.3
149.09607	19.0
149.13242	9.0
151.11163	4.1
155.08575	3.5
156.03607	3.2
157.10165	4.4
158.99699	2.7
159.11693	13.1
161.13255	5.7
163.11174	7.8
165.12794	4.2
171.11673	6.4
173.13200	5.7
175.11163	3.8
177.12749	3.3
179.14336	2.7
183.11676	3.6
187.11165	3.8
189.11221	9.3
193.12331	2.7
227.12823	5.1
229.19528	4.5
235.17026	2.8
239.17982	4.4
245.13808	2.2
247.20564	8.0
255.15913	2.4
257.19022	11.9
269.17419	4.7
271.43213	2.0
275.20071	67.5
285.63708	9.5
293.21140	14.3
349.23822	30.6
358.16376	6.0
366.66562	4.7
367.24948	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.0
55.01874	23.3
55.05516	36.4
56.96571	10.6
57.03439	19.1
57.07071	3.0
59.05016	2.4
61.02927	4.8
67.05511	71.1
69.03427	14.2
69.07072	37.4
71.04994	7.5
71.08629	2.8
71.53884	2.6
79.05500	66.8
81.03419	8.6
81.07063	100.0
82.09171	3.2
83.04987	13.3
83.08626	22.2
85.02898	9.8
85.06562	7.4
91.05487	54.4
92.05828	2.5
93.07050	53.5
95.04967	24.1
95.08618	48.1
97.02909	5.4
97.06535	33.5
97.10174	11.6
98.97591	3.8
99.08101	4.1
100.11217	2.7
105.07043	53.3
107.04976	17.9
107.08603	50.5
109.06559	13.1
109.10160	23.4
111.04482	3.8
111.08087	9.4
117.07045	16.4
118.06585	5.1
119.08583	40.7
121.06522	9.4
121.10144	24.1
123.08068	10.3
123.11710	9.2
125.09626	11.8
128.06267	2.9
129.07004	7.7
130.06519	3.3
130.07906	2.5
131.08580	26.7
133.06522	3.9
133.10144	34.6
135.08083	10.7
135.11705	15.5
137.09627	7.2
141.06992	3.4
142.07841	3.0
143.08554	6.7
145.06503	8.5
145.10150	30.3
146.06021	6.0
147.08130	3.6
147.11687	23.3
149.09628	33.1
149.13254	6.7
151.11189	7.6
155.08571	5.6
157.06465	4.2
157.10133	8.5
159.08127	4.0
159.11707	14.2
161.13330	6.8
163.03944	7.0
163.11241	13.9
165.12791	7.2
169.06529	2.5
169.10222	4.1
171.08014	3.4
171.11681	4.1
173.09566	4.3
173.11978	2.7
173.13312	10.6
175.11224	3.2
177.12773	5.8
179.14247	3.1
180.17505	11.9
181.12366	2.8
183.11682	5.3
188.07019	4.1
189.11221	5.5
193.12320	3.5
195.11850	4.3
195.13815	3.8
197.13335	2.9
207.09950	5.5
219.17648	3.4
224.55948	2.6
225.12721	4.3
227.12775	4.7
229.07565	3.5
229.19557	5.5
239.18024	6.7
245.05118	2.8
245.13683	4.2
247.20636	6.5
255.13911	2.7
257.19110	17.0
259.09607	3.8
267.08871	2.8
269.17422	3.7
273.14771	2.8
275.20065	86.8
276.20477	2.9
285.10141	6.4
285.17007	3.6
293.21066	7.4
325.18005	2.6
349.17056	2.9
349.23959	43.1
367.17764	5.4
367.23175	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1883
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
55.01873	1.2
55.05504	2.0
56.96568	20.4
56.98625	0.5
57.03425	1.6
67.05508	3.7
68.04068	0.5
69.03420	0.9
69.07066	2.0
69.87385	1.9
71.04987	0.6
71.95280	3.1
72.96044	1.2
79.05501	5.6
81.03418	0.7
81.07063	9.0
83.08618	1.0
84.96003	0.7
85.02906	0.7
91.03957	0.5
91.05482	2.6
93.07039	3.2
94.49409	0.5
94.55363	0.5
95.04953	1.0
95.08597	2.6
97.02792	0.4
97.06528	1.1
97.10213	0.6
97.25888	0.4
97.96815	1.4
98.97581	1.7
99.08158	0.5
105.07031	2.1
107.04905	0.5
107.08581	2.4
109.06499	0.6
109.10204	1.2
110.97553	3.9
111.08124	0.8
116.98615	0.6
119.01720	0.8
119.08578	1.7
121.06516	0.6
121.10151	1.3
123.01259	0.6
127.00699	0.9
128.98634	3.7
131.00171	0.6
131.01709	0.5
131.08574	1.2
133.10139	1.5
137.02711	0.9
141.02254	0.9
143.00198	0.6
145.10085	1.0
146.99614	1.1
147.11674	1.2
149.09602	0.7
149.13191	0.7
151.04254	0.6
153.02242	1.2
155.03799	1.4
157.10091	0.6
159.03267	0.9
159.11719	0.8
161.01254	0.9
163.11176	0.7
165.84023	0.5
167.03748	0.6
171.03252	1.6
171.11749	0.5
173.04889	1.2
181.05345	0.8
183.03232	1.0
185.04834	2.2
187.02783	0.7
187.06422	0.9
189.04285	0.9
191.05948	0.6
195.06931	1.1
197.04813	0.9
199.02791	0.6
199.06392	4.2
201.07925	1.1
203.05937	1.5
205.07521	1.3
211.06436	1.6
213.07979	8.4
217.07396	3.5
223.02856	0.6
223.08395	1.0
225.07941	3.8
229.07491	9.2
231.06998	0.9
231.09076	8.3
237.04410	1.0
237.07942	2.0
239.09583	3.2
241.07593	0.7
241.11131	4.0
242.08217	0.7
243.09096	3.6
247.08627	6.4
249.07956	0.6
251.09521	5.3
251.93777	0.6
252.09279	0.7
253.11111	1.0
255.09042	6.1
257.10583	2.1
257.19061	0.7
259.12186	4.1
260.09598	0.6
261.10120	1.1
267.09088	1.3
269.10608	23.9
269.17245	1.3
271.08548	0.5
271.12061	0.7
273.10150	3.3
275.20056	2.2
279.08984	2.0
280.09802	1.8
285.10110	1.0
287.11667	10.5
292.12134	2.6
297.10114	2.6
298.11008	1.3
307.15720	1.1
315.11093	1.4
321.88397	0.5
331.15753	9.2
331.19547	0.4
349.16873	13.9
367.17899	100.0
368.18222	2.1
372.18448	1.3
385.19022	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	367.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01862	1.0
55.05506	2.1
56.96568	22.9
57.03432	1.8
59.78656	0.7
61.02913	1.2
67.05515	5.3
69.07075	2.9
69.35172	2.9
69.35590	1.6
70.06595	0.8
71.95259	3.4
72.96057	1.3
74.97619	0.8
79.05502	5.8
81.03410	1.3
81.06595	0.9
81.07059	11.3
83.04968	0.6
83.08622	0.7
84.96040	1.2
85.02895	2.0
91.05483	3.6
93.07063	2.8
95.04955	1.6
95.08591	3.1
97.06539	1.9
97.96827	1.8
98.97585	1.4
99.08054	0.6
105.00142	1.4
105.07043	3.0
107.04961	0.9
107.08584	3.4
109.06514	1.0
109.10168	1.7
110.97589	4.2
112.99157	0.7
115.00711	1.1
116.98576	0.8
117.07020	1.5
119.01779	1.0
119.08572	2.4
121.10160	0.9
123.01201	0.6
123.11759	0.9
127.00736	0.7
128.98621	3.4
131.08545	1.7
133.03448	0.7
133.10123	2.1
135.11658	0.8
135.51547	0.6
137.02774	1.2
139.00650	0.6
141.02260	1.2
142.07722	0.5
143.00215	1.3
146.99657	1.7
147.11717	1.0
149.09595	1.7
149.13293	0.8
155.03781	0.9
155.44775	0.6
159.03276	0.7
159.11687	1.0
163.03883	0.9
163.11154	1.1
169.01782	0.9
171.03294	0.8
171.10205	0.6
173.04848	1.3
173.13322	0.8
183.03291	0.7
185.04869	2.9
185.13257	0.5
189.04362	0.9
193.05270	0.6
195.06966	1.4
198.02008	0.6
199.06398	4.7
201.07939	1.0
203.05907	1.9
205.07419	1.6
211.06430	1.4
213.07980	8.0
217.07536	4.4
223.02831	1.0
225.07927	3.7
229.07480	12.9
230.08022	0.6
231.09074	7.0
237.07973	1.9
239.09544	4.3
241.11093	4.5
243.09023	3.4
247.08566	6.5
251.09496	5.7
252.09119	0.7
253.11102	1.0
255.09052	7.2
257.10645	2.6
257.18866	0.8
259.12076	3.7
260.09192	0.8
261.07855	0.9
267.09073	2.0
269.10623	26.5
269.17377	1.0
273.10068	3.5
275.20142	3.0
279.09021	2.2
280.09769	1.4
285.10107	1.4
287.11697	9.3
292.12173	1.9
297.10168	2.7
298.10974	0.9
307.15933	1.1
313.14676	0.9
315.11145	1.2
331.15799	10.7
349.16888	14.7
349.23672	1.7
367.17911	100.0
368.18353	2.1
372.18335	1.1
385.19034	12.8
390.19455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01872	3.5
55.05511	46.8
55.81721	1.6
56.96563	6.2
57.03436	5.7
57.97633	1.4
61.02917	4.7
62.24046	1.6
67.05492	2.9
68.99819	2.0
69.03432	32.5
69.07066	2.6
69.75377	1.2
70.06596	7.0
70.67537	3.4
71.04987	5.6
72.08157	4.8
72.76642	1.3
73.02910	5.3
74.06085	1.7
74.10237	1.3
75.39973	1.4
75.94497	1.6
79.62103	1.5
81.03423	15.3
81.07061	9.8
83.04958	1.7
83.08620	100.0
84.04529	2.8
84.08134	4.6
84.96022	2.3
85.02908	65.0
86.09706	8.2
87.00833	28.7
89.03914	4.1
90.86377	1.5
91.03952	2.2
91.05495	3.1
93.07038	2.0
95.04948	2.9
97.02898	23.1
97.06544	2.6
98.97596	14.9
99.04446	8.3
99.08127	2.1
101.09659	69.8
105.01868	28.8
107.08580	1.8
109.02894	19.4
109.06555	2.2
109.10154	3.5
110.07179	1.7
110.97578	4.3
112.99133	3.0
116.98627	4.4
117.03370	5.8
119.10701	17.0
120.08132	3.9
121.08435	2.1
122.06020	3.7
123.04411	1.7
123.11721	1.6
127.03919	39.7
128.98608	2.6
129.10205	1.7
130.06592	1.8
131.00172	2.8
131.06879	2.8
132.04405	2.0
132.08093	1.6
133.10150	1.9
136.07539	2.3
137.05913	1.4
139.11162	1.5
145.02895	8.8
145.04984	10.9
146.06104	1.9
147.04413	2.5
149.05894	2.3
150.05530	2.6
151.11201	3.6
151.90637	1.6
157.12263	2.2
158.99660	3.3
159.02953	3.0
163.03896	1.7
169.12245	4.7
170.99670	2.7
176.07065	2.9
177.00700	1.6
177.05484	15.6
177.07272	2.6
178.04895	2.1
182.21564	1.5
187.13306	9.4
192.78088	1.4
193.05084	1.6
201.00760	1.7
203.57693	2.5
204.06523	9.0
204.56717	1.9
206.04486	3.5
213.04045	1.6
213.06888	1.9
219.01805	5.2
221.01270	1.9
231.02936	1.4
231.04971	7.7
237.02794	5.6
239.02354	5.4
257.03235	2.1
293.09076	3.5
365.05551	12.3
366.06018	2.7
367.05759	5.4
367.09915	4.1
367.14346	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	367.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07642	1.2
52.83649	1.3
53.03939	3.9
55.01857	4.2
55.05518	47.1
56.96558	4.1
57.03431	4.3
57.07045	1.9
61.02917	5.8
61.50168	1.3
65.29417	1.9
67.05509	2.9
69.03435	27.4
69.07058	4.6
70.06593	8.1
71.04988	4.1
71.53857	2.3
71.54546	1.5
72.08146	5.8
73.02914	4.6
79.05484	2.7
81.03427	11.9
81.07062	6.5
83.04953	2.9
83.08621	100.0
84.04483	3.4
84.08149	8.0
84.08942	1.4
85.02911	50.0
85.06525	1.5
85.53200	1.4
86.03247	1.5
86.09718	10.8
87.00839	21.6
91.05472	2.0
92.05725	1.4
93.07046	2.0
95.04977	2.0
97.02898	16.3
98.97590	5.3
99.04453	5.2
101.09663	71.3
102.05583	1.7
105.01204	3.0
105.01869	34.5
105.06998	3.8
107.04958	2.4
107.08596	3.6
109.02883	16.4
109.06474	2.7
109.10170	1.9
110.07169	1.9
116.07025	2.1
116.98624	2.6
117.06983	1.7
118.06532	3.7
119.08624	2.9
119.10710	16.1
120.04476	1.4
120.08080	2.8
123.11663	2.1
124.12080	1.4
127.03928	30.6
129.07108	1.4
129.10225	7.1
130.06506	5.8
131.06856	2.3
133.10153	2.0
135.04407	1.4
136.07628	3.0
137.06033	2.4
145.04948	10.3
146.05998	7.0
147.03127	1.6
147.04329	1.9
150.05544	2.4
151.11150	2.4
152.07111	1.7
158.06047	4.7
159.02864	3.1
159.04346	1.5
163.04001	2.6
164.07028	1.8
166.04956	5.5
169.12251	3.6
170.08144	2.1
174.09200	2.4
175.08636	4.4
176.07088	3.9
176.10728	2.5
177.07454	4.9
178.05023	1.9
180.08694	3.1
182.08157	4.7
187.13298	3.3
188.07085	8.8
193.05093	2.2
202.08617	4.6
204.10190	3.3
206.04536	2.6
220.09654	2.5
221.09280	4.3
231.05035	6.6
232.09641	2.0
242.10539	1.7
243.11324	2.2
289.11777	5.8
314.19977	1.5
331.12842	2.0
349.13898	7.8
361.42068	1.8
367.09900	21.1
367.14307	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	367.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08004	0.4
53.91892	0.3
56.05023	0.3
56.96547	0.7
69.03413	0.5
70.06576	0.6
71.04980	0.5
71.13136	0.4
71.13472	0.5
72.69481	0.3
81.03432	0.4
83.08631	0.4
84.04472	0.5
84.08158	0.4
85.02889	1.0
86.09704	0.9
97.02892	0.6
98.97564	0.6
110.07159	0.4
112.99107	0.8
116.98674	0.3
118.06495	0.4
120.08071	0.6
121.02888	1.8
127.03894	0.4
131.00165	0.6
138.68369	0.3
163.12300	0.4
175.49344	0.3
205.04768	0.4
206.04468	0.8
213.16983	0.3
254.11443	0.3
255.14059	0.3
347.80249	0.3
349.08331	0.5
362.64273	0.4
367.10001	100.0
368.10376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01865	4.9
57.03428	4.3
57.07088	2.7
60.04523	1.2
61.02932	6.0
64.38952	1.2
68.99787	2.7
69.03436	44.5
69.05428	1.3
70.06602	1.5
71.04990	3.1
71.06423	2.1
71.06777	2.0
73.02921	4.5
76.96657	1.2
79.49363	1.1
81.03422	18.7
81.07059	1.6
83.04977	1.1
84.79642	1.1
85.02911	100.0
86.09711	2.3
87.00836	60.9
87.05621	1.3
91.03951	1.4
91.05532	1.6
95.08611	1.6
97.02899	27.0
98.97605	1.5
99.04468	10.1
105.01875	76.4
109.02884	23.8
109.03603	1.7
109.78532	1.1
111.04484	1.5
119.10706	3.6
120.08125	3.4
121.06523	1.1
121.08445	3.5
127.03927	63.4
129.01822	3.5
136.63853	1.1
145.04982	18.9
153.05437	2.6
159.02943	4.6
159.08043	1.8
189.03922	3.3
207.11314	2.9
208.11632	4.3
213.03922	3.4
231.04997	12.6
249.06055	2.8
367.18326	1.8
367.23380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01876	1.1
55.05513	4.5
56.05038	3.1
56.96581	0.6
57.03442	1.7
57.07079	0.5
60.04531	100.0
62.47399	0.5
65.03967	0.5
67.05508	11.5
67.92197	0.5
68.05035	1.4
69.03437	1.6
69.07072	4.1
69.68469	1.7
69.68900	1.2
70.06576	2.5
71.05001	2.8
72.04524	2.6
72.08147	1.1
74.06089	2.2
79.05497	9.0
80.05023	2.2
81.03438	0.9
81.07064	14.6
82.06597	1.7
83.04977	1.3
83.08643	2.0
84.04520	0.7
84.08157	1.2
85.02918	4.0
85.06553	2.3
86.06062	0.6
86.09714	1.8
90.05568	1.2
91.05486	7.3
93.07047	10.1
94.06577	1.7
94.85525	0.5
95.04986	1.3
95.08614	11.2
96.08146	1.3
97.02916	0.8
97.06546	1.1
97.10197	0.9
98.06086	0.6
98.97617	2.4
99.08121	1.1
102.05563	1.7
105.07039	5.2
107.08609	6.4
109.02854	0.6
109.06551	1.0
109.10168	5.1
110.05997	0.5
111.08082	0.9
112.07592	1.0
116.06340	0.4
116.07068	2.3
116.98628	0.5
117.07048	1.5
118.06489	0.6
119.08611	4.0
120.08115	2.9
120.08887	0.5
121.06513	1.0
121.10149	6.4
122.02428	1.0
122.09674	0.5
123.08060	0.5
123.11703	1.7
125.09625	0.5
127.03930	0.7
129.05504	0.6
130.06532	1.8
131.08542	2.7
133.10158	4.3
135.11708	3.8
136.07571	1.6
139.07550	0.5
143.08586	1.1
145.10144	1.7
147.11717	3.0
147.16762	0.4
149.13258	1.1
151.11192	0.5
156.10280	0.6
157.10211	0.9
158.99654	1.0
159.11668	1.1
161.13287	1.7
163.14891	0.6
166.05000	0.8
166.92068	0.5
167.48297	0.5
169.12277	1.1
171.11722	0.6
173.13283	0.9
175.14870	0.8
176.07063	4.9
182.04521	0.5
183.04929	0.6
189.00874	0.5
195.07829	0.8
195.87880	0.5
196.06107	0.6
197.06415	1.5
201.00681	0.5
203.18082	0.5
204.06674	2.5
204.08299	0.5
207.11443	0.8
217.19643	1.1
237.02765	0.9
241.19507	0.7
246.22040	0.6
253.21649	0.9
258.22324	0.9
276.10297	0.6
276.23306	3.6
277.21600	0.6
294.24280	5.3
303.04916	3.7
312.25317	8.7
312.28882	0.6
330.26401	20.7
334.11261	0.7
348.27457	38.5
359.01163	0.7
366.28531	83.3
367.28937	1.5
377.01892	2.6
389.15274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01870	1.2
55.05512	3.2
56.05039	3.0
56.96574	0.9
57.03443	2.3
59.05004	1.1
60.04529	100.0
65.05745	0.6
67.05506	14.6
67.05843	1.2
68.05028	1.0
69.03440	0.7
69.07053	4.4
70.06601	3.6
70.86308	1.7
71.05002	1.6
72.04529	2.2
72.08159	4.8
74.06092	4.0
75.61818	0.6
79.05492	9.3
80.05018	2.1
81.03436	1.0
81.07060	17.2
81.07533	1.3
82.06598	1.7
83.04993	1.3
83.08633	2.3
83.60855	0.8
84.04527	0.9
84.08167	1.1
85.02914	1.2
85.06548	1.2
86.06081	0.8
86.09715	2.4
86.51855	0.6
88.07666	1.4
89.06119	0.7
91.05502	7.4
93.07044	11.0
93.25409	0.7
94.06574	0.9
94.58437	0.7
95.04988	1.8
95.08617	14.1
96.08131	1.4
97.06559	1.7
98.06092	1.1
98.97614	1.0
99.08130	1.2
101.07175	1.4
102.05556	1.5
105.07029	5.6
107.08588	6.6
108.08124	1.0
109.06525	1.5
109.10162	5.6
111.08116	1.1
113.09682	0.9
116.07126	2.4
117.07013	1.5
119.04990	0.9
119.08586	3.9
120.08115	5.0
121.06497	0.8
121.10139	6.3
123.11728	2.2
128.10748	1.4
130.06572	0.7
131.08571	2.6
133.10139	6.0
135.11720	2.8
136.07556	4.0
136.48633	0.8
137.13280	0.9
143.08578	0.8
145.10149	2.1
147.11748	4.2
149.13298	1.9
157.10135	1.1
159.11716	1.8
160.81569	0.8
161.13318	1.8
162.11290	0.7
166.08662	0.9
169.12297	1.8
171.11781	1.3
173.12886	5.1
175.11198	1.1
176.07141	1.2
177.16382	0.8
185.13405	1.0
201.12346	2.5
207.11382	0.9
217.19685	1.1
235.10735	1.1
253.21623	1.6
258.22189	0.8
269.59085	0.8
271.71283	0.7
276.23148	4.2
294.24326	6.4
312.25336	12.1
330.26398	24.2
348.27463	45.2
366.11572	1.1
366.28519	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
53.84278	1.9
55.01868	3.3
55.05508	7.4
57.07075	2.5
59.05006	20.0
59.75806	1.5
60.04532	18.2
65.00713	1.6
67.05503	7.7
69.03439	5.0
69.07056	3.9
70.08015	2.4
70.08408	4.8
71.05004	10.8
71.17605	1.8
72.08155	2.8
78.65263	1.8
79.05472	9.0
81.03422	2.4
81.07061	42.7
82.07325	1.7
83.08623	4.9
85.02909	12.7
85.06553	15.0
86.09710	6.0
87.04467	11.0
87.05605	5.8
87.71211	1.7
89.06029	2.4
91.05498	21.2
93.07050	81.8
95.04970	4.7
95.08589	6.4
97.02909	4.1
97.06525	2.6
105.07034	26.0
107.08607	13.9
109.02866	1.8
109.06519	5.7
109.10162	17.2
111.08086	78.1
120.08100	28.1
121.06509	20.7
121.10141	7.0
123.08047	2.7
123.11713	23.3
127.03889	3.8
132.10229	1.9
133.10133	36.4
136.06210	2.0
144.08093	3.9
145.21957	1.6
151.11192	54.8
155.31567	1.6
162.09157	5.5
169.12248	100.0
170.12497	2.0
187.13303	78.5
189.37967	1.8
207.11307	27.9
235.10869	8.8
246.09532	3.9
246.27060	1.8
306.11856	2.7
312.25217	2.4
322.20227	6.1
348.21796	3.3
348.27197	3.1
366.13712	5.8
366.23294	3.3
366.28494	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	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99939	0.9
53.03947	1.6
55.01860	1.8
55.04069	0.9
55.05512	5.7
56.05031	2.9
57.03440	9.2
57.07075	2.0
59.05004	2.4
60.04530	72.5
60.53678	1.0
67.05508	11.7
68.05022	1.8
69.03437	6.1
69.07067	10.2
70.06584	4.0
70.83113	0.9
71.03342	1.5
71.03671	1.2
71.04984	10.7
72.04510	1.6
72.08148	3.6
74.06095	1.5
79.05498	17.4
80.05006	1.4
80.73190	0.9
81.03409	3.0
81.07059	73.9
82.06596	1.9
82.07371	0.9
83.04987	7.2
83.08615	4.7
84.04517	1.4
84.08153	3.5
85.02904	6.3
85.06555	6.0
86.09695	4.0
91.05484	14.9
92.05817	2.2
93.07047	11.6
94.06549	1.2
95.04974	6.4
95.08619	11.5
96.08139	1.9
97.02874	2.6
97.06539	3.1
97.10180	6.5
98.06060	1.6
98.97585	3.3
99.04459	1.0
102.05561	1.4
105.07029	7.7
106.07370	1.6
107.04946	2.6
107.08604	10.9
108.08880	1.2
109.06501	2.7
109.10162	8.0
110.07184	1.1
111.08099	2.3
112.07664	1.0
112.99154	1.0
113.06011	27.2
116.07098	2.4
116.98644	1.1
117.07024	2.7
119.04932	1.0
119.08574	4.5
120.08123	5.3
120.08862	1.1
121.06499	1.5
121.10150	5.7
123.04468	1.6
123.08054	1.9
123.11738	5.9
124.07581	1.0
125.06034	1.2
125.09634	18.6
127.03965	1.3
129.10220	1.2
130.06541	4.2
131.08540	2.7
132.04439	1.0
133.06396	1.0
133.10117	6.1
135.04401	1.2
135.11684	3.0
139.11215	2.5
143.10681	43.2
145.10170	1.6
147.04443	2.6
147.08012	1.4
147.11703	2.8
148.07576	1.3
151.11205	9.4
159.08049	1.4
159.11642	1.1
162.07715	1.1
169.12247	100.0
170.12506	1.3
176.07083	4.2
178.13188	1.7
187.13293	11.5
193.04971	5.1
203.03203	4.0
204.03519	6.7
221.15533	1.1
244.14081	1.7
254.21281	1.3
257.07065	1.0
262.15265	3.3
272.22147	1.2
276.23193	2.3
294.24265	2.7
312.25317	6.3
330.26443	10.6
348.14651	1.0
348.27469	31.7
355.72064	1.0
366.08752	3.5
366.15738	2.1
366.28525	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.0
55.52892	0.7
57.01526	0.6
60.04527	28.1
67.05522	0.8
69.02423	0.6
69.07059	1.0
70.02946	1.8
70.06603	0.7
70.32408	2.5
72.04514	1.1
79.05496	0.8
79.90180	0.6
81.03414	0.7
81.07054	1.1
83.04959	0.8
84.08129	0.8
85.02897	1.7
86.09710	82.0
87.05598	17.4
91.05497	1.4
93.07042	1.9
94.57804	0.6
95.08615	0.7
103.05477	5.1
105.07108	0.8
107.05007	0.7
109.06569	0.8
109.10161	2.4
110.09708	0.8
120.08110	92.8
121.06529	1.5
123.11732	2.1
125.45543	0.7
127.11205	2.5
128.10724	10.6
130.06487	0.9
131.08653	0.7
132.10219	7.5
136.06210	0.9
144.08101	1.9
149.05917	0.7
159.09189	1.1
162.09148	5.2
166.08659	15.8
169.12199	1.0
173.12865	100.0
187.13269	1.0
201.12346	33.4
207.11310	19.9
214.33745	0.7
217.09782	1.0
219.11461	1.1
219.13422	11.8
235.08582	1.1
235.10783	15.0
279.17050	2.8
292.18982	1.9
348.18814	1.5
361.02225	5.2
366.22754	3.4
379.03192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01865	1.5
55.05514	5.9
56.05034	2.2
57.03432	2.3
57.07072	2.2
59.04990	1.1
60.04529	56.8
61.02910	0.9
65.03900	0.8
67.05508	10.9
68.05003	1.2
69.03423	3.3
69.07059	6.7
70.06591	9.0
71.04982	7.9
72.04959	0.8
72.08153	5.0
74.06086	4.7
79.05495	18.0
79.64256	1.0
80.05011	1.3
81.03417	1.2
81.07058	87.8
81.98661	0.9
82.06586	1.9
83.04990	6.9
83.08618	8.2
84.04472	2.1
84.08133	4.3
85.02899	7.1
85.06528	3.6
86.06049	1.2
86.09708	8.4
87.04455	1.1
90.69951	0.9
91.05486	6.0
93.07037	6.6
93.07543	1.2
94.06535	1.3
95.04953	3.8
95.08603	9.6
97.02895	2.4
97.06525	2.3
97.10165	2.2
98.20801	2.4
98.97577	2.3
102.05522	1.2
103.05459	1.4
104.07107	1.5
105.07035	4.8
106.08098	0.9
107.08597	7.0
108.02732	1.1
108.09049	1.0
109.06533	1.6
109.10155	8.3
110.06056	1.2
110.07143	1.4
111.08064	4.4
113.06011	4.7
116.07044	1.8
117.07005	1.6
118.08632	1.0
118.12155	1.1
119.08586	3.2
120.08115	7.8
121.06482	2.0
121.10122	3.7
123.08064	1.9
123.11726	8.8
125.09619	3.5
127.03923	2.3
127.11181	1.9
131.08504	1.7
133.10127	6.1
135.11736	2.4
136.07571	2.7
139.11153	1.6
140.88800	1.0
143.10693	10.4
145.10120	1.8
146.03439	0.9
147.04428	2.4
147.11674	1.9
151.11198	11.6
157.08612	1.5
161.13257	1.4
166.08675	1.3
169.12244	100.0
173.13057	1.0
175.09676	5.2
176.07074	1.4
176.10748	1.9
177.16388	1.0
186.07709	1.5
187.13295	13.9
193.04968	3.9
221.12823	2.7
225.62207	0.9
249.12383	1.8
253.21533	1.0
255.80779	1.2
276.23108	1.3
289.11902	1.4
294.24301	2.6
312.25336	8.0
313.12833	1.4
330.26373	15.1
331.13739	3.5
348.27460	28.2
349.14359	1.5
366.14203	1.8
366.22983	1.9
366.28482	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	366.177
Annotation	isopentenyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
53.03955	0.3
55.01879	0.8
57.03434	0.6
60.04539	2.1
60.74420	0.4
61.02914	0.9
69.03437	4.0
69.07069	5.7
69.36901	2.8
71.04982	0.7
73.02916	1.1
74.08932	0.3
81.03432	2.0
85.02908	7.5
86.09710	2.9
87.00826	2.7
87.05566	0.6
91.05475	0.6
93.07040	0.5
95.05665	0.4
97.02901	3.4
99.04444	0.8
105.01865	4.9
109.02885	1.6
119.03522	0.8
120.08125	1.8
121.06507	1.2
127.03924	3.7
128.10732	0.4
136.06194	100.0
137.04585	0.5
145.04961	2.3
148.06189	17.3
162.90689	0.3
166.07372	0.3
173.12837	3.9
176.06978	0.5
178.07204	0.7
186.61136	0.3
201.12413	1.1
204.12462	57.4
205.12784	0.7
207.11246	0.9
231.05023	1.6
249.05971	0.4
298.11261	0.5
303.05035	0.3
348.21677	0.7
351.38791	0.4
366.17740	47.3
366.27985	1.3
367.17938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60959	1.7
53.03939	4.3
55.01870	4.6
55.05510	5.5
56.96562	2.5
57.03439	5.7
67.05499	2.7
69.03432	57.3
69.07098	2.6
71.04990	12.4
72.08158	1.9
73.02908	2.4
79.05499	2.9
81.03421	37.1
81.07045	3.2
82.96886	1.8
83.01328	2.3
83.04975	2.8
83.08619	6.0
85.02905	60.8
86.09690	7.9
87.00832	30.9
87.04451	4.1
91.05487	5.5
93.07043	7.0
95.04972	2.6
97.02895	78.4
97.06521	2.6
99.04452	29.0
104.05895	2.1
105.01874	26.3
105.07034	5.0
107.08598	5.0
109.02874	12.2
115.03925	2.7
120.08092	6.5
120.08885	2.8
121.06506	10.7
127.02979	4.8
127.03922	100.0
135.11679	2.9
136.06194	7.1
136.07542	2.1
145.04965	80.9
147.04413	2.8
151.07559	2.8
163.11116	2.2
169.12132	3.0
171.02881	3.6
173.12865	4.8
177.05435	2.2
186.07526	4.6
211.02580	2.2
213.03951	3.7
222.07782	1.9
231.05022	62.8
249.06071	31.3
262.15414	2.4
348.21704	5.2
361.02304	8.4
366.20316	2.6
367.23199	3.0
374.42139	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.7
55.01876	8.4
55.05514	2.9
57.03440	6.5
60.04538	0.8
61.02929	6.4
61.62488	0.6
68.99788	2.7
69.03435	33.9
70.68562	1.0
70.68908	1.4
71.04994	5.7
72.66781	0.6
73.02921	6.2
80.05064	0.7
81.03426	24.8
81.07066	1.6
83.04974	1.1
83.08626	2.3
85.02910	100.0
87.00835	45.8
87.04464	1.1
91.03962	2.4
93.07069	1.4
94.50312	0.7
95.04964	0.8
95.08636	0.7
97.02898	31.5
99.04466	13.4
101.02402	1.0
103.03951	1.4
105.01871	69.1
107.08603	1.6
108.04492	2.8
109.02886	25.5
111.08087	2.1
113.09710	0.8
115.03985	1.1
117.01873	2.6
123.08115	0.8
126.05521	1.4
127.03926	67.7
129.01874	4.3
135.08069	0.8
139.07513	0.9
141.09128	2.1
145.04967	35.9
147.02887	3.3
151.07579	1.5
159.02901	14.7
159.04117	1.1
171.02948	1.1
177.03877	1.3
189.03995	4.1
191.10716	1.3
209.11708	3.8
213.03983	2.1
230.06607	0.9
231.05008	20.5
231.07246	1.1
248.07709	1.2
249.06087	6.4
260.15701	0.7
269.13846	1.3
283.30310	0.7
295.11786	5.9
313.12827	1.8
331.13876	1.0
361.02191	0.7
366.17621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10126	0.6
58.73933	0.6
70.35281	2.0
100.89383	0.7
119.01902	2.0
121.44521	0.6
158.92052	0.7
159.54308	0.7
177.00977	6.5
184.66714	0.7
198.97911	1.1
201.00952	0.9
216.98976	4.5
219.02016	8.9
221.01877	0.8
222.97916	1.1
225.01024	1.3
234.99985	7.3
240.98936	10.9
243.02118	1.8
253.01054	1.3
259.00018	32.0
260.00095	1.9
261.03073	24.7
264.99106	2.9
266.12332	0.7
273.98730	1.0
277.01059	14.8
278.01028	1.0
282.01669	0.8
283.00000	77.8
284.00183	3.3
285.00052	1.2
301.01059	100.0
302.01120	3.8
319.02246	3.8
324.02719	2.1
325.01022	13.0
343.02109	66.7
344.02286	2.3
361.03162	15.0
362.03448	0.8
366.03738	1.9
385.02942	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01884	7.5
55.05515	26.8
57.03428	5.7
61.02930	6.4
68.99802	3.2
69.03091	2.7
69.03436	39.9
70.78607	3.7
71.04996	5.0
73.02917	7.8
79.05464	1.5
81.03425	24.8
83.08627	18.6
84.08144	1.7
85.02911	100.0
87.00841	49.7
91.03951	2.6
91.05455	1.6
91.59935	1.4
93.07077	2.4
95.08622	2.0
97.02901	41.2
99.04463	12.2
105.01875	97.6
108.04524	2.8
109.02895	33.3
115.03974	2.3
117.01852	2.5
122.67286	1.6
123.08112	1.8
127.03925	84.5
129.01866	2.9
135.08101	1.7
136.06194	4.2
145.04974	50.2
147.02922	2.6
159.02910	14.7
163.80154	2.0
189.03967	3.7
191.10645	1.8
209.11691	2.2
213.03964	3.3
231.05019	31.3
249.06023	15.0
366.22391	5.7
367.22037	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	365.2688
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
50.70425	0.4
54.08826	0.3
55.05509	2.5
55.40979	0.4
56.96570	0.4
57.07078	5.1
59.41631	0.4
67.05507	3.4
69.03417	0.7
69.06793	0.4
69.07074	4.3
70.92429	1.0
71.08622	0.8
79.05510	2.1
81.07065	4.5
83.04986	1.1
83.08604	1.1
85.06538	4.3
91.05486	1.7
91.11967	0.4
93.07053	4.3
93.41740	0.4
95.04971	1.2
95.08617	3.9
97.06523	1.7
99.08069	0.5
105.07069	2.1
105.23779	0.4
107.08604	3.7
109.06516	3.2
109.10144	1.5
111.03763	0.5
111.04439	2.6
111.08125	1.0
111.11699	0.4
117.06971	0.5
119.08533	2.0
121.06484	0.6
121.10138	2.2
123.08069	4.9
124.08801	1.0
125.05985	1.8
131.08569	1.1
133.10127	1.9
135.08049	2.4
135.11684	1.8
136.93150	0.5
137.05986	1.6
137.09605	0.8
143.08533	1.1
145.10173	1.9
147.11687	1.4
149.09613	0.8
151.07562	2.9
151.11252	0.6
152.08351	2.3
153.12767	0.6
155.08620	0.4
157.10103	0.9
161.09612	0.8
163.11247	1.0
165.09111	11.6
165.10500	0.6
165.12819	0.7
166.09868	0.8
171.11644	0.6
175.11226	0.6
177.09138	0.7
177.12704	0.5
179.10709	1.8
179.14398	0.5
181.10300	0.6
181.12270	0.7
185.13269	0.5
193.12256	1.2
195.11827	0.7
195.13737	0.6
198.43735	0.5
207.13832	0.4
208.14563	1.3
209.13301	0.5
221.15378	2.1
221.18956	0.4
235.16908	0.7
249.18518	0.7
263.20078	3.7
280.86069	0.4
291.19724	0.7
298.08847	0.4
305.24783	10.2
319.26331	5.6
337.27527	1.0
347.25833	48.3
348.26096	0.7
364.96967	0.5
365.21329	3.3
365.26907	100.0
366.27112	2.3
378.66110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05510	1.0
57.07084	5.5
60.30186	0.3
67.05505	1.8
68.83852	0.3
69.07069	1.1
70.12562	0.7
70.12952	0.4
72.40069	0.2
79.05504	0.9
81.07062	2.4
83.04996	0.4
83.08620	0.5
85.06545	2.5
91.05482	1.6
93.07043	1.7
95.04984	1.3
95.08627	1.9
97.06510	0.3
105.07049	1.8
107.08601	1.6
109.06538	2.2
109.10159	0.7
119.08581	1.6
121.10192	0.6
123.08060	3.2
123.11736	0.3
124.08878	1.4
125.05997	0.3
128.06210	0.4
129.06995	0.4
130.07869	0.3
131.08594	1.1
133.10143	1.1
135.08069	1.6
135.11754	0.4
137.05977	1.0
137.09651	0.4
139.07594	0.5
141.07002	0.4
142.07797	0.9
143.08586	1.3
144.09378	0.4
145.10155	1.2
147.11685	0.6
151.07584	3.3
151.11221	0.3
152.08340	6.3
155.08496	0.3
156.09335	0.3
157.10188	1.8
159.11754	0.9
161.09630	0.9
165.09131	7.8
166.09906	0.7
169.10176	0.6
170.10922	0.4
171.11716	1.0
173.09662	0.3
173.13290	0.4
175.11147	0.5
177.12772	0.6
179.09206	0.4
179.10666	2.5
181.12326	0.5
182.10970	0.3
183.11784	0.6
185.13266	1.6
187.14862	0.5
193.10205	0.4
194.13072	3.4
195.11754	0.8
195.13771	0.3
196.12584	0.3
197.13264	0.8
201.12927	0.4
207.11903	0.6
207.13898	1.1
208.12523	0.4
209.13371	0.4
213.12827	0.4
223.14864	0.6
235.14864	0.4
235.17003	0.9
237.16277	0.3
249.16331	0.5
249.18608	0.9
263.20151	3.7
265.19836	0.4
279.19824	0.3
319.26392	0.8
337.27518	0.5
341.23700	0.3
347.25925	17.8
365.26953	100.0
366.27280	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.05506	8.4
57.03436	1.7
57.07077	1.8
59.05002	3.9
59.72400	1.7
65.00575	1.5
65.03942	3.3
67.05505	19.8
69.03432	4.5
69.07072	7.9
70.54675	4.3
79.05507	13.5
81.07065	15.1
83.04984	3.1
83.08617	4.0
85.06551	3.0
91.05487	19.3
93.07056	25.7
95.04974	34.3
95.08612	22.6
97.06526	4.1
97.10153	2.5
105.07043	32.5
107.08595	20.4
109.06534	4.8
109.10170	12.3
117.07032	8.3
119.08588	38.3
121.06522	4.1
121.10130	7.9
123.08058	7.0
128.06241	7.3
129.07050	11.4
130.07806	2.2
131.08580	18.1
133.10132	15.8
135.08055	9.9
135.11737	5.6
137.09689	2.6
141.07013	4.1
142.07797	14.0
143.08577	30.8
144.09381	4.5
145.10139	30.2
147.08070	5.2
147.11732	5.3
149.09557	2.4
153.06978	2.9
154.07762	2.4
155.08565	10.8
156.09381	13.9
157.10144	42.6
157.11339	3.6
158.10947	2.8
159.08099	2.8
159.11710	21.4
161.09633	7.3
161.13315	4.5
165.07076	5.4
166.07823	2.0
167.08618	4.9
169.10172	15.9
170.10941	8.5
171.11697	21.3
172.12558	5.5
173.09657	7.1
173.13318	8.2
175.11154	3.5
177.12718	2.6
179.06693	2.0
179.08565	6.6
180.09399	3.6
181.10147	11.4
182.10927	7.7
183.08133	2.0
183.11693	19.4
184.12457	3.3
185.09749	2.8
185.13290	42.9
187.11256	11.9
187.14815	9.9
189.12776	2.4
192.09393	2.6
193.10181	14.1
194.10956	6.8
195.11687	20.2
196.12534	5.8
197.13275	15.9
199.14894	6.6
201.12868	3.1
203.14328	4.9
205.10228	2.9
205.15916	4.9
206.10986	6.4
207.11777	8.5
208.12537	8.8
209.13263	14.1
210.14157	2.5
211.11183	3.8
211.14877	8.6
213.12837	6.7
213.16351	3.7
219.11755	4.4
220.12527	3.4
221.13245	13.9
222.14038	5.2
223.14873	11.6
224.15659	4.3
225.12846	4.9
225.16460	2.5
227.14430	3.6
232.12476	2.6
233.13274	5.4
234.14070	3.7
235.14905	6.8
236.15562	3.4
237.12627	2.7
237.16399	10.1
238.17297	2.7
239.14442	4.4
239.18039	2.8
241.15982	3.1
243.11615	2.6
247.14870	7.8
248.15596	2.2
249.12718	2.2
249.16452	7.9
250.17253	2.4
251.17944	8.7
253.15958	3.2
255.17548	4.1
260.32831	2.1
261.16428	3.5
263.14630	1.7
263.18008	7.5
264.18695	3.4
265.15927	4.4
265.19583	5.6
267.17560	5.7
269.19043	4.6
273.16324	3.1
277.16019	3.0
277.19446	3.1
281.19150	4.3
282.19818	2.8
289.19571	4.9
291.17563	6.9
299.17920	3.7
305.18982	3.6
319.24127	2.8
326.15997	1.9
329.22491	3.3
337.25522	2.7
347.23657	36.9
365.24817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03935	3.3
55.01871	6.1
55.05511	28.5
57.03438	12.4
67.05508	29.5
67.52259	1.3
69.03099	1.0
69.03436	15.8
69.07071	38.0
71.04971	2.2
71.24034	1.3
77.27174	0.9
79.05495	31.4
81.03416	7.7
81.06598	1.3
81.07059	23.7
83.04996	5.5
83.08620	11.4
85.06541	1.3
91.05486	13.3
92.47332	1.0
93.06487	1.6
93.07045	19.7
95.04442	1.1
95.04967	6.5
95.08615	11.0
97.02892	16.7
97.06552	5.0
97.10173	18.1
105.07037	10.8
107.04955	6.4
107.08608	15.9
109.06512	2.1
109.10182	10.0
111.08128	2.5
115.05467	1.2
117.07012	5.1
119.06034	1.5
119.08596	12.7
121.06511	2.6
121.10131	5.3
123.08070	4.6
125.09636	14.5
129.07043	3.4
131.08592	6.9
133.06433	2.0
133.10135	4.9
134.45584	1.3
135.08112	5.2
135.11716	2.0
137.06017	1.6
137.09612	3.5
143.08559	1.4
145.10146	4.8
146.20903	1.1
147.08028	4.6
147.11697	3.1
149.09612	1.7
149.13225	2.0
153.09081	2.0
155.08463	1.1
157.10170	3.2
159.11687	2.9
161.09572	2.9
163.11259	1.4
165.09106	1.9
171.10162	2.5
171.11577	1.5
175.11208	1.5
177.12738	1.8
179.22711	1.0
189.11235	9.9
189.12767	1.5
195.13797	1.6
205.12273	3.5
221.15422	1.2
223.13300	35.8
227.12839	1.9
244.96178	1.1
245.18985	1.5
249.15181	1.1
263.20099	2.0
273.15778	1.7
273.18506	14.6
291.19553	100.0
292.19861	1.4
347.22287	1.7
365.23209	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
53.72342	2.8
55.01865	12.5
55.05519	52.4
56.96573	38.5
57.03442	27.4
57.07066	3.4
61.02927	8.0
65.03940	4.2
67.05509	66.1
69.03423	12.9
69.07072	40.4
71.04984	5.0
71.53686	5.6
73.02916	6.1
78.03793	3.5
79.05499	59.2
81.03425	15.3
81.07064	84.0
83.04996	14.4
83.08613	20.5
85.02914	14.5
85.06564	3.9
91.03972	4.6
91.05482	100.0
93.07054	72.5
95.04973	20.7
95.08606	46.7
97.02901	12.4
97.06542	13.2
97.10179	14.4
98.97600	6.4
99.08080	4.7
103.05456	5.4
105.07038	69.8
106.08315	4.0
107.04949	14.7
107.08597	36.6
109.06531	20.3
109.10156	15.1
111.08112	6.9
115.05448	8.7
116.06207	6.9
117.07036	42.5
119.04959	4.3
119.08600	47.4
121.06511	14.4
121.10162	20.2
123.08070	16.1
125.09641	12.4
128.06204	17.5
128.98660	3.7
129.07011	30.1
130.07796	8.8
131.08578	90.9
133.06508	8.3
133.10138	31.4
135.08064	14.6
135.11676	12.7
137.09554	5.8
139.11157	6.4
141.07010	10.0
142.07796	5.9
143.08578	77.5
143.09715	5.0
145.06494	3.8
145.10132	84.2
146.10524	4.5
147.08072	16.1
147.11699	12.9
149.09650	8.1
155.08574	6.5
157.10120	27.3
158.47685	3.7
159.08083	7.1
159.11697	23.9
161.09628	20.2
161.13277	5.3
163.11157	8.0
169.10150	14.7
171.03384	7.3
171.11684	19.7
173.13280	5.6
175.11232	11.6
177.12822	5.6
181.10146	6.8
183.03352	3.9
183.11745	7.3
185.13228	6.8
187.11212	4.1
189.11333	3.9
193.12346	4.9
195.11742	22.5
196.79146	4.0
199.06479	6.3
199.11133	3.9
203.05815	4.4
213.12781	5.2
217.15794	4.9
222.16650	3.5
227.06023	4.2
227.18018	9.8
229.07524	9.2
231.09035	5.5
237.16389	25.1
243.09012	5.1
245.19096	7.3
247.08559	4.7
253.11044	8.5
255.08998	8.9
255.17453	24.9
267.08710	17.7
269.12408	14.7
271.12186	6.8
273.10199	8.8
273.18524	62.7
283.08670	7.8
284.13565	4.4
285.10022	32.7
291.19339	17.5
297.10004	8.6
321.16629	4.6
324.03046	3.9
325.55029	4.1
329.14426	6.2
347.15277	20.5
347.22162	37.2
365.11380	7.8
365.16016	22.0
365.19348	52.1
365.23398	26.5
383.17416	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16727	1.3
53.03933	5.6
53.83521	1.2
54.69717	1.2
55.01879	10.1
55.05268	2.1
55.05515	28.4
56.96568	6.7
57.03440	18.1
57.07072	2.6
60.22916	1.2
61.02924	3.0
62.18598	1.2
65.03942	2.8
67.05507	57.9
68.99800	1.4
69.03447	7.3
69.07072	32.4
70.06587	1.4
71.04993	6.1
71.08646	1.5
71.53938	2.2
73.02908	3.3
79.05495	44.0
81.03416	11.2
81.07058	61.3
83.04977	12.0
83.08615	13.2
85.02889	3.5
85.06538	3.8
91.04008	2.5
91.05482	46.8
93.07043	41.1
93.07626	1.8
95.04971	15.7
95.08609	24.2
97.02882	9.9
97.06544	8.2
97.10162	7.9
98.97583	3.2
99.04439	1.8
105.07034	40.6
107.04951	11.0
107.08604	33.8
109.02886	2.0
109.06517	10.2
109.09470	2.7
109.10158	28.8
110.05186	1.3
111.04451	3.9
111.08089	5.0
112.99170	1.6
115.93435	1.3
117.07016	11.4
119.08565	15.5
119.74487	1.3
121.06519	8.4
121.10148	11.0
123.08065	7.4
123.11702	6.3
125.09646	4.5
127.07528	1.6
128.06322	1.6
129.07008	6.8
131.00142	2.4
131.08588	15.9
133.06520	8.6
133.10138	48.5
135.08089	10.0
135.11700	6.2
137.06003	2.2
137.09604	4.2
139.07582	2.9
143.08563	5.4
145.10138	8.0
147.08070	6.4
147.11694	5.3
149.01231	2.5
149.09621	14.1
149.13297	2.2
151.07521	1.5
151.11192	30.5
157.10135	5.6
159.08080	2.1
159.11732	4.5
161.09631	8.0
161.13277	4.2
163.11183	3.1
165.09155	1.9
169.10146	1.5
169.12230	4.8
171.11705	5.9
173.09573	2.3
175.11148	5.0
177.00752	1.7
177.09117	5.3
177.12798	1.9
179.10696	2.4
181.12196	1.6
187.11159	2.9
189.11252	3.2
189.12799	2.2
193.12158	2.8
195.13850	2.6
201.56091	1.4
203.14240	1.7
205.12230	1.8
213.07907	1.9
213.12714	1.7
215.12903	2.1
217.12271	1.4
218.07817	1.6
223.13327	13.4
227.17909	3.8
240.23212	1.7
245.18982	7.6
253.12012	1.1
253.14362	28.4
255.17435	2.9
263.20129	5.8
267.09009	4.2
267.59329	1.3
269.10519	7.0
269.13531	1.8
273.18500	28.1
284.12723	4.6
285.10056	6.9
285.13364	2.6
287.11618	2.0
291.19559	55.7
292.19995	1.7
309.20364	2.1
317.12857	2.2
340.15161	3.2
347.22165	6.3
365.10385	2.3
365.23141	100.0
365.33142	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76771	0.9
53.03949	4.2
55.01878	7.9
55.05517	33.9
56.96564	1.8
57.03440	13.4
57.07057	1.2
65.03938	1.9
67.05510	40.2
69.03429	12.6
69.07075	53.3
69.95231	4.7
71.04990	2.3
75.32344	0.9
77.03909	0.9
79.05501	33.4
81.03430	9.5
81.07063	29.1
83.04982	7.3
83.08620	10.6
85.06560	2.0
91.05491	19.5
93.07055	23.5
95.04974	9.5
95.08613	15.4
97.02896	10.7
97.06530	6.2
97.10172	17.5
97.99258	0.9
98.03812	1.0
98.20822	1.0
98.97587	1.7
105.07045	14.4
107.04969	9.5
107.08594	16.5
109.06529	4.8
109.10165	10.6
111.04445	2.1
111.08099	4.3
115.05446	1.7
115.60741	1.1
117.07040	8.7
119.04980	1.1
119.08585	14.3
121.06504	3.8
121.10149	7.6
123.08089	7.5
123.11678	1.4
125.06036	1.5
125.09641	15.3
129.07021	3.9
131.08598	9.0
133.06508	2.7
133.10149	7.8
135.08034	6.0
135.11702	2.8
137.09627	4.8
139.07550	1.0
143.08578	3.1
145.06473	1.3
145.10138	6.9
147.08072	6.7
147.11696	3.3
149.09642	1.9
149.13367	2.4
151.11206	2.6
153.09103	2.0
157.10138	3.8
159.11700	3.3
161.09634	3.6
163.11195	3.0
165.09164	3.1
169.10152	1.3
169.12198	2.0
171.10219	1.4
171.11639	2.5
173.11809	1.5
173.13292	1.5
175.11237	3.4
177.12753	2.3
185.13303	1.4
187.11194	1.0
189.11186	9.4
189.12430	0.9
191.14307	1.3
193.12274	2.5
195.13837	3.4
205.12282	2.8
209.11752	1.2
219.13965	1.4
223.13332	22.3
227.12842	1.1
227.17975	1.8
231.17499	1.4
243.09091	1.0
245.19193	1.8
249.14758	1.3
255.17435	1.3
263.20200	1.5
273.18500	18.7
284.12869	1.7
291.19571	100.0
292.20010	1.1
312.53275	1.1
344.14771	1.2
347.22369	2.7
365.23203	85.9
366.23624	1.7
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	Galbonolide C
Peak:m/z	Relative Intensity
53.03940	4.5
54.63577	1.4
55.01885	7.9
55.05513	13.8
56.96554	4.1
57.03441	12.3
57.07065	4.5
59.05012	13.9
60.11362	1.4
65.03927	2.2
67.05187	2.3
67.05510	36.5
69.03425	3.9
69.07076	11.5
69.26356	10.6
71.05006	2.5
72.56406	1.4
79.05084	1.2
79.05499	25.8
81.03411	5.3
81.06596	2.3
81.07058	40.6
83.04980	8.3
83.08608	6.1
85.02882	1.7
85.06543	2.9
86.09679	1.6
91.05483	36.6
93.07048	30.0
95.04977	12.4
95.08617	13.9
97.02853	2.2
97.06519	6.2
97.10143	2.5
105.07041	30.2
107.04980	6.8
107.08598	20.6
109.06534	8.1
109.10171	21.7
111.04450	1.9
111.08094	3.2
115.11253	2.2
117.07043	7.6
119.08586	9.9
121.06502	6.6
121.10149	7.5
123.08061	8.9
123.11694	4.3
127.07571	1.7
129.07014	2.9
131.08574	10.8
133.06462	6.6
133.10138	37.4
135.08058	11.4
135.11690	4.8
137.09645	2.7
139.07529	3.0
143.08565	6.3
145.10162	8.6
147.08095	3.7
147.11676	4.3
149.09639	11.1
151.11191	20.3
155.08577	1.6
157.10144	4.8
159.07983	2.9
159.11682	6.5
161.09663	6.7
161.13243	3.3
163.11157	2.3
169.10109	2.0
169.12218	1.7
171.11649	4.8
173.13339	1.7
175.11153	2.2
177.09119	4.7
181.10056	2.1
183.11708	2.2
185.09683	2.2
185.13223	2.3
195.11732	2.2
197.13289	2.1
199.11092	1.5
215.12677	3.1
217.12408	1.7
235.14949	1.9
245.18980	4.5
253.14394	26.4
255.17427	1.6
263.20187	3.1
273.18527	13.0
285.40829	1.3
291.19556	13.0
321.78458	1.5
347.22397	3.4
365.10529	3.2
365.23047	100.0
366.23315	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2303
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03933	0.3
55.01872	0.7
55.05501	1.5
56.96567	0.7
57.03427	1.3
66.53846	0.4
67.05505	3.2
69.03433	0.6
69.07068	1.5
70.30892	0.3
70.48830	1.0
76.12039	0.4
79.05492	4.3
81.03413	0.9
81.07058	3.7
83.04992	1.1
83.08611	0.8
85.02909	0.9
91.05495	2.3
93.07045	2.8
95.04983	0.8
95.08611	1.2
97.06533	0.7
98.97554	1.2
105.07021	2.3
107.04961	0.7
107.08629	2.0
109.06512	1.5
109.10176	1.6
110.17472	0.5
110.30386	0.4
110.97573	0.5
111.04433	0.8
111.63219	0.4
117.07022	1.2
119.08580	1.2
121.06448	0.6
121.10144	1.4
123.08071	0.8
129.06958	0.4
131.08559	0.6
133.10141	1.7
135.08075	0.7
135.11725	1.0
145.10097	0.8
147.08136	0.5
147.11562	0.5
149.09621	0.6
151.11256	1.0
157.10297	0.5
158.99670	0.6
171.11687	0.5
173.44188	0.5
195.09908	0.7
199.06508	0.4
209.06659	0.6
231.10718	0.6
253.14423	1.2
267.14465	1.8
273.18561	1.4
284.12881	1.5
285.10016	0.7
285.15433	0.6
291.19678	2.5
333.19275	0.7
335.22049	0.4
347.22147	1.1
365.23001	100.0
366.23334	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	365.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85159	2.6
54.57671	2.5
55.01844	5.7
55.05517	36.0
56.05810	5.0
57.03415	6.5
57.07040	9.4
59.04987	3.1
61.38696	2.3
65.03891	3.1
67.05514	25.2
69.03421	3.1
69.07070	51.9
69.91196	12.0
70.07369	3.0
71.04977	5.2
76.72603	2.6
79.05492	28.7
80.05772	6.3
81.07057	37.5
83.04925	8.9
83.08617	21.5
85.06491	8.3
91.05483	14.8
93.07043	39.7
95.04969	15.9
95.08614	29.7
96.04455	3.6
97.06538	23.5
97.10111	12.0
98.10449	5.2
105.07022	19.1
107.08591	38.5
108.08900	2.9
109.06527	17.1
109.10150	16.4
111.08031	9.4
111.11674	3.8
115.05407	4.0
117.06961	7.3
119.08569	25.3
120.08910	3.4
121.06430	3.5
121.10139	14.2
122.10398	3.9
123.07994	8.5
123.11680	3.8
125.09572	9.8
126.09913	3.0
129.06975	4.6
131.08493	8.4
133.10062	11.5
135.08064	28.2
135.11702	44.9
137.13184	4.4
138.12709	4.7
139.13072	4.9
142.07678	4.8
143.08481	9.8
145.10132	19.3
147.08002	4.0
147.11597	9.1
149.09512	3.7
151.07529	4.5
153.12762	22.8
156.09271	5.5
157.10085	14.2
159.11592	11.1
161.09619	3.1
163.11078	7.4
165.12701	17.9
167.14160	3.3
169.10057	6.5
171.11578	7.7
173.13206	5.5
177.12814	13.8
179.14229	4.4
180.29851	3.5
185.13292	14.8
187.14754	6.1
193.12207	4.9
195.11653	6.1
197.13150	6.1
199.14627	3.7
207.11682	5.2
209.13306	4.9
213.12769	4.7
217.14372	24.5
221.13089	5.6
223.14752	7.6
238.15016	6.8
245.13098	3.2
249.16075	3.5
263.20065	4.5
267.17340	3.9
269.18463	3.2
274.18738	3.9
297.84100	2.6
305.22943	3.8
306.21375	14.0
306.24173	2.6
323.23886	6.4
333.22290	4.5
347.25986	72.6
365.13571	5.9
365.20605	15.4
365.24860	100.0
372.14267	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	365.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57562	1.1
53.19237	0.9
54.07650	1.0
55.05510	2.7
57.07059	3.6
67.05502	4.8
69.07063	4.6
69.35159	9.7
79.05485	2.5
81.07057	4.7
85.06544	2.3
91.05473	3.0
93.07040	3.8
95.04957	1.8
95.08625	6.0
105.07013	3.1
107.08627	5.3
109.06533	4.3
109.10175	2.8
111.04425	2.0
119.08589	2.6
119.98016	1.1
121.10190	2.7
123.08086	4.5
125.05978	2.3
131.08563	1.5
133.10124	2.7
135.08127	2.5
135.11722	2.4
137.05986	2.4
145.10132	2.0
147.11739	1.7
149.09673	1.3
151.07622	1.8
152.08353	3.9
153.12660	1.6
163.11163	1.2
165.09119	11.5
177.12737	1.5
179.10655	2.5
208.14755	1.8
221.15300	2.5
237.16379	1.3
263.20142	2.3
291.99133	1.2
305.24777	8.0
307.39185	1.2
319.26431	5.3
347.25873	49.6
365.21201	7.2
365.26932	100.0
366.27264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.05517	12.5
56.05840	2.3
57.07064	4.6
59.04990	3.3
67.05509	22.0
69.03425	3.1
69.07069	11.1
71.54825	2.1
73.02323	1.8
79.05499	16.0
81.07063	20.2
83.04982	3.7
83.08622	5.9
85.06550	4.9
91.05488	21.3
93.07050	28.0
95.04973	37.7
95.08617	23.7
96.36905	2.1
97.06545	3.5
97.10188	5.5
105.07039	30.0
107.08603	27.2
109.06518	6.7
109.10168	10.6
117.07048	11.3
119.08588	27.2
121.06503	5.0
121.10140	12.4
123.08089	5.5
127.47414	2.0
128.06261	3.9
129.07028	11.7
129.86705	2.2
131.08583	15.9
133.06578	2.5
133.10155	14.2
135.08034	12.0
135.11728	4.8
139.80945	2.0
141.07005	4.1
142.07782	8.1
143.08569	23.9
144.09348	6.9
145.10139	24.1
147.08069	6.1
147.11737	4.8
149.09598	3.1
153.07034	2.4
155.08556	10.5
156.09358	11.1
157.10143	27.6
158.10989	3.5
159.08109	5.1
159.11720	27.4
161.09612	5.3
161.13300	5.1
162.10318	2.3
165.07005	5.0
167.08612	6.1
169.10173	12.4
170.10910	8.4
171.11716	18.6
172.08865	2.6
172.12437	2.8
173.09604	3.6
173.13309	9.0
175.11186	4.4
179.08588	6.6
180.09360	3.2
181.10120	12.4
182.10918	6.1
183.11693	20.0
184.12617	3.1
185.09605	2.8
185.13234	15.4
187.11183	11.8
187.14850	9.6
192.09380	4.1
193.10103	11.1
194.10930	6.7
195.11726	21.7
196.12498	9.3
197.13214	12.9
198.14091	2.7
199.11212	3.9
199.14798	5.4
203.08493	2.5
203.14302	2.5
205.15965	6.2
206.10889	5.8
207.11734	15.1
208.12517	7.7
209.13271	16.5
210.10620	2.7
210.14056	2.9
211.14807	10.3
213.12753	11.3
219.11772	5.5
219.14021	2.7
220.12579	3.8
221.13269	15.9
222.14139	3.5
223.11156	3.3
223.14833	14.2
225.12817	3.6
225.16403	4.0
229.16017	3.6
233.13295	9.3
234.14081	3.1
235.12975	6.4
235.14955	6.4
236.15668	3.1
237.16402	11.6
238.17249	4.2
239.14406	2.8
241.15851	4.9
245.13345	2.3
247.14880	5.6
248.15605	4.5
249.16428	11.0
251.17990	9.5
253.15767	2.7
255.17615	3.9
261.16507	4.3
263.17938	10.7
264.18719	3.8
265.19647	2.7
267.17563	6.4
269.19067	6.5
273.16357	3.5
277.19565	2.3
289.19376	4.2
291.17496	4.9
291.21472	2.9
306.21625	4.7
309.18539	2.3
317.19043	3.0
323.24014	3.5
329.22568	2.8
347.23627	26.8
365.24863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74135	0.4
53.03948	0.9
55.01869	0.7
55.05502	1.9
56.96569	3.0
57.03432	1.8
57.62338	0.5
61.02918	2.0
62.15387	0.5
65.15266	0.5
67.05503	3.7
69.03422	1.6
69.07054	1.8
69.33968	2.5
69.34386	1.4
71.05006	1.0
73.02930	1.0
79.05492	4.1
81.03425	2.7
81.07059	3.9
82.13380	0.5
83.04985	1.5
83.08620	0.9
85.02894	2.8
85.06545	0.8
90.68050	0.5
91.03970	0.9
91.05484	3.1
93.07045	2.9
95.04974	1.4
95.08604	1.8
97.02917	3.0
97.06519	1.0
98.97570	1.1
101.02347	0.8
105.07052	3.1
107.04944	1.8
107.08600	2.1
107.90514	0.5
109.06529	1.0
109.10150	1.4
111.08113	0.8
117.06992	1.4
119.08595	1.7
121.06511	0.8
121.10125	1.9
123.08067	0.9
127.03920	0.6
129.07008	1.3
131.08591	1.1
133.10159	1.5
135.08040	1.6
135.11697	0.9
145.10138	1.4
147.08075	1.1
147.11684	1.7
149.09642	1.3
155.08632	0.6
157.10086	0.7
161.09593	0.6
163.11201	1.2
175.11212	1.0
193.08414	1.4
193.12267	1.5
195.09988	1.3
211.13315	2.2
241.07477	0.7
243.08849	2.7
243.11113	0.7
244.71921	0.6
249.07829	0.9
259.08551	0.8
267.09073	4.1
267.15668	0.6
269.12521	2.9
273.15912	0.7
273.18448	2.9
279.11880	1.4
284.13461	0.8
285.10101	8.5
301.09702	1.2
347.18295	1.8
356.14905	0.9
365.19373	100.0
366.19711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.8
69.17831	6.4
72.08144	2.0
91.05514	0.7
93.07061	0.7
107.08592	1.0
107.59821	0.7
120.04460	0.8
120.08071	1.6
122.06019	2.1
136.07553	0.6
138.05534	1.7
140.07118	1.3
146.09578	0.9
148.03893	1.5
148.07578	4.3
158.71608	0.7
160.07570	0.7
166.04974	4.1
168.06621	1.7
171.09218	1.2
172.07590	2.0
174.09148	2.3
175.06241	0.8
175.08691	4.9
176.07076	6.6
176.09488	1.1
185.07193	0.9
185.10617	0.8
186.05516	0.7
187.08806	0.8
189.06586	0.7
189.10245	2.8
190.08614	1.3
196.07617	1.0
198.07768	2.1
199.08713	6.3
200.07167	3.5
201.10306	1.1
202.08789	3.1
203.08173	15.3
204.06546	1.6
212.05818	0.7
213.06732	1.2
213.10258	4.1
214.08656	2.7
215.11798	1.3
216.10170	1.8
217.06339	0.8
217.09798	13.9
222.07759	0.7
224.07040	0.8
227.08182	13.8
228.06540	2.2
229.09796	1.3
231.07713	1.0
231.11325	1.9
235.10785	3.5
241.09761	10.1
242.08159	4.3
245.09251	38.6
246.07562	1.5
246.09853	1.3
247.10789	1.6
250.07172	0.9
259.10785	11.8
263.10309	21.2
269.09235	5.1
270.07751	0.8
273.08679	3.6
277.11807	0.9
287.10260	19.1
289.11765	1.7
291.09760	6.8
297.08688	1.3
305.11343	67.8
306.11697	1.5
315.09763	3.8
323.12387	17.8
333.10828	19.6
347.12457	0.9
365.13461	100.0
366.13684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93202	0.7
68.98301	0.6
69.03432	1.0
71.25123	1.5
82.72723	0.5
82.99854	2.3
85.02905	2.0
97.01395	0.7
97.02903	0.7
98.97575	0.8
99.60226	0.6
101.00886	12.4
101.01513	1.2
109.02964	0.6
113.00876	2.0
115.02436	8.3
119.01933	9.0
122.01389	1.5
127.02409	1.5
127.03944	0.9
129.03975	1.7
131.01898	5.8
133.03473	15.8
133.04404	1.1
134.92091	0.6
137.01875	1.8
137.02907	0.8
139.02385	0.8
141.03983	2.4
143.01897	12.4
145.03456	5.9
147.05040	2.4
151.04495	1.4
152.02452	0.9
153.03973	0.9
155.01897	7.2
157.03462	4.3
159.05031	9.9
161.02956	8.9
163.04486	0.7
167.01920	3.9
169.03491	2.7
171.01402	1.4
171.05051	2.6
173.02950	9.9
175.04564	1.7
177.06099	6.9
179.01958	2.1
183.05051	0.9
185.02933	11.7
185.04256	14.9
185.06630	0.7
187.04555	2.2
189.02487	1.2
191.07715	0.9
194.03516	0.9
195.01425	0.9
195.07187	3.9
197.02939	6.9
199.04475	0.9
201.02463	0.7
201.06116	0.7
203.05342	40.2
205.05641	1.6
209.08760	1.4
212.04581	0.7
213.02429	1.1
215.03932	3.5
219.07161	15.2
224.04692	0.7
227.04062	3.1
241.05708	0.8
245.05093	36.7
246.05316	0.7
247.06609	2.6
249.08299	1.1
253.84259	0.6
257.05106	2.7
259.06726	1.4
263.06219	5.7
271.06567	1.0
273.04605	2.7
275.06097	6.7
277.07721	1.6
287.57205	0.7
289.07681	7.6
293.07126	1.0
305.07175	3.2
305.10495	1.2
317.07187	8.2
333.06647	12.7
335.08069	1.0
339.50748	0.7
347.08182	0.9
365.10568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68615	0.5
65.62984	0.4
69.26099	4.2
76.41664	0.5
98.21527	0.8
101.00868	2.1
105.28339	0.5
110.67263	0.5
119.01906	1.9
127.02382	0.6
131.01889	1.0
143.01926	3.3
145.03421	0.9
150.18069	0.4
155.01918	1.5
155.98314	0.5
161.02983	1.5
167.01961	1.1
173.02968	1.8
185.02919	2.3
185.04271	17.7
197.03061	1.2
203.05293	37.3
205.83035	0.5
215.04063	0.6
235.10844	0.5
245.05072	6.7
263.06259	1.7
275.06070	0.9
365.10587	100.0
366.11066	1.4
375.62390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53326	0.5
61.02923	0.7
70.78050	1.8
97.01400	1.3
97.02908	0.5
101.00890	4.5
103.02435	0.8
105.92165	0.5
111.47889	0.6
113.00863	1.3
115.02431	7.4
119.01940	4.5
120.02129	0.6
127.02369	0.9
127.03917	0.6
129.03973	1.8
131.01935	1.1
133.03476	12.5
138.70044	0.6
139.02397	0.7
141.03967	1.2
143.01930	5.6
145.03455	2.2
147.05013	2.4
148.39969	0.6
151.04478	1.3
155.01915	1.9
157.03477	2.6
159.05040	9.4
161.02995	4.5
167.01866	1.4
171.01422	1.2
171.04959	1.4
173.02948	3.5
177.06065	5.6
183.05115	0.8
185.02893	3.1
185.04242	14.9
185.05914	0.9
185.06650	1.0
186.45554	0.6
189.02396	1.0
191.07671	0.9
195.07140	3.2
197.02997	2.0
199.04536	1.4
203.05281	38.4
205.05583	1.4
209.08812	0.7
211.04617	0.7
213.02484	1.3
215.03964	1.3
219.07161	15.3
219.09230	1.1
220.07393	0.7
223.04622	0.8
227.04068	2.1
231.03436	0.9
231.07251	0.7
241.05553	1.1
245.05081	12.5
247.06657	2.3
249.08253	1.0
259.06842	1.3
263.06186	1.8
271.06638	1.1
273.04578	2.5
275.06155	3.3
289.07693	7.3
293.07095	0.7
305.07196	2.4
317.07184	7.7
333.06647	12.6
333.10425	0.9
335.08325	1.0
347.08173	1.0
365.10562	100.0
366.10965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53738	0.9
56.96586	1.1
57.03457	0.9
61.64407	0.9
68.98261	1.0
69.03445	1.1
70.04398	3.4
70.04769	1.5
70.99846	1.3
82.99869	2.3
84.08142	0.8
85.01427	1.0
85.02910	4.3
89.35600	0.8
97.01414	1.6
97.02911	1.9
98.97572	2.7
101.00885	14.7
103.02429	1.6
111.02963	1.2
112.99107	1.3
113.00877	2.8
115.02435	23.8
119.01936	14.2
122.01369	1.6
127.02415	2.6
129.00311	1.1
129.03996	4.7
130.06519	1.2
131.00298	1.6
131.01892	8.3
133.03470	38.2
137.01932	1.0
139.02428	1.5
141.03967	6.1
143.01900	17.0
143.05505	1.0
145.03465	9.2
147.05028	7.0
147.98656	0.8
151.04524	3.2
152.02472	1.7
152.40694	0.8
155.01891	9.3
157.03490	8.8
159.01428	1.0
159.05034	25.2
161.02977	11.8
161.06613	1.1
167.01828	5.0
169.03471	1.4
171.01404	3.1
171.05008	5.8
173.01646	0.9
173.03000	11.7
175.03058	1.0
175.04541	3.2
177.02437	1.1
177.06068	16.2
177.07556	1.2
179.01799	1.2
181.03426	1.1
182.03535	1.0
183.05089	1.9
185.02942	13.5
185.04257	16.4
185.05939	1.4
185.06607	1.8
187.04510	2.3
189.02493	2.7
191.07726	2.8
194.03549	0.9
195.01462	2.1
195.07111	8.9
197.02887	8.1
199.04523	2.5
201.02521	1.2
201.06146	1.5
201.91867	0.8
203.05359	38.7
205.05565	4.3
206.54613	1.0
209.08841	4.5
211.04497	1.7
213.02513	4.0
213.05988	1.1
215.04057	3.4
217.01901	1.4
219.07150	39.2
220.07156	1.4
223.04556	4.3
227.03993	4.4
229.05643	1.5
231.03603	1.6
231.07283	1.4
233.05177	1.7
235.04781	0.9
241.05580	2.7
245.05086	43.7
247.06592	8.1
249.08281	3.2
257.05151	2.7
259.06677	3.5
261.08093	1.0
263.06125	5.2
265.07803	1.4
271.06635	4.5
273.04486	6.2
275.06128	11.6
277.07779	3.4
289.07669	23.7
293.07309	1.4
295.05261	1.0
305.07217	6.5
305.10745	1.8
317.03534	1.0
317.07190	21.7
333.06665	36.2
335.08319	1.9
347.08322	3.2
351.07843	1.5
365.10550	100.0
366.10999	1.3
380.96210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.1
57.03424	1.0
58.85443	0.9
60.04525	1.1
69.03421	1.4
70.06586	1.1
70.42321	2.6
70.46124	0.7
73.02920	1.1
75.38435	0.8
77.03010	0.8
82.97899	0.8
84.08115	1.4
85.02910	4.1
97.02902	2.7
98.21450	1.1
98.97595	4.2
101.00889	13.6
110.01413	1.7
110.97552	1.0
111.02909	0.9
112.99120	3.4
113.00857	3.9
115.02431	10.8
116.01396	0.9
116.98642	2.2
117.15472	0.7
117.90268	0.9
119.01918	11.5
120.07993	0.8
122.01408	3.5
127.02406	2.0
128.01375	2.8
128.98595	0.9
129.02264	1.0
129.04010	3.2
130.06476	1.4
131.00171	3.1
131.01900	13.8
131.51901	1.1
133.03476	21.6
136.06155	1.8
137.01917	5.8
137.51964	2.6
139.02435	1.0
141.03983	3.8
142.12225	1.4
143.01897	17.1
143.02911	0.9
143.05557	1.1
145.03464	7.3
145.39053	0.8
147.01334	1.0
147.05025	3.9
151.04510	1.5
152.02475	2.4
155.01894	7.7
157.03491	5.5
158.02448	1.0
159.01390	0.9
159.03166	0.9
159.03751	1.2
159.05034	14.3
161.01183	0.8
161.01628	1.1
161.02985	11.4
161.06613	5.0
163.04559	1.3
167.01958	3.6
167.05688	1.2
169.03458	1.0
171.01414	2.3
171.05013	4.0
173.02974	15.8
173.06595	0.9
175.04456	1.8
177.02409	1.8
177.06073	9.1
179.07716	1.9
181.03435	1.0
183.05042	1.1
185.02919	11.8
185.04254	18.0
185.06552	3.2
187.04547	1.7
189.02509	1.0
189.06090	1.3
191.03946	1.2
191.07605	1.4
194.03368	1.0
195.01382	1.1
195.05521	1.0
195.07121	5.3
197.02986	5.7
197.06708	1.6
199.04565	2.3
201.02461	1.5
201.06148	1.5
202.18008	3.6
203.04012	6.4
203.05290	36.2
203.07649	5.6
203.18404	2.7
203.54184	2.1
205.05629	1.9
209.08714	2.3
213.02438	3.0
215.03996	3.6
215.07626	7.2
217.09183	0.9
219.07141	16.6
221.05084	3.1
223.04659	1.7
224.04446	4.0
227.04051	3.5
227.07622	1.3
231.07153	1.8
239.07713	1.6
241.05615	1.5
245.05090	32.8
247.06604	4.5
249.08257	2.1
257.02185	0.9
257.04892	1.9
259.06583	1.4
263.00748	1.1
263.06277	4.0
273.04559	5.0
275.06107	6.3
275.09384	1.7
277.07605	1.1
287.02771	1.0
289.07632	8.2
293.07242	1.5
305.03851	1.6
305.07172	5.4
305.10812	14.5
317.07166	9.6
323.11850	5.0
333.06635	17.1
347.08340	1.0
365.10498	100.0
365.23288	5.0
381.76038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95285	0.5
55.05511	1.0
56.96571	7.3
57.03439	1.2
69.03442	3.0
70.06596	1.5
70.77844	1.0
72.08144	0.9
73.02924	0.7
79.05502	0.8
81.03423	3.8
81.07065	0.6
81.62775	0.6
82.03752	1.1
84.08188	0.9
84.96070	0.9
85.02911	5.3
86.09730	0.9
87.00836	1.2
97.02843	1.2
98.97600	7.1
105.01861	1.6
107.08591	0.5
109.02914	1.3
110.97585	3.1
112.99216	0.8
116.98663	1.9
117.55645	0.6
120.08134	0.5
127.03960	2.1
128.98642	1.8
135.59587	0.6
143.00217	0.7
145.04976	1.0
146.99693	0.7
147.04424	0.7
158.99786	0.9
161.01271	0.7
163.03929	1.2
167.44608	0.7
174.63675	0.5
177.00763	0.9
185.04237	4.7
195.03401	1.3
201.00844	0.7
202.07083	0.6
203.00285	0.6
203.03247	6.7
203.05325	2.5
203.07365	0.7
213.04405	0.7
219.01747	2.7
221.01170	1.0
221.03053	5.3
231.05107	0.8
237.02846	3.1
239.02252	4.1
257.03415	1.8
289.05844	0.6
299.04218	0.6
305.86670	0.6
347.06216	1.8
365.08618	100.0
366.08957	1.3
383.06708	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05503	0.9
67.05495	1.0
69.03407	0.5
69.07053	0.3
69.23280	1.2
69.23708	0.6
71.04969	0.3
71.75470	0.2
72.08173	0.3
79.05491	1.1
81.03426	3.9
81.07053	1.4
83.04980	0.5
83.08627	1.3
85.02899	0.8
90.26631	0.2
93.07053	0.7
94.04063	0.4
95.04958	1.1
95.08587	0.6
97.02902	0.4
97.06488	0.3
97.10184	0.2
98.20720	0.4
98.97586	0.5
105.07020	1.1
107.08595	0.6
109.06467	0.4
111.08066	0.6
119.03553	1.4
119.08585	0.9
121.10168	0.3
123.08063	0.2
129.07021	0.6
131.04973	0.2
131.08600	0.5
133.10139	0.5
136.06186	100.0
137.04572	0.9
137.06586	0.3
137.09671	0.2
147.11696	0.8
149.09549	0.3
152.05653	1.3
153.12762	0.4
157.10141	0.5
157.70166	0.2
174.07761	1.7
175.11221	0.6
187.49815	0.2
187.83888	0.2
193.12265	1.7
211.13255	2.3
235.13954	0.2
302.17752	0.2
310.16623	0.6
314.34064	0.2
328.17657	0.8
346.18649	2.2
364.19788	38.3
365.20013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
55.01853	1.3
55.05472	1.1
56.96570	43.0
69.03397	2.6
70.06599	5.8
71.04744	1.5
72.04802	1.0
72.08130	1.6
81.03390	2.7
81.07046	2.1
83.04974	1.5
84.08133	2.2
84.96048	8.1
85.02905	6.5
86.09701	2.2
93.07028	1.3
97.02899	2.1
98.97591	39.7
105.01865	0.9
110.97578	15.2
112.99097	2.7
116.98620	11.4
120.08059	2.0
121.50446	1.2
121.80773	0.8
124.99059	2.3
126.97053	1.0
127.03876	2.2
128.97853	1.0
128.98616	12.7
129.10213	1.6
130.06451	1.1
131.00168	2.0
134.99583	2.7
137.02681	0.9
140.98560	1.6
143.00160	6.8
144.98032	1.9
145.04930	1.1
146.99602	4.0
147.04375	2.5
158.99590	4.2
161.01219	7.0
169.01587	1.5
170.99606	3.3
176.07005	1.2
177.00664	4.4
177.02182	2.6
179.02258	1.3
185.04156	2.7
189.00650	1.8
191.00072	2.9
195.03316	6.1
201.00595	2.5
203.00188	1.5
203.03371	1.1
203.05229	3.8
209.01175	2.9
213.04375	5.0
213.70103	0.9
219.01755	15.4
221.01241	10.9
237.02805	21.1
239.02296	28.8
257.03348	10.4
261.04221	0.9
263.02197	2.9
279.05316	1.0
281.03110	1.8
305.03299	1.9
307.04984	1.3
317.03241	1.5
325.05731	1.1
347.04355	2.3
365.05328	100.0
366.05557	1.6
383.06479	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	363.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01875	3.6
55.05514	22.6
56.52797	2.8
56.96557	9.6
57.03433	5.5
57.07065	7.2
59.04998	5.7
59.85110	2.7
62.91225	3.2
65.03947	4.4
67.05505	22.0
69.03439	15.8
69.07077	53.1
70.06599	4.3
71.04994	6.5
71.53613	4.5
71.73685	2.8
79.05509	16.1
81.03414	5.2
81.06598	5.2
81.07065	100.0
83.04964	8.2
83.08617	22.7
85.02895	4.7
85.06528	13.1
87.04460	3.1
91.05477	14.5
93.07043	35.4
95.04958	8.4
95.08610	68.4
97.02898	5.4
97.06525	13.5
97.10176	8.6
98.97570	7.5
99.08080	6.3
105.07013	15.6
107.08616	32.9
109.02872	3.8
109.06544	5.7
109.10158	30.0
111.08101	12.1
111.11687	13.8
116.98649	3.3
117.07064	4.4
119.08573	16.0
121.10143	17.7
123.08084	5.1
123.11719	31.2
125.09605	4.9
127.11197	4.3
131.08560	4.9
133.10138	10.1
135.08015	5.6
135.11690	13.2
136.07587	3.7
137.13260	25.6
143.08537	4.7
145.10094	9.1
147.11655	6.1
149.09581	3.7
149.13280	23.5
150.05557	3.7
153.12762	21.5
155.14276	4.7
159.07997	4.0
159.11743	4.5
163.03969	5.8
163.14859	7.6
167.07028	3.5
167.14325	5.2
173.15358	4.1
174.99013	3.7
184.04697	4.3
187.11050	4.3
204.06549	3.9
279.26889	8.4
289.18146	7.7
291.26746	17.3
309.27878	18.1
329.09750	3.7
363.08701	34.7
363.12854	4.6
363.17853	17.6
363.21509	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03452	0.5
55.05513	4.7
57.07058	1.5
59.05019	1.0
61.84981	0.6
67.05506	6.3
69.06736	0.8
69.07072	10.3
69.07426	1.2
69.31765	5.6
71.04989	1.4
71.08610	0.7
71.64597	0.6
79.05486	3.3
81.07060	11.0
83.04977	1.1
83.08614	2.8
83.47414	0.6
85.06539	1.1
91.05470	2.0
93.07075	5.9
95.08614	9.9
97.06509	1.4
97.10162	1.1
99.08088	0.8
105.07016	2.4
107.08618	4.8
109.06515	9.5
109.10174	4.1
111.08071	2.1
119.08598	4.1
121.10150	3.9
122.07304	0.9
123.08073	57.5
123.11707	2.4
126.83577	0.6
131.08566	1.8
133.10133	3.2
135.08067	3.9
135.11708	2.5
137.09618	4.2
137.13292	1.1
145.10124	1.4
147.11678	2.3
149.09639	1.0
149.13268	2.5
157.05028	0.6
159.11696	1.7
161.13277	1.7
165.12711	1.3
167.14316	0.8
177.12683	0.8
179.14326	16.2
179.15884	1.4
200.66795	0.7
204.66447	0.6
275.20187	1.3
289.25037	1.2
307.22693	7.0
331.26205	4.2
363.28937	100.0
364.29224	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.2
57.07064	2.7
67.05505	6.3
69.07067	7.0
69.45039	1.2
69.45440	5.2
71.04980	1.0
71.08629	3.4
72.84947	0.8
79.05499	3.1
81.07062	10.7
83.04970	0.9
83.08615	1.8
85.06532	1.4
91.05485	2.0
93.07065	5.5
95.04941	1.0
95.08615	9.3
97.06505	1.3
97.10169	1.5
98.20797	1.4
99.08076	1.8
105.07020	3.0
107.08586	4.8
109.06512	10.4
109.10174	4.0
111.08059	1.2
119.08589	3.7
121.10154	3.3
122.07312	1.4
123.08071	35.3
123.11657	1.9
131.08630	1.1
133.10101	2.9
135.08061	2.3
135.11719	2.4
137.09627	2.2
137.13228	1.1
145.06351	0.8
145.10022	1.2
147.11658	1.9
149.09636	1.4
149.13292	1.4
159.11678	1.6
161.13315	1.0
167.14326	1.1
173.13234	1.1
179.14316	47.8
183.17207	1.0
193.15936	1.5
233.18999	1.0
297.54855	0.9
306.08966	0.8
307.22668	3.6
320.18161	0.9
331.26370	3.0
345.24118	1.6
362.11871	0.8
363.28949	100.0
364.29242	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	363.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70182	0.6
61.32229	0.6
70.03236	1.4
70.03623	1.3
77.36264	0.6
98.21451	0.6
102.14332	0.5
111.04226	1.0
137.06003	0.7
207.41345	0.6
275.16199	9.7
294.14368	2.4
363.21436	100.0
364.21768	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	363.2144
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
64.30368	0.3
68.11846	0.3
70.79838	0.8
75.42291	0.3
96.08140	0.7
99.10391	0.3
112.07571	0.5
137.05746	1.2
148.17404	0.4
163.80190	0.4
189.64412	0.4
234.83607	0.3
235.13124	0.8
249.14662	0.5
296.94431	0.5
363.21439	100.0
364.21420	1.9
386.69522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2143
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
55.05516	1.1
56.96552	1.8
57.07066	0.9
67.05495	1.5
69.07062	1.8
71.00289	0.8
79.05488	0.9
81.07056	1.1
93.07047	1.7
95.08638	1.5
100.24375	0.7
105.07005	0.8
109.10178	1.0
119.08561	1.3
123.08097	0.8
148.53796	0.7
149.09618	0.8
166.05769	0.8
179.14314	1.7
191.88576	0.9
197.42255	0.8
239.12471	6.4
363.21423	100.0
364.21774	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	363.2893
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.01880	0.7
55.05515	4.3
57.03448	0.5
57.07069	2.3
60.79650	0.4
67.05509	5.8
68.22598	0.4
69.07072	8.0
69.43871	0.4
69.84507	1.8
71.04994	1.3
71.08628	1.3
73.06548	0.5
74.29507	0.6
79.05495	4.1
81.07063	8.7
83.04983	0.9
83.08610	3.5
85.06531	1.4
91.05494	2.7
93.07053	4.4
95.04988	0.5
95.08607	9.2
97.06520	1.6
97.10155	1.1
99.08092	0.9
103.53291	0.6
105.07035	2.7
107.08600	5.3
109.05803	1.0
109.06518	10.9
109.10179	4.3
111.08089	1.5
117.07055	0.6
119.08584	3.5
121.10139	3.3
122.07262	0.7
123.08072	51.5
123.11694	1.2
124.08403	0.5
125.09669	0.6
131.08626	1.1
133.10153	2.8
135.08061	3.7
135.11697	1.7
136.08899	0.4
137.09583	2.3
137.13275	0.6
145.10138	1.2
147.11723	2.4
149.09641	1.2
149.13220	2.6
151.11139	0.5
155.69820	0.4
159.11722	1.5
161.13269	0.9
163.11223	0.5
165.12718	1.2
167.14326	1.0
173.13272	0.8
177.12730	0.7
179.14320	36.4
193.15871	1.1
241.84854	0.4
275.20074	1.4
289.25449	0.6
298.25021	0.5
303.26749	0.8
307.22687	5.6
321.24191	0.8
331.26328	4.5
345.27914	0.6
360.99652	0.5
363.28934	100.0
364.29218	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	363.2136
Annotation	Cortisol
Peak:m/z	Relative Intensity
55.01864	2.1
57.07077	4.6
67.05486	0.7
69.07079	0.5
69.27101	0.5
71.08644	3.9
71.53840	0.6
73.02566	0.7
73.02924	7.7
77.00633	0.5
79.05498	0.7
81.07057	1.1
83.05006	0.5
85.10197	2.3
95.04959	0.4
95.08611	0.7
99.11775	0.5
102.75779	0.4
104.49728	0.4
105.00089	7.3
109.06551	0.9
109.91373	0.4
123.08092	1.5
129.01860	1.0
133.10165	0.7
137.09610	0.5
177.02200	1.8
179.14354	2.1
181.10036	0.5
181.21178	0.4
223.48778	0.5
226.76866	0.4
241.21739	0.8
314.55219	0.5
363.21439	100.0
363.28879	3.7
364.21661	2.5
387.66367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75722	0.3
53.03917	0.3
55.01865	0.5
55.05518	1.8
56.96538	0.6
57.03411	1.1
59.31237	0.3
65.84214	0.3
66.76416	0.3
67.05505	2.0
69.03413	0.6
69.07049	0.7
70.19224	1.4
71.08601	0.3
79.05495	1.7
81.03412	0.7
81.07039	1.9
83.04959	0.5
83.08613	0.7
86.06037	0.9
89.52827	0.3
90.90147	0.3
91.05494	2.8
93.07014	1.4
94.39317	0.3
95.04965	0.6
95.08587	1.3
97.06503	0.5
97.10157	1.1
98.97578	0.4
105.07018	1.2
107.04934	0.7
107.08594	1.7
109.06464	0.4
112.99989	0.5
115.05450	0.9
115.12048	0.3
116.98589	0.4
117.05756	0.6
117.07029	2.8
118.06543	26.1
119.08578	2.9
121.06544	0.4
121.10159	0.5
123.08044	0.5
125.09613	0.9
130.06522	0.5
131.08557	0.4
132.08080	2.1
133.08841	1.3
133.10063	0.5
134.09637	0.5
135.08051	1.2
137.09615	0.6
142.06512	1.8
143.07288	2.0
143.08406	0.5
144.08093	11.7
145.10118	0.8
146.06012	43.9
146.09592	2.1
147.06374	0.5
147.08002	0.6
149.09703	0.4
157.10110	0.5
159.08081	1.6
159.11723	0.4
160.07565	0.5
160.11241	0.3
161.09596	0.3
165.79591	0.3
169.02480	0.5
169.10185	0.3
170.06018	3.7
173.09616	0.7
176.14348	100.0
177.14697	1.5
188.07069	28.5
189.07510	0.4
189.11195	0.7
201.04416	0.4
215.14380	0.4
216.13881	0.7
234.14932	1.3
239.62849	0.7
261.18533	0.4
271.16928	1.0
282.44614	0.4
289.17978	1.9
345.20615	0.5
363.20853	32.0
363.65680	0.4
364.21078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97687	9.9
68.03925	11.9
70.19579	31.4
70.19968	24.5
71.08630	14.9
81.07045	16.8
93.42754	10.5
98.20906	18.2
107.08564	12.7
107.95968	12.0
108.30302	11.2
113.81250	11.4
117.56450	11.4
169.01410	17.4
184.00951	11.3
190.94174	11.3
191.10632	15.8
332.17926	12.3
363.19354	100.0
363.25217	14.2
363.29034	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	363.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.7
56.96553	32.9
57.07056	19.5
64.46373	12.1
67.05500	31.3
68.02331	9.9
69.07069	21.1
71.35871	15.7
73.64803	9.9
77.97010	9.0
79.05492	38.3
79.80022	9.8
81.07051	27.2
85.02882	11.6
85.06570	10.3
91.05452	18.3
93.07050	33.6
95.08653	25.2
98.21475	11.3
105.07029	19.3
107.08561	21.0
109.10142	15.7
119.08577	21.1
121.10139	14.8
123.08054	18.4
133.10098	14.0
135.11642	13.5
135.46481	11.2
136.17941	11.6
151.07561	13.0
157.10133	16.4
160.10419	12.7
179.14346	12.0
218.66747	11.3
219.13887	10.1
229.07489	40.0
247.08627	29.8
261.18527	25.8
326.10489	32.9
363.18469	100.0
363.25089	13.7
363.29190	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	363.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.8
56.96561	14.0
57.07053	7.0
67.05502	15.8
69.07069	10.6
69.23804	60.5
76.18446	6.0
79.05499	15.7
81.07046	16.4
91.05451	11.8
93.07047	10.9
95.05015	6.8
95.08622	13.6
100.34633	6.2
105.06984	7.7
107.08562	8.7
117.72915	5.9
119.08578	12.7
123.08026	8.1
131.08546	7.6
149.09564	7.1
173.37480	5.7
184.07417	6.8
229.07555	9.9
247.08482	9.9
363.19467	100.0
363.20987	93.5
363.28836	8.9
363.33127	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	363.1803
Annotation	Eremantholide B
Peak:m/z	Relative Intensity
51.98746	0.6
52.57738	0.7
53.03944	3.3
53.49068	0.8
55.01883	4.7
55.05516	3.7
56.96570	0.9
57.03436	2.8
65.03961	1.1
67.05506	3.1
69.03436	6.0
69.07071	2.6
71.05009	2.0
71.52819	1.0
72.08161	1.1
78.04716	1.2
78.65094	0.7
79.05499	7.0
81.03423	100.0
81.07053	4.7
83.04994	1.5
83.08638	1.6
84.08125	1.0
85.02907	2.3
86.09695	1.0
91.05489	11.0
93.07046	4.3
95.01350	3.5
95.04969	4.3
95.08598	4.3
97.02892	3.4
97.06552	1.2
97.10191	1.4
98.97659	0.8
99.04456	1.0
103.05487	2.8
104.06264	2.6
105.07034	12.4
105.07701	1.1
106.01400	0.6
107.04962	8.8
107.08601	1.7
109.02866	1.6
109.06586	1.1
115.05465	10.9
117.07020	3.9
119.04976	2.5
119.08586	3.3
121.06525	3.2
121.10128	1.1
123.04469	0.7
123.08104	1.9
127.03914	1.3
128.06244	1.5
129.07025	2.2
131.04942	6.8
131.08577	2.1
132.05699	0.6
133.06502	9.2
133.10158	2.9
135.11743	0.6
136.06218	2.5
137.05992	2.3
143.05055	0.8
143.08566	3.4
145.06520	3.2
145.10158	1.4
146.06131	0.6
147.04411	6.0
147.08072	2.3
147.11679	0.9
149.09622	1.0
155.08580	1.1
157.06551	1.4
157.10168	3.1
159.04419	3.9
159.08096	2.6
159.11748	0.7
160.05208	31.1
161.05995	27.5
161.08403	1.2
161.09615	8.4
163.11177	1.9
165.06949	0.8
169.06540	1.2
169.10130	0.9
171.08127	1.6
173.06020	11.4
174.06754	1.1
175.11215	2.8
185.09636	2.7
187.07565	5.8
187.89993	0.8
189.09065	3.6
203.10678	7.7
211.11304	0.7
219.11311	2.1
221.11816	2.4
225.12769	1.2
227.12794	2.8
231.11121	0.9
243.11430	1.1
243.13666	4.5
253.12256	1.3
271.13272	16.6
277.14362	0.9
289.14377	14.7
295.15396	4.7
327.16006	0.7
345.17004	3.1
348.20331	1.2
363.18066	76.0
363.21985	3.0
364.18475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78941	1.5
55.01860	1.7
55.05515	1.9
56.96565	16.8
57.03442	2.5
60.04514	4.3
61.02925	3.9
66.58317	1.6
67.05513	2.4
69.03432	8.3
69.07066	3.0
69.63283	2.8
69.63671	5.4
70.06604	8.3
71.04999	2.2
71.95304	1.7
72.08154	2.8
77.33801	1.4
81.03423	9.1
81.07055	2.3
84.08128	8.5
84.77650	1.5
84.96037	5.2
85.02906	20.1
85.06554	2.3
86.09693	7.5
87.04458	1.7
89.03932	2.4
91.05476	2.0
93.07078	1.9
95.04952	3.0
97.02885	6.1
97.06537	3.0
98.20779	3.7
98.97587	100.0
99.04491	1.4
102.05533	1.7
103.82629	1.6
107.08577	2.3
110.07189	1.9
110.97564	11.7
111.08136	1.7
112.99122	3.7
116.98624	39.4
119.08578	2.7
120.08154	3.2
127.03934	4.1
128.98630	9.9
129.10228	2.1
131.00148	4.2
132.08090	2.1
134.99683	8.0
135.04385	4.9
137.05995	2.0
143.00143	2.1
144.98196	2.2
145.02840	1.8
145.05020	3.2
146.99612	3.0
158.99652	15.3
161.01204	3.4
163.03915	17.1
164.04257	5.0
167.07062	2.3
170.99615	2.2
171.03241	1.8
173.04878	4.5
177.00739	17.3
188.07199	1.9
189.00656	2.6
191.05940	11.5
201.00629	2.6
201.04317	3.1
201.11107	2.4
215.05943	8.0
217.07388	3.0
218.99776	3.7
219.01772	24.4
219.05240	2.0
225.04359	3.1
230.67717	1.6
231.10669	2.7
233.06949	2.7
237.00647	12.6
237.02855	33.3
238.01057	3.2
243.05432	6.8
246.12245	2.1
255.01724	3.6
257.06985	3.5
261.06573	10.2
279.07526	5.2
303.07623	4.5
317.09012	9.3
322.64114	1.6
335.10141	21.2
345.09070	2.6
363.03644	2.7
363.10318	84.4
363.15390	2.9
364.10492	2.0
381.05142	5.9
381.10632	35.4
382.05066	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	362.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
56.05040	4.8
57.07078	4.1
58.06604	7.4
60.04517	1.7
62.21842	0.5
67.05492	1.6
69.07081	1.2
70.06614	0.9
71.08649	2.5
71.54459	0.7
72.08167	2.9
74.06088	4.4
81.07057	1.0
83.08617	0.5
85.10207	0.7
86.06067	4.3
88.07638	32.9
89.05994	0.6
91.05457	0.5
93.07072	0.6
100.07601	1.0
102.09179	0.6
104.07116	2.4
107.04963	0.7
109.10197	0.7
118.08669	1.1
119.08593	0.6
132.10226	9.2
133.10165	0.5
149.09631	0.6
162.11272	2.8
166.10802	2.4
178.73001	0.5
201.09705	0.5
256.26358	1.1
270.27939	29.0
282.28055	1.0
291.19696	1.2
300.28842	0.8
314.30609	8.9
344.31665	1.2
362.20294	3.1
362.32660	100.0
363.21390	5.9
363.32898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.6
57.07065	5.2
60.84876	1.1
67.05509	25.9
69.07062	5.1
70.06594	16.0
70.54354	2.4
70.54695	1.7
71.05005	1.6
71.08644	7.5
71.89286	1.4
72.08135	2.9
79.05489	4.2
81.07061	14.8
83.04990	1.2
83.08627	7.5
84.08141	2.3
86.09701	2.8
86.73655	1.1
88.07637	9.0
91.05487	4.5
92.35249	1.3
93.07046	7.3
95.04956	1.6
95.08627	6.0
95.82446	1.4
97.06532	1.9
97.10191	8.1
99.08092	5.1
102.09159	4.0
105.07032	2.6
107.08615	6.6
107.17632	1.1
107.29057	1.3
109.10167	30.8
111.08072	1.9
117.07124	1.3
119.08573	3.4
121.10159	2.1
125.09651	6.4
132.10246	6.8
133.10085	1.9
135.08047	3.2
135.11705	4.0
135.30319	1.2
137.09633	2.8
145.10178	2.0
146.11772	5.1
149.13280	3.4
151.11186	2.4
155.10672	13.6
163.11282	1.7
173.11748	32.3
187.13316	30.6
195.13893	6.0
203.12738	8.8
227.16447	3.0
256.26370	14.7
259.20602	1.7
277.21637	18.1
291.23251	3.1
295.22763	3.7
300.28986	31.9
309.24280	8.3
344.31805	2.0
349.69824	1.1
362.32663	100.0
363.33124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01860	2.1
57.03429	4.3
61.02920	6.1
69.03429	11.5
70.11344	5.3
71.05003	2.0
72.08173	1.6
76.02201	1.5
81.03413	7.1
82.28722	1.3
84.08168	1.6
85.02910	53.6
86.09708	2.0
87.04501	1.4
91.03909	3.2
97.02896	14.2
98.97594	6.2
99.04454	2.7
109.02880	4.4
122.02735	4.9
123.04436	100.0
127.03905	9.7
131.08524	3.3
137.05975	5.0
137.09686	1.7
145.04948	18.8
151.03925	2.4
159.08026	1.8
163.03912	2.9
163.06009	3.6
165.05490	86.1
165.09128	23.6
177.09123	3.0
180.08685	8.1
183.06546	18.8
184.10463	1.4
187.07590	3.1
187.14439	1.8
188.03825	1.8
200.09175	3.2
205.08687	1.6
219.01808	1.6
362.18732	4.6
363.10489	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1988
Annotation	Arg Trp
Peak:m/z	Relative Intensity
51.08510	0.5
57.07074	1.0
61.23600	0.7
70.70351	1.3
75.20541	0.5
87.92281	0.5
137.05792	0.8
149.02318	1.1
156.56035	0.5
193.04987	1.9
224.65741	0.6
273.14612	1.3
275.12558	2.3
330.27191	1.3
343.18829	14.1
361.19885	100.0
361.29080	4.5
361.79166	1.3
362.20309	1.4
364.34863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59593	0.6
67.05509	0.5
69.07064	0.9
70.77699	0.4
74.65225	0.4
81.07030	0.7
85.06528	0.5
93.07047	0.5
95.08599	0.9
98.21503	1.7
119.08590	0.7
121.10170	0.5
129.01848	1.2
133.10146	0.7
145.10144	0.8
161.13290	0.5
170.62973	0.4
185.08003	0.4
209.11514	1.4
249.14613	1.1
361.23499	100.0
362.23907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15122	1.2
67.05484	1.4
68.74887	1.0
69.45045	1.0
70.26962	3.8
70.63898	1.0
73.38875	1.1
76.60679	1.2
79.05478	1.1
81.07040	1.7
83.04979	1.7
85.06374	0.9
85.31774	1.1
93.07014	1.1
93.22601	1.0
95.04990	1.4
95.08610	1.3
98.21414	1.3
105.07029	2.2
107.08601	2.4
109.06545	1.1
121.10114	1.2
128.19690	0.9
129.01820	3.1
133.10101	1.8
134.62311	1.3
137.60558	1.0
145.39603	1.0
147.99690	1.0
185.08031	1.6
261.14682	4.7
270.04221	1.0
277.14233	4.8
279.51596	1.2
292.16473	18.1
295.01666	1.2
353.53806	1.1
361.09070	2.4
361.23471	100.0
362.23962	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	361.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73740	0.5
67.05508	1.0
68.62197	0.5
69.84084	2.0
69.84467	0.9
78.51617	0.5
79.05502	0.7
84.93790	0.5
86.09713	0.7
86.15944	0.5
89.63945	0.5
95.08595	0.7
98.20860	1.0
98.21407	0.8
104.10724	0.6
105.07052	0.7
121.10178	0.6
143.99678	0.5
157.39217	0.5
167.06088	0.5
331.12830	0.6
361.19861	100.0
362.20215	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1106
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
50.72389	0.6
56.96555	1.6
57.03421	0.9
61.02902	0.7
69.03418	2.4
69.07028	0.8
70.06588	1.7
70.50256	1.9
70.50621	0.7
72.08144	2.0
73.02917	1.0
74.06073	1.0
81.03412	1.1
81.07030	0.8
84.04495	1.1
84.08140	1.2
84.96061	0.9
85.02914	5.6
86.03181	0.8
86.09717	1.9
91.05473	0.8
97.02889	2.4
98.97578	4.0
105.07107	0.7
109.02856	1.4
110.07175	0.8
110.97601	1.0
113.05817	1.3
116.98576	0.8
119.01889	1.0
119.04955	0.8
121.06404	0.6
123.04390	0.9
127.03914	2.1
135.04396	1.7
136.04755	1.0
137.05939	2.1
145.02864	1.1
145.04953	1.9
146.03163	1.2
146.05263	0.9
151.03893	1.1
158.99678	1.1
163.03915	7.2
164.04230	8.7
167.07056	1.3
173.06569	1.2
173.09319	0.9
177.52272	0.8
179.03447	5.6
181.04941	2.5
182.05327	3.2
185.06570	1.3
191.07742	1.1
215.07663	0.9
219.01810	1.3
233.08569	0.7
233.91411	0.8
237.02847	1.9
253.09662	0.9
271.04144	0.8
275.11230	5.6
293.10742	2.1
299.10980	1.5
317.12091	37.0
343.09827	1.4
361.10995	100.0
361.14545	7.8
362.11258	1.1
381.04608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29837	4.1
54.30652	4.4
55.01859	4.7
55.05513	25.1
59.02378	3.8
60.52850	4.3
67.05511	100.0
69.07062	28.6
69.90336	12.9
69.90755	11.3
78.88633	4.4
79.05487	22.3
81.07058	34.1
83.04993	5.2
83.08649	21.6
85.06517	6.1
91.05476	21.5
93.07062	21.8
95.08610	26.0
97.06551	6.2
97.10163	28.4
105.07043	23.1
107.08601	57.1
109.10168	95.1
111.08140	6.8
117.07075	5.1
119.08601	21.0
121.10176	9.1
125.09637	25.4
131.08542	8.4
133.10110	15.2
135.08102	8.0
137.09641	10.7
141.79688	4.5
143.08604	4.8
145.10144	6.5
147.11719	8.7
149.09579	7.3
153.09074	8.1
155.10713	46.7
157.12318	5.1
159.11752	10.9
173.11752	77.0
173.13206	7.7
177.05777	4.0
177.12692	5.4
187.13303	92.0
195.13826	8.0
203.12816	37.9
239.18059	5.4
242.23828	4.5
257.19089	9.5
275.20081	49.7
289.21634	15.7
307.22534	10.7
350.87845	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28922	3.2
53.03938	4.0
55.01862	4.1
55.05518	39.3
55.56129	2.9
59.04990	3.9
59.56120	2.9
61.15329	2.7
67.05508	78.2
69.03433	6.1
69.07075	40.6
70.77479	4.6
70.77822	6.7
71.04996	69.7
73.06559	8.2
79.05071	6.0
79.05500	77.7
81.07060	39.4
82.15627	3.2
83.04975	4.5
83.08614	15.7
85.06567	3.5
91.05489	25.2
93.07050	77.8
95.04954	3.3
95.08610	33.4
97.06531	12.7
97.10175	37.7
105.07031	23.0
107.04961	3.7
107.08600	62.9
109.10162	60.5
111.08081	4.7
118.24862	4.0
119.08604	13.6
121.10147	72.4
123.11695	6.2
125.09634	24.2
131.08551	5.0
133.10158	12.6
135.11693	4.3
137.09651	5.7
145.10123	9.2
147.11719	8.8
149.09613	7.7
149.21278	3.6
153.12741	62.8
155.10674	41.5
159.11678	6.9
161.13251	3.9
171.10179	6.1
173.11745	100.0
179.14282	4.6
189.11237	40.9
208.44501	2.8
223.33635	3.4
239.17961	3.7
247.20590	3.6
257.19064	7.0
275.20090	65.6
293.21097	6.5
302.53580	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01865	5.8
55.05513	44.9
55.79406	2.7
57.03436	4.3
59.04996	5.6
67.05506	87.5
69.03437	4.1
69.07069	40.0
69.71098	11.9
69.71507	6.3
71.04996	100.0
73.06561	7.4
79.05499	79.0
81.07056	47.1
83.05016	4.5
83.08630	22.9
85.06524	5.7
87.08123	4.3
91.05474	27.6
92.91257	3.2
93.07047	93.5
93.07639	5.7
95.04970	11.9
95.08623	34.3
97.06536	11.2
97.10178	27.6
99.08096	5.9
105.07028	27.3
107.08604	58.0
109.06515	4.6
109.09482	5.5
109.10168	60.3
111.08098	9.6
117.07036	5.4
117.72090	3.0
119.08600	20.1
121.10146	85.1
123.08102	3.5
123.11698	4.7
125.09646	27.4
125.60754	3.4
131.08603	7.9
133.10109	16.8
135.08112	4.7
135.11722	7.9
137.09647	5.4
145.10118	11.8
147.11687	5.7
149.09627	11.9
149.13239	7.7
151.24071	3.3
153.12753	60.0
155.10675	42.6
159.11714	10.6
161.13229	7.3
171.10210	10.5
173.11751	89.2
173.13126	4.1
174.16071	3.3
177.12744	7.6
179.14305	4.8
189.11246	27.8
190.14381	3.3
193.68976	3.4
195.13847	8.6
209.15352	7.7
213.14731	4.3
227.16411	36.9
257.18979	10.0
275.20059	75.2
293.21130	7.8
307.22662	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14109	3.7
53.03935	7.0
55.01869	8.2
55.05511	61.3
56.96555	5.9
57.03426	9.4
59.04991	20.7
65.03922	4.2
67.05511	88.3
69.03427	14.8
69.07072	90.3
70.19939	6.9
70.20331	9.8
71.04996	100.0
76.05341	3.2
79.05497	64.9
81.03430	18.8
81.07056	76.5
83.04979	10.0
83.08623	33.1
85.02902	9.2
85.06535	10.9
91.05492	43.3
93.07046	51.4
95.04979	22.5
95.08612	41.1
97.02898	3.7
97.06528	49.4
97.10171	45.9
99.04554	3.4
101.05974	3.4
105.07037	33.9
107.04958	12.3
107.08599	54.4
109.06525	18.6
109.07163	3.5
109.10149	19.5
110.32455	3.0
111.08038	7.7
113.06018	4.8
115.07510	7.2
117.07030	13.2
119.08584	23.6
119.64767	3.0
121.06514	9.7
121.10132	23.3
123.08075	11.1
123.11711	6.4
125.09632	38.4
127.03939	4.5
129.07008	8.9
131.08569	21.0
133.10153	20.3
135.08064	10.8
135.11699	20.3
137.06001	6.0
137.09599	5.1
137.13245	3.4
143.08578	5.6
145.06488	3.6
145.10118	12.2
147.08066	3.3
147.11684	11.0
149.09628	14.4
149.13240	10.0
153.12746	6.9
155.08589	4.6
155.10664	5.1
157.10173	6.4
159.11722	17.1
161.13277	9.0
163.11169	9.4
169.10063	3.8
171.90932	3.2
173.11746	19.0
177.12766	12.3
179.14330	3.1
185.13254	3.7
187.11276	6.5
189.11278	29.5
189.12810	5.1
195.13809	18.8
209.15326	4.1
210.65726	3.1
213.14796	4.0
217.53914	3.4
223.13313	10.0
227.16418	64.5
257.19022	7.0
273.18542	8.6
275.20071	65.7
291.19577	10.1
292.12344	7.8
293.20981	4.3
307.22635	14.6
325.20206	5.2
360.23560	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01875	4.7
55.05505	9.6
55.48546	2.2
56.96579	1.9
57.03442	18.4
57.78138	2.1
59.82888	1.9
67.05502	15.4
69.03419	4.4
69.07069	10.7
69.20582	5.4
69.20994	12.9
71.04993	9.6
73.02931	2.4
79.05508	9.5
81.03426	29.7
81.07059	8.6
83.04984	6.4
83.08614	3.8
85.02909	12.2
86.03603	1.9
91.05502	9.6
93.07030	8.1
93.79265	1.8
95.04964	14.5
95.08608	6.3
97.06540	7.9
97.10156	4.5
98.97630	2.7
99.99264	2.0
105.07038	7.1
107.04950	15.7
107.08582	7.6
109.02771	1.9
109.06524	100.0
109.10145	8.7
111.04439	3.5
113.06039	3.1
115.07561	5.2
117.06990	3.2
117.35520	2.3
119.08553	4.8
121.06498	8.7
123.08073	3.8
125.09617	5.6
127.03927	3.2
129.06989	1.9
131.08522	4.3
133.10095	2.6
135.08049	5.6
137.05977	2.5
137.09634	4.1
145.04933	3.0
145.10158	2.4
147.07986	3.4
153.09111	9.1
157.10179	2.9
159.08052	9.2
165.09143	5.5
171.10178	24.2
171.11519	3.2
173.11755	5.5
189.11079	1.9
192.47916	1.7
201.64471	1.9
215.14265	1.9
217.12245	2.9
220.85811	2.2
233.15443	2.9
235.13335	11.9
237.14891	3.7
253.15860	2.1
267.09375	2.2
271.16983	4.8
279.03519	1.7
289.18024	14.7
294.37997	1.9
307.19003	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	360.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33694	1.7
55.01878	11.3
55.05502	1.9
56.05058	1.7
56.64623	1.5
56.96571	3.9
57.03446	11.2
61.02922	5.7
63.59522	1.7
64.51375	2.0
64.96984	1.8
69.03437	35.1
69.07067	2.8
69.59167	1.6
70.06597	6.6
71.05000	2.8
71.52177	3.2
72.08154	6.0
73.02916	5.5
76.34370	1.6
81.03412	4.3
84.04529	2.5
84.08147	6.6
85.02912	100.0
86.09711	8.0
88.03945	1.7
97.02908	40.3
98.97592	5.4
99.04460	6.2
101.02372	6.4
109.02883	6.9
110.07162	3.1
115.03999	2.7
127.02991	4.1
127.03930	79.9
129.10233	2.4
131.00165	1.8
137.05917	3.3
145.04976	65.6
147.07704	2.1
156.03326	11.7
158.99683	2.7
163.03899	4.8
163.06023	18.3
168.03365	7.6
174.04391	6.9
180.08740	3.6
181.04944	2.2
185.16547	1.9
186.04433	24.6
204.05452	12.5
228.05540	7.7
231.02960	2.0
246.06477	5.1
248.55536	1.9
249.03937	7.4
279.10059	2.1
297.11301	7.1
299.47446	1.8
360.05933	2.5
360.16562	3.8
360.24240	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	360.2132
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
53.03937	0.8
53.56706	0.7
55.01870	1.7
55.05511	8.3
56.05022	3.2
56.96560	1.4
57.03441	1.7
60.04519	1.4
61.09636	0.8
62.12411	0.7
67.05497	1.1
68.05029	0.8
69.03444	4.5
69.07058	2.7
70.06597	10.4
71.04982	1.3
71.52609	1.4
72.08160	100.0
73.02917	0.7
73.08489	2.3
79.05492	2.1
81.07040	1.4
83.04959	1.2
83.08619	1.2
84.04510	39.9
84.08171	4.2
85.02905	10.1
85.04848	0.8
86.09711	86.4
87.10034	2.4
89.40954	0.7
91.05469	2.0
93.07040	1.7
95.04926	1.1
95.08619	1.4
96.04461	1.2
97.02911	4.3
97.06578	1.0
98.97572	3.2
99.04440	1.4
102.04865	1.4
102.05547	24.6
104.05298	1.3
107.04948	1.2
107.08610	1.7
109.02882	1.5
110.07132	0.8
110.09704	1.6
116.07116	5.5
117.03394	1.6
117.10248	1.1
118.08666	17.4
118.09454	1.8
119.04907	1.1
120.08136	1.9
121.06502	0.9
124.11211	1.0
126.02544	1.2
127.03912	5.4
128.98601	1.3
129.06601	2.2
129.10217	2.0
132.10216	57.5
135.04385	1.9
136.07645	1.3
137.06018	1.8
138.06471	0.8
138.09146	13.0
141.04793	2.2
145.02875	1.8
145.04996	4.9
147.04373	1.4
147.07997	0.9
148.06012	1.6
155.11754	3.7
156.10194	9.0
158.99715	0.9
163.03914	13.7
163.05998	1.0
169.13348	1.8
170.11772	1.4
181.04999	6.7
183.11307	38.3
185.16525	6.2
197.12881	8.3
201.12357	41.3
201.83490	0.7
211.10788	13.1
213.16016	3.7
215.13910	11.5
217.13681	2.6
219.01666	2.4
221.11745	0.8
225.12321	4.2
228.13458	1.2
229.11838	14.5
229.13867	2.0
231.17055	4.6
237.02667	1.5
240.00708	0.9
243.13402	4.9
244.13620	0.8
245.13173	1.3
252.36879	0.8
261.14319	1.0
324.18973	0.9
325.12927	0.8
331.10699	1.1
339.71136	0.8
342.20251	3.2
360.17361	8.1
360.21063	1.7
361.09247	0.9
361.14603	2.0
361.18527	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
56.96577	0.6
57.03427	1.2
57.48055	0.4
61.02914	2.3
61.38527	0.4
63.02367	0.4
69.03429	4.3
69.88067	1.8
70.06580	0.9
71.04985	0.9
71.13570	0.4
72.08149	2.2
73.02895	0.9
73.08479	0.4
79.05507	0.5
81.03410	1.5
83.06097	0.6
84.04544	0.4
84.08148	0.9
84.96040	0.4
85.02907	15.2
86.09711	4.2
87.04457	0.4
87.10014	0.5
89.03912	2.5
91.03950	1.1
91.05482	0.6
97.02890	4.2
98.21452	0.6
98.97601	1.9
99.04448	1.1
107.04948	1.6
109.02885	1.3
117.03383	5.9
122.82117	0.4
127.03930	3.7
129.10161	0.4
132.10185	0.5
135.04430	12.1
137.05980	1.0
139.03899	0.8
145.02856	11.2
145.04951	4.9
147.04367	0.5
155.11592	0.4
158.99654	0.5
163.03908	100.0
164.04276	0.7
176.25069	0.4
180.08604	1.0
181.04961	44.1
183.11404	0.4
185.16498	0.9
193.05005	1.7
198.07585	0.8
213.16080	0.7
219.01897	0.4
220.94705	0.4
332.59512	0.5
360.13269	1.2
360.17209	0.6
365.05457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01880	9.1
56.18536	1.2
57.03203	1.1
57.03441	10.4
60.04497	1.9
60.57915	1.3
61.02922	3.2
69.03432	33.6
69.40830	11.2
70.06593	2.7
71.04993	2.1
73.02917	6.8
81.03408	2.5
81.22691	1.5
85.02908	100.0
87.04444	2.2
97.02897	37.2
99.04456	7.9
99.40664	1.4
101.02408	6.5
109.02882	5.2
115.03929	3.7
127.03925	82.2
145.04965	67.6
163.03943	2.3
163.06032	19.2
180.08659	3.9
198.09650	1.8
239.03430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
54.35289	0.4
55.01869	0.6
55.80985	0.4
57.03437	0.9
61.02919	1.4
65.12769	0.4
69.03431	3.1
69.84666	0.4
70.97073	1.0
71.05003	0.5
72.08143	1.0
73.02928	0.8
79.05505	0.8
81.03409	1.3
85.02911	12.5
86.09708	4.4
89.03896	3.1
91.03973	0.8
93.03397	0.5
97.02906	2.7
99.04475	0.6
107.04957	1.1
108.97956	0.6
109.02911	0.6
117.03393	6.1
118.08658	0.6
127.03938	2.5
135.04417	11.9
139.03891	1.0
145.02861	11.7
145.04944	3.6
163.03914	100.0
164.04256	1.0
176.14375	0.4
180.08636	1.2
181.04967	49.7
185.16481	1.0
189.00475	0.5
193.04942	1.0
198.07689	0.6
199.44897	0.4
250.89235	0.5
272.21133	0.5
298.48526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2067
Annotation	19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Peak:m/z	Relative Intensity
53.03944	8.7
55.01867	9.8
55.05513	35.1
56.96560	11.1
57.03435	7.4
57.07065	3.3
58.51985	3.2
59.04991	3.5
59.96811	3.2
64.33379	3.8
67.05506	61.9
69.03096	3.1
69.03433	39.7
69.07067	40.0
69.79558	16.5
71.04996	29.7
73.02915	5.1
79.05494	39.6
81.02969	2.1
81.03417	54.9
81.06596	5.4
81.07057	95.4
83.04987	31.0
83.08623	20.1
84.08144	3.4
85.02909	32.7
85.06559	17.2
86.09701	6.8
87.04485	5.0
89.95485	2.7
91.05476	43.3
93.07045	54.7
95.04994	16.5
95.08609	84.9
97.00555	2.8
97.02892	25.2
97.06528	41.1
97.10173	5.7
98.97555	5.6
99.04425	10.1
99.08120	7.5
101.05971	3.0
103.05503	3.5
105.07028	37.4
107.04917	6.6
107.08579	24.2
109.02885	24.4
109.06541	23.3
109.10157	31.0
109.85864	3.5
111.04432	10.2
111.08060	11.4
113.06013	3.5
113.09705	3.4
115.03945	4.2
117.07026	10.8
119.08583	43.4
121.06503	9.2
121.10180	17.3
123.04414	3.7
123.08070	12.7
125.09623	5.4
127.03901	26.5
129.06999	8.5
131.04892	2.9
131.08516	16.8
133.06491	10.0
133.10159	31.8
135.08037	12.6
135.11690	20.5
137.05989	23.2
137.09659	5.5
137.13232	9.9
139.07544	6.9
141.07036	4.1
143.08542	9.8
145.04965	5.4
145.06458	4.7
145.10124	9.2
147.08031	8.7
147.11722	7.1
149.05995	4.1
149.09641	4.2
149.13269	6.2
151.07541	21.1
153.09094	4.7
155.10573	3.7
157.10167	6.9
159.08090	3.9
159.11711	8.9
161.06013	3.8
161.09644	5.6
161.13251	46.5
163.03883	9.0
163.07497	4.1
167.07082	3.4
169.10178	4.3
171.08015	4.1
171.11694	4.3
173.02429	6.0
173.11736	16.7
173.13240	7.5
177.12764	3.6
179.10585	3.7
179.14340	35.9
183.11723	4.6
189.12820	5.3
191.14162	3.4
197.11707	3.8
197.15385	9.7
199.14859	3.3
201.12639	4.4
207.13791	5.2
209.15265	4.6
215.07018	10.9
215.14340	3.9
219.13779	4.5
221.15407	5.7
225.14862	8.2
233.15512	3.6
237.14861	22.5
249.14990	3.6
251.16414	4.7
259.09637	14.0
263.16418	10.7
267.09113	12.8
277.17938	5.9
285.10034	23.0
287.16327	14.9
297.06204	3.9
305.17517	34.1
323.18527	100.0
341.19608	48.8
359.12189	3.9
359.20148	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	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06916	1.5
52.77117	1.6
53.03936	5.5
55.01867	6.3
55.05508	22.9
56.96566	6.1
57.03450	7.7
57.07069	2.9
58.17165	1.6
59.04991	3.9
61.02932	2.5
65.03960	2.0
67.05511	23.1
67.93443	1.5
68.99789	2.9
69.03433	47.1
69.07070	100.0
70.07422	2.0
71.04990	10.6
71.54053	2.3
71.54427	1.5
73.02923	3.1
78.16235	1.5
79.05489	16.1
79.73934	1.6
81.03422	28.7
81.07055	33.8
83.04984	12.4
83.08622	8.8
85.02908	24.3
85.06541	18.9
87.00822	11.9
87.04464	3.4
91.05482	16.6
93.07044	30.5
95.04982	11.9
95.08607	24.5
97.02895	14.6
97.06528	17.1
98.97578	5.2
99.04453	7.8
99.08089	6.5
105.07037	21.5
107.04954	5.8
107.08600	23.9
109.02888	13.5
109.06533	9.1
109.09560	2.0
109.10178	18.4
111.04428	7.2
111.08086	45.9
111.11723	12.8
115.03935	14.0
115.05408	1.9
117.07024	7.6
119.08580	18.2
121.06509	11.6
121.10156	15.9
123.08045	9.1
123.11712	11.3
125.05992	2.0
125.09610	5.2
127.03927	12.2
127.11205	7.8
128.06204	1.9
129.01845	2.8
129.05490	2.3
129.07004	4.4
131.04935	2.9
131.08557	11.7
133.06500	3.0
133.10127	15.2
135.08067	7.0
135.11685	8.1
137.05977	12.1
137.09607	7.2
137.13260	2.2
139.07533	18.3
139.11195	11.5
141.06955	1.9
141.12723	13.4
143.00218	1.8
143.08574	7.3
145.02841	2.8
145.04980	2.9
145.06410	2.8
145.10139	8.7
147.08086	4.1
147.11716	8.6
149.09607	7.0
149.13266	4.5
151.07553	3.3
151.11220	7.2
153.09082	2.1
153.12784	3.1
155.08551	2.7
157.10118	3.2
159.02908	4.6
159.08055	5.8
159.11665	9.5
161.05988	1.9
161.09622	12.8
161.13223	8.0
163.03894	4.5
163.07506	2.3
163.11179	16.1
165.12726	4.3
165.18239	1.5
167.10696	3.1
169.12280	8.1
173.02417	2.6
173.09598	1.9
173.13278	5.1
175.11163	5.6
177.05496	4.2
177.09148	3.4
177.12793	7.6
179.10649	10.4
179.14241	4.5
181.12212	4.8
183.11690	2.4
189.03809	2.2
189.12753	1.8
191.14223	2.2
193.12328	1.9
195.10072	1.8
195.13809	4.5
197.11740	7.1
201.03987	4.8
201.12746	9.7
207.13779	2.1
215.06985	3.1
219.13843	19.5
231.05055	3.7
231.07747	2.2
237.14868	22.1
241.68842	1.6
255.15863	4.7
259.09558	7.3
267.09006	7.6
285.10031	9.0
297.16953	7.4
305.17426	3.3
308.11423	1.8
323.14987	33.9
323.18588	6.3
329.13449	1.7
339.10944	2.5
341.16196	10.7
341.19656	3.5
359.72433	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	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03942	0.5
55.01860	0.6
55.05502	0.8
57.03435	0.8
59.05000	0.9
61.02917	1.3
67.05500	0.7
69.03423	3.5
69.07043	0.8
70.06593	1.6
70.45580	0.5
71.04980	0.7
73.02907	0.7
75.46570	0.5
79.05497	0.7
81.03410	1.5
81.07061	1.3
85.02913	12.2
86.09718	4.5
91.05479	3.6
93.07046	6.4
95.04973	2.5
95.08602	0.6
97.02901	3.3
105.07047	5.3
107.08598	17.2
109.02865	1.4
109.06524	1.1
109.10182	0.8
119.08561	3.2
121.06496	2.2
123.04413	0.8
127.03897	2.4
131.04915	0.7
131.08665	0.6
133.10141	19.1
135.11699	18.6
135.12732	0.9
137.05980	2.0
137.09625	1.6
145.04951	1.8
151.11171	2.1
161.09633	9.2
167.10681	0.6
179.10681	34.7
197.11742	100.0
198.12016	1.6
200.13795	0.5
228.13437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17659	1.7
51.35800	1.7
53.03949	4.5
55.01869	7.9
55.05514	23.7
56.96555	6.9
57.03435	6.2
57.07078	3.7
59.04993	4.3
61.02926	4.5
61.61381	1.7
65.51913	1.7
67.05508	23.8
69.03436	43.1
69.07073	100.0
69.27962	17.6
71.01376	2.3
71.04986	13.7
73.02923	2.4
79.05505	12.5
81.03424	30.0
81.07063	29.4
83.04980	12.4
83.08621	8.3
85.02904	19.6
85.06561	15.2
87.00854	11.6
87.04477	4.0
88.84364	2.2
91.05486	17.0
91.78903	1.7
93.07051	30.2
95.04974	11.4
95.08607	28.1
97.02902	14.6
97.06528	11.6
97.10161	2.1
98.07001	1.9
98.97595	2.2
99.04472	8.2
99.08106	4.8
99.75057	1.9
103.05382	2.2
105.04539	2.1
105.07038	20.2
107.04971	5.3
107.08594	23.8
109.02906	11.9
109.06527	11.4
109.10156	16.3
111.04422	9.6
111.08088	44.5
111.11723	11.3
111.75468	2.0
113.06062	2.3
115.03935	11.4
117.07013	5.3
119.04973	1.8
119.08592	19.3
121.06519	10.3
121.10136	12.8
123.04427	2.4
123.08089	8.4
123.11753	10.2
125.05984	2.2
125.09648	3.8
127.03900	12.5
127.11200	6.9
129.01859	3.8
129.05490	3.3
129.06960	3.5
131.08591	11.9
133.06485	3.4
133.10170	14.5
135.08043	6.4
135.11707	11.8
136.85411	1.8
137.06007	14.6
137.09615	7.1
139.07530	16.0
139.11191	11.4
141.07028	2.2
141.12744	11.8
143.08566	6.4
145.04909	2.2
145.10095	9.7
147.04401	2.1
147.08109	4.6
147.11694	8.7
149.09602	6.0
149.13251	3.0
151.11169	7.3
153.12759	2.5
155.10695	2.0
157.10159	5.1
159.08034	5.8
159.11746	11.4
161.09633	8.6
161.13257	6.1
163.03954	2.2
163.07529	2.4
163.11179	14.2
165.12753	6.8
167.10637	3.8
169.12259	7.3
172.11176	2.1
173.13264	5.3
175.11215	4.3
177.05418	2.6
177.09087	2.8
177.12691	9.5
179.10683	7.6
179.14288	4.7
181.12247	3.4
183.11696	3.0
191.14331	4.2
195.13834	3.1
197.11742	6.4
201.03940	5.0
201.12755	7.9
207.13921	2.2
219.01817	2.5
219.13762	16.4
231.04980	5.6
237.14893	21.1
255.15865	5.4
267.09039	5.0
273.10083	4.7
285.10242	3.5
297.17023	5.9
304.81769	2.0
305.17523	2.8
315.11093	2.3
317.24356	2.2
323.14996	28.3
323.18457	4.1
341.16098	12.4
341.19595	3.7
359.23254	3.1
359.72437	4.6
360.19202	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
54.82718	0.4
55.01870	0.8
57.03438	0.7
61.02919	1.2
62.95241	0.3
67.05503	1.1
68.60151	0.4
69.03422	3.4
69.07059	0.7
69.62627	0.8
69.63033	1.6
70.06577	1.0
73.02932	0.5
78.91740	0.4
79.05482	1.4
81.03410	1.3
81.07044	2.0
85.02910	10.9
86.09713	9.5
87.04471	0.4
87.05592	0.6
91.05485	3.5
93.07049	5.0
95.04996	0.7
95.08605	1.2
97.02895	2.4
103.05476	0.4
105.07035	5.9
107.08600	27.3
109.02863	1.4
109.06508	1.2
109.10151	1.3
119.08573	4.3
119.69736	0.4
121.06487	0.8
121.10151	5.9
123.11692	1.1
125.09641	0.5
127.03910	1.5
131.08571	0.9
133.06464	0.8
133.10141	18.1
135.11723	0.6
137.05954	1.5
137.09616	0.8
139.07545	1.1
139.11116	0.5
141.10217	0.6
143.08560	0.9
143.11784	1.2
145.04962	1.3
149.09604	3.3
151.07532	1.2
151.11194	6.5
161.09641	5.8
167.10696	13.5
179.10677	13.2
189.12288	0.8
197.11743	100.0
198.12097	1.1
200.13924	1.7
228.13409	1.1
245.18831	0.4
271.05850	0.5
359.12711	0.9
359.16849	2.5
372.74838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	2.2
55.01875	1.0
55.05509	1.4
57.03430	3.4
61.02927	5.4
67.05501	2.6
69.03429	10.6
70.06589	0.9
70.91360	1.8
71.04999	1.4
72.08169	4.6
73.02895	1.5
74.72710	0.7
78.57440	0.7
79.05484	2.0
80.42845	0.8
81.03417	5.3
81.07032	2.0
84.04547	0.8
84.08144	1.2
84.93582	0.9
85.02910	34.9
86.09702	5.2
87.04469	1.9
91.03948	1.6
91.05479	5.2
93.07048	4.4
95.04963	1.6
95.08607	1.9
97.02900	12.2
97.06507	1.1
98.97626	1.2
99.04479	1.9
105.03404	1.9
105.07026	6.4
107.08601	52.4
109.02870	2.6
109.06506	2.2
109.10158	9.3
119.08578	2.9
121.06499	3.5
127.03925	6.7
129.10220	0.9
131.04916	1.2
133.10139	23.2
135.11700	8.8
137.05965	3.5
137.09622	7.4
143.11816	2.1
145.04967	9.3
145.71532	0.9
151.11198	4.1
161.09590	6.2
163.07590	1.0
177.33018	0.9
179.07036	0.8
179.10696	21.7
189.12387	0.9
197.11739	100.0
198.12231	0.9
200.29402	0.8
209.04945	0.9
273.17746	1.0
340.27588	0.9
344.52954	0.8
359.12531	1.5
359.16785	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	359.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35543	0.7
53.03938	0.7
55.57624	0.7
56.96558	0.8
64.71059	0.6
65.19495	0.6
67.05464	0.8
69.03417	1.2
69.37289	0.7
69.38857	4.9
70.06584	1.3
73.02895	0.7
79.05465	0.8
81.07071	1.4
85.02903	1.2
86.09726	6.0
87.10036	2.3
91.05461	1.0
95.08611	1.3
97.02916	0.8
97.06515	1.9
97.08070	0.7
98.21526	0.8
98.97551	0.7
105.07020	1.3
107.08614	1.0
109.10144	0.9
111.29897	0.7
131.04979	0.7
137.06007	3.8
155.99210	0.7
175.07576	1.0
179.14389	0.9
197.11772	0.9
199.18094	1.2
200.18619	0.8
200.25584	0.7
237.42743	0.7
268.75998	0.7
269.13565	0.8
271.04309	0.8
273.13358	1.4
289.14426	0.8
315.14194	13.6
359.13138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05486	0.8
66.36978	0.5
69.03423	1.3
69.07076	0.9
69.11845	0.5
70.06604	1.2
70.84509	1.2
70.84879	1.0
71.36554	0.5
72.08143	2.2
79.05502	1.1
81.03426	0.6
81.07061	1.2
82.65234	0.5
83.04964	0.6
85.02906	1.0
86.09717	6.5
87.10040	1.1
91.05481	1.1
93.07072	1.4
95.08619	0.8
97.02878	0.6
98.97568	0.8
99.57440	0.6
103.05486	1.1
105.07065	0.7
109.02851	0.7
116.10694	0.6
119.08551	0.8
121.10179	0.6
124.22335	0.6
127.00035	0.7
131.04932	1.8
137.05969	3.4
144.02911	0.5
145.03392	0.7
146.11751	0.6
161.05963	0.7
163.07538	0.6
173.02933	0.6
178.05037	1.0
179.07008	0.6
197.11646	0.6
199.18092	0.8
199.42047	0.6
200.18495	0.7
219.85918	0.7
227.05373	0.8
227.21452	0.6
242.46349	0.5
269.13657	4.3
271.04095	0.8
273.13046	1.5
291.12854	1.0
315.14212	11.7
359.13129	100.0
360.13376	1.6
377.28824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.2
56.24896	5.6
57.07073	7.5
63.44213	6.3
65.67520	6.9
67.05496	23.7
69.07063	25.1
70.07401	8.7
70.15391	23.9
70.15741	9.6
71.05000	13.4
79.05479	15.9
80.05805	8.2
81.07065	91.7
82.03439	5.6
82.07390	21.8
82.33315	5.8
86.63412	7.6
91.05481	13.3
93.07051	45.1
94.07385	12.4
95.08612	47.8
96.08932	18.4
98.20889	7.2
105.07053	33.1
106.07375	13.9
107.08590	36.6
108.08930	13.5
109.10168	44.9
110.10465	30.4
119.08576	45.4
120.08922	15.8
121.10146	45.7
122.10483	15.2
123.11730	14.2
123.50379	6.0
124.12067	13.3
127.11182	15.4
133.10168	13.8
134.10469	13.0
135.11691	24.3
136.12074	6.7
139.56653	7.2
146.10434	7.1
147.11703	19.6
148.12053	16.7
149.13251	37.2
150.13589	28.3
154.07907	6.1
159.11664	7.6
161.13272	21.8
162.13606	25.9
163.14861	11.7
164.15190	8.5
174.13664	9.6
175.14857	9.1
176.15186	8.3
190.16763	13.2
191.17993	7.6
192.18361	7.2
203.18063	7.9
204.18311	13.5
217.19569	24.7
218.19864	25.2
272.24664	7.8
276.06247	5.9
320.51590	6.7
340.30655	33.3
358.27469	8.8
358.31873	100.0
358.36832	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.1
55.05519	26.2
57.07066	10.0
60.99974	3.4
65.87111	3.2
66.81382	3.2
67.05178	6.0
67.05509	87.7
68.05836	4.6
69.07074	25.6
69.96143	17.4
70.06577	5.9
71.04996	74.4
71.08634	10.0
79.05514	24.3
81.03413	8.4
81.07063	100.0
82.07394	10.6
83.08614	9.4
85.10191	4.7
88.07635	11.0
91.05495	23.6
93.07039	40.2
94.07386	5.5
95.04963	8.3
95.08610	55.7
96.08926	9.6
97.06523	7.8
97.10139	6.4
98.20766	4.8
105.07007	22.2
106.07338	8.4
106.08631	3.8
107.08595	33.3
108.08939	10.2
109.10168	74.5
110.10477	4.7
111.08061	8.0
111.11704	4.3
113.09538	3.8
117.07008	4.4
119.08578	25.3
120.08904	6.7
121.10169	23.4
122.10506	7.7
123.11720	25.0
124.12091	5.0
125.09618	10.3
131.08557	8.0
133.10115	13.4
135.11700	14.2
136.12041	4.3
137.09628	10.8
139.11162	6.8
145.10097	4.9
147.11678	12.9
148.12068	7.7
149.13231	12.5
150.13553	10.6
151.11188	5.0
153.65521	3.4
155.10715	20.3
155.14308	23.0
159.11639	9.4
161.13210	6.0
162.13635	5.4
163.14822	6.2
164.15215	8.8
173.11763	75.9
173.13210	4.7
176.15173	4.6
177.12718	4.3
187.13304	21.4
187.14763	4.5
203.17836	5.0
204.18266	5.3
211.47142	3.9
216.18324	4.2
217.14163	4.4
218.19858	4.7
277.21606	47.1
309.24243	27.7
340.30811	10.5
340.35641	4.6
358.24655	4.6
358.31882	39.5
358.36774	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15573	3.9
53.03939	4.5
55.05516	32.6
57.07069	11.1
67.05180	5.6
67.05511	53.7
69.07079	18.7
69.31993	36.5
70.06594	10.3
71.04996	70.0
71.08630	25.0
79.05504	33.4
81.07060	74.5
81.15258	4.1
83.04978	15.3
83.08621	15.0
85.06525	8.5
88.07619	15.7
91.05482	24.6
93.07050	63.8
95.04967	10.8
95.08602	43.2
97.06525	13.5
97.10172	11.4
99.08097	22.1
100.11248	7.9
105.07034	22.3
106.08692	5.4
107.04961	4.2
107.08604	29.2
109.06551	5.1
109.10143	13.0
111.08111	5.0
117.07011	10.9
119.08572	15.6
121.10138	15.1
123.08045	4.6
123.11709	7.3
125.09568	6.0
129.06979	3.8
131.08569	11.5
133.10129	21.0
135.11696	23.2
139.11176	26.1
145.10141	9.9
147.11722	9.8
149.13260	17.1
151.11208	12.7
157.10095	4.6
159.11690	27.6
161.13258	10.7
170.67126	4.6
171.11671	4.8
173.13330	5.9
175.14851	6.5
177.12753	39.6
193.12100	5.1
206.08060	6.9
209.15408	12.6
217.19540	5.5
241.17827	25.4
259.20560	10.9
277.21622	38.3
291.23184	16.4
309.24359	8.8
320.18765	3.8
323.25775	4.6
340.35724	7.9
358.36823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01859	9.2
55.05515	17.7
57.03431	14.7
59.05010	3.4
67.05505	45.4
69.03425	5.0
69.07072	69.4
70.14777	12.1
71.05001	35.5
73.02902	8.8
79.05071	4.5
79.05500	56.9
81.03422	24.4
81.07059	58.0
83.04978	7.8
83.08617	9.9
85.06557	7.9
91.05482	29.7
93.07043	38.4
95.04984	31.4
95.08604	24.4
97.06537	100.0
97.10136	2.9
99.08098	6.0
105.07021	22.2
107.04945	7.7
107.08617	22.7
109.06522	35.7
109.10135	9.1
111.08098	9.0
115.07578	53.1
117.07035	12.7
119.08578	19.0
121.06517	8.1
121.10152	13.3
123.08086	4.9
125.09653	3.1
129.07034	8.6
131.08585	16.5
133.06505	3.3
133.10147	12.8
134.75127	3.3
135.08069	11.6
135.11673	14.8
137.09573	4.8
143.08606	5.5
145.10117	19.8
147.11682	6.6
149.09636	4.4
149.13274	11.1
153.09183	3.9
157.10123	10.1
159.11633	15.6
161.09660	4.0
163.11208	3.2
171.11761	4.1
173.13367	4.1
175.11186	5.0
177.12782	8.9
181.12273	3.9
185.13336	4.7
193.12259	12.9
201.12585	3.4
209.94627	3.1
217.15987	5.1
219.13756	3.7
220.31252	2.8
227.18146	4.4
233.15428	6.1
273.18558	9.7
291.19641	6.0
305.20990	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	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
53.08550	1.5
55.01856	3.2
55.05502	6.7
57.03438	8.2
59.04986	1.5
67.05511	15.9
69.07075	26.7
69.78120	5.9
69.78527	3.1
71.04998	8.8
73.02919	2.8
79.05495	26.1
81.03413	9.0
81.07051	18.2
83.04965	3.5
83.08610	4.0
85.06538	3.1
91.05504	11.9
93.07048	14.3
95.04979	12.3
95.08600	9.5
97.06535	100.0
99.08094	6.6
105.07037	10.3
107.04956	4.4
107.08595	7.3
109.06526	5.2
109.10136	5.4
111.08104	1.8
115.07572	11.9
117.06998	6.2
119.08559	5.6
121.06502	2.3
121.10123	4.5
123.08044	2.5
127.79036	1.4
127.94844	1.5
129.07007	4.6
131.08549	6.7
131.09445	1.6
133.10115	7.6
133.99361	1.8
135.08023	2.9
135.11697	4.5
143.08563	3.4
145.10094	4.7
147.08031	1.9
147.11716	2.6
149.13229	4.4
151.11226	2.4
157.10115	3.0
159.11711	9.2
165.12753	1.5
173.13210	2.5
175.11072	1.5
177.12759	5.4
185.13248	1.9
195.13774	2.4
201.12706	1.9
271.58502	1.4
273.18536	3.9
291.19537	3.1
305.21136	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68099	2.9
53.03948	8.5
55.01869	11.6
55.05265	4.6
55.05514	45.4
57.03428	10.8
57.07062	5.8
59.05022	3.6
61.31314	2.6
62.89459	2.7
65.03918	5.2
67.05507	86.6
69.03433	4.8
69.07075	43.5
70.03318	5.5
70.03734	11.4
71.01347	19.0
71.04984	6.5
79.05501	63.4
80.31311	3.0
81.03076	3.2
81.03433	32.7
81.06596	5.5
81.07061	100.0
83.04998	20.5
83.08635	16.7
85.06535	9.6
87.04453	6.5
88.07600	5.1
91.04913	3.8
91.05483	72.9
93.07054	61.5
95.04964	31.1
95.08617	46.1
97.06572	18.2
97.10146	7.4
99.08109	5.6
105.06406	3.9
105.07040	45.5
106.45799	3.9
107.04965	10.7
107.08613	36.2
109.06505	12.7
109.10149	18.8
111.08076	5.6
117.06996	12.1
118.14690	2.9
119.08598	33.8
121.06536	5.4
121.10159	19.1
123.08047	14.9
123.11705	10.5
125.09666	2.9
129.07007	10.5
131.08592	23.6
133.10146	33.9
135.08046	8.7
135.11703	23.3
137.09601	6.8
139.11314	3.2
143.08568	3.6
145.10127	8.2
147.08095	4.7
147.11655	18.7
149.09634	8.5
151.11136	6.0
157.10098	9.8
159.11702	5.0
163.11235	3.1
173.13205	3.8
175.11154	5.9
275.20044	11.8
291.19516	8.0
297.20291	3.0
335.80322	2.9
358.36349	32.4
367.79123	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	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.8
55.05519	48.0
56.96559	7.7
57.03431	10.7
57.07074	5.6
59.29132	3.7
65.03940	5.5
67.05511	100.0
69.03421	7.1
69.07082	40.8
71.01352	10.6
71.04996	9.7
71.36299	8.3
79.05501	62.1
81.03413	37.3
81.07066	72.9
83.04980	22.8
83.08632	22.0
85.06527	3.6
87.04462	5.0
89.08020	3.2
91.05487	60.7
93.07059	54.8
95.04985	20.0
95.08620	45.6
97.06555	9.7
97.10162	21.4
105.07040	40.5
107.04926	5.7
107.08600	38.4
109.06506	9.6
109.10164	22.7
111.07999	5.7
115.05454	5.5
117.07009	12.6
119.08584	26.7
121.10159	23.8
123.08083	19.5
123.11702	4.5
125.09655	21.1
129.07019	5.1
131.08566	17.1
133.10136	28.8
135.08054	8.8
135.11682	12.9
137.09616	4.6
139.11201	4.4
143.08473	3.7
145.10103	11.4
147.11711	8.8
149.09579	7.1
155.10674	4.4
157.10120	8.7
159.11734	7.1
165.12720	4.8
193.12245	5.9
203.12819	13.2
223.59839	3.7
260.25070	3.6
275.20117	20.9
289.21637	6.9
317.17908	11.3
335.19073	21.1
358.16467	4.5
358.36032	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	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05515	69.7
55.87093	4.2
57.03432	13.9
57.07080	36.3
61.86997	4.4
67.05506	85.3
69.07076	95.2
71.04990	8.4
71.08634	22.4
71.55029	5.1
72.08141	7.3
73.06570	4.3
79.05489	45.7
81.07065	98.0
83.04970	15.9
83.08623	77.5
85.06538	9.5
85.10175	9.5
93.07044	51.9
95.08064	7.8
95.08617	100.0
97.06543	27.9
97.10179	43.8
105.07056	8.3
107.08607	52.9
109.10164	50.0
111.08083	13.3
111.11718	16.0
119.08579	6.5
121.10154	86.2
123.11723	17.9
123.23528	4.6
125.09655	9.3
132.79149	4.1
135.11705	65.1
137.13242	4.6
139.11159	8.9
146.70598	4.8
147.08037	4.5
149.13292	29.2
151.14810	11.7
153.12779	6.7
163.14841	16.9
165.16473	9.8
177.16406	6.7
191.17987	6.1
219.80164	4.3
221.15190	4.4
247.24261	64.5
264.86612	4.0
265.25287	87.7
283.26398	7.7
339.28970	73.0
357.30917	7.7
357.35583	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	357.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05510	0.5
56.96557	0.7
57.03429	0.4
57.07083	0.4
67.05499	1.1
69.03419	1.2
69.07063	0.8
69.37442	3.1
70.06580	0.5
72.08135	0.4
79.05500	1.3
81.03424	0.6
81.07063	2.0
83.04989	0.4
84.04498	0.8
84.96043	0.4
85.02890	0.7
86.09709	0.6
91.05476	1.1
93.07047	1.5
95.04966	0.7
95.08616	1.0
97.02883	1.0
97.06538	0.7
98.97585	1.5
105.07022	1.3
107.04958	1.5
107.08599	1.5
109.02878	0.6
109.06505	0.6
109.10165	1.0
109.38170	0.4
111.04486	0.3
111.08035	0.4
116.98606	0.6
117.03400	0.4
118.06033	0.4
119.08559	0.7
121.10205	0.7
123.08107	0.5
123.11694	0.6
130.05000	0.6
131.08551	0.6
133.10121	1.5
137.06024	3.4
142.07742	0.4
145.02846	0.5
145.10112	0.5
147.08031	0.6
151.03993	0.6
158.99692	0.5
159.11687	0.4
165.12865	0.5
167.07091	0.6
175.07610	0.4
177.05475	1.2
187.11804	0.5
189.05627	0.4
190.07866	0.4
201.00812	0.4
203.07137	0.4
216.52850	0.4
219.01834	0.5
221.05444	0.4
258.91559	0.4
277.08890	0.4
307.09781	0.5
313.13773	0.6
329.13889	0.5
339.12354	0.7
339.17828	0.5
357.09973	2.0
357.18839	100.0
358.19196	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	357.1335
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01875	22.5
55.05508	3.6
56.96558	5.0
57.03448	2.8
61.02928	2.5
62.10748	1.5
65.03940	3.6
66.04717	1.7
67.05510	8.3
69.03434	5.2
69.07082	2.3
69.29465	1.6
70.06604	1.9
71.27383	2.9
75.70370	1.6
79.05502	10.8
81.03429	6.0
81.07057	11.3
83.04986	2.3
83.08599	4.1
85.02901	5.2
85.06527	1.8
87.81069	1.9
89.03931	2.6
91.05470	9.6
93.03405	5.0
93.07056	4.5
94.04186	7.3
95.04966	5.5
95.08615	4.3
96.85454	1.5
97.02906	5.3
97.06550	3.9
97.10143	1.7
98.21540	1.6
98.97598	4.5
102.04675	1.8
103.05462	7.7
105.07046	7.0
107.04962	4.3
107.08619	2.3
109.06529	9.8
109.10174	3.5
111.04456	5.1
111.08140	1.5
115.05484	6.2
116.98639	2.4
117.03400	3.4
117.06985	2.5
119.08595	4.3
121.06500	2.3
121.10155	3.4
122.03662	15.4
123.08055	3.4
125.06005	3.8
129.07042	2.3
130.04199	2.2
131.04932	8.1
131.08615	2.0
133.06444	3.0
135.04430	3.3
135.11676	2.3
137.05984	82.1
143.04971	4.6
144.05702	2.7
145.06459	3.0
145.10167	2.5
146.03641	5.4
147.04453	4.4
149.06009	4.8
151.03928	2.8
153.05495	2.6
155.04922	4.2
159.04524	1.7
160.05238	3.1
161.05992	27.4
162.06787	5.4
163.03914	2.2
163.07581	4.0
165.05496	37.1
165.06900	3.4
171.04489	4.1
172.05235	2.7
173.05899	2.1
175.07555	5.9
177.05484	13.1
177.06818	2.4
178.07823	3.2
179.08517	4.3
181.06529	3.3
183.04480	2.7
185.05910	2.3
187.07573	4.7
189.06989	7.5
190.07777	10.7
191.08551	16.2
194.07344	3.3
195.08258	2.1
201.07082	2.8
202.07828	2.5
203.07043	6.7
203.08737	2.4
205.06535	3.7
206.07317	3.7
207.08148	9.3
208.08810	6.1
211.13251	1.9
215.06975	11.0
217.06461	4.3
218.07289	20.2
219.08049	30.8
220.08781	3.4
221.05992	4.7
223.07724	2.2
224.08307	2.1
229.06490	10.1
231.08099	3.4
233.09601	4.0
234.06865	8.1
235.07573	18.5
236.08376	10.8
237.05482	2.2
237.09082	2.4
241.07536	1.9
245.06105	3.6
246.06779	19.7
247.07562	31.6
248.08350	4.3
249.05359	2.7
249.09160	12.4
250.06274	3.5
251.07047	4.4
251.10802	5.9
252.27347	1.7
253.08650	3.1
257.06128	8.8
259.08255	3.6
261.09119	33.4
262.06259	5.2
263.07016	16.4
264.07828	16.5
265.08673	6.3
267.09671	6.1
269.12503	3.1
273.04013	2.4
274.06281	14.6
275.07059	18.0
276.07822	4.7
277.08612	25.3
278.09396	10.0
279.10181	17.8
281.08224	2.9
284.10797	2.2
285.10092	6.4
289.08603	50.1
290.09451	5.3
291.06519	6.7
292.07285	7.2
293.08118	4.7
293.11639	2.6
294.08737	8.1
295.09665	6.3
306.08887	12.8
307.09653	100.0
308.10349	5.1
309.07700	3.2
309.11215	18.1
311.12842	2.5
313.07013	2.6
321.11234	82.6
322.11792	2.2
324.09927	3.2
327.12363	26.4
339.12238	49.1
340.13193	1.7
357.13312	5.1
357.24347	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	357.1333
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03938	1.4
55.01876	12.9
62.45034	1.5
65.03934	5.1
67.67551	1.2
69.03412	1.7
70.78216	3.7
79.05472	4.0
81.03411	1.3
81.07059	2.6
86.09653	1.7
91.05467	5.5
93.03414	5.4
94.04171	6.8
95.04945	2.4
96.43411	1.6
98.96843	1.4
98.97572	1.2
101.37217	1.3
103.05457	4.6
105.07026	3.9
107.04927	3.4
107.08609	1.8
109.06525	2.4
109.10165	2.2
111.04450	4.7
114.62486	1.5
115.05437	5.9
117.03383	2.4
122.03663	14.3
125.05996	3.6
127.04053	1.3
130.04150	1.4
131.04936	6.0
132.05692	1.5
133.06500	1.5
137.05991	100.0
143.04924	3.4
144.05716	3.2
145.02841	3.4
145.06474	1.6
146.03619	6.7
147.04417	4.2
147.08070	1.8
149.05946	4.2
151.03865	2.9
153.05482	4.2
155.04926	4.4
160.05206	2.6
161.05980	20.1
161.15089	1.4
162.06725	3.8
163.07542	3.5
165.05504	28.1
165.06906	4.1
171.04410	2.2
175.07553	10.0
177.05443	9.5
178.07852	3.6
179.08560	5.5
181.06496	3.5
183.04361	3.1
183.08131	1.4
185.05940	2.1
187.07504	4.1
189.07018	7.5
190.07785	10.4
191.07080	2.1
191.08566	15.2
193.06479	1.8
194.07127	1.4
195.08012	1.7
197.05804	1.9
198.31001	1.7
200.04865	1.4
201.07069	2.1
202.07739	4.0
203.07002	9.4
203.08609	2.2
205.06487	4.7
206.07356	3.3
207.08029	10.5
208.08804	2.8
215.06976	9.0
215.08736	1.6
216.18347	1.6
217.06491	4.0
218.07300	18.1
219.08064	26.6
219.12610	1.4
220.08746	2.2
221.05978	4.6
222.06816	1.7
223.07649	1.6
229.06506	7.5
233.06044	1.4
233.09616	3.3
234.06758	7.4
235.07552	16.7
235.12804	1.4
236.08257	7.6
237.05452	1.8
237.08981	2.2
245.06021	2.9
246.06769	15.7
247.07561	20.6
248.08322	5.9
249.05450	1.7
249.09084	10.1
250.06068	2.0
250.10045	1.6
251.07079	5.3
251.10686	5.5
252.07774	2.3
253.08510	1.8
257.05957	7.2
258.06781	2.0
259.07742	2.8
261.09149	25.5
262.06323	5.2
263.07101	14.8
264.07816	10.2
265.08713	6.6
267.10138	3.8
269.08212	1.8
274.06281	11.3
275.07043	14.9
275.89536	1.3
276.07999	1.9
277.08652	22.4
278.09521	6.7
279.06992	1.9
279.10123	15.3
280.07343	2.1
289.08624	41.9
290.09381	4.5
291.06540	3.8
292.07278	3.5
293.08154	1.9
294.08994	8.0
295.09698	6.4
306.08826	10.0
307.09668	71.8
308.10248	3.1
309.11188	20.1
311.12817	2.5
321.11246	56.7
324.09857	2.3
327.12311	27.5
339.12332	40.4
357.13303	4.6
357.17786	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	356.3524
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03943	0.3
55.05514	7.3
56.09372	0.2
57.07084	1.6
58.06602	0.5
62.06076	0.4
65.22585	0.2
68.04996	0.2
69.07074	6.1
70.06596	10.5
70.43075	0.5
71.08622	0.6
74.06091	0.3
81.07038	0.3
83.08627	2.7
86.06059	0.3
88.07635	14.9
93.30771	0.2
97.10171	1.1
98.21381	0.3
102.09188	3.2
106.08671	8.3
111.11681	0.2
235.87897	0.2
312.32687	1.2
338.30643	0.2
338.34177	6.6
347.42084	0.2
356.35229	100.0
357.35556	2.0
362.61444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05507	1.5
57.03426	1.3
61.02932	0.6
67.05502	3.3
69.03417	2.5
69.07061	2.8
70.06597	3.0
71.04986	1.1
71.54129	1.0
72.08134	1.2
76.93205	0.6
79.05480	1.9
81.03416	1.4
81.07065	4.4
83.04971	1.4
84.08125	1.3
85.02898	1.8
86.09701	2.7
87.00866	0.7
91.05495	4.4
93.07034	1.5
95.04994	1.6
95.08583	1.7
97.02893	1.5
97.06552	1.1
97.07153	0.6
98.97591	1.3
99.04434	0.9
103.05453	0.7
105.07017	2.6
106.71903	0.6
107.04993	0.8
107.08582	1.5
109.02869	1.5
109.10197	1.4
111.04487	1.1
119.04925	1.6
119.08578	1.4
123.04371	0.6
125.09623	1.3
127.03904	0.8
129.10239	0.9
131.08551	1.1
133.10123	0.8
137.05991	4.4
137.09550	1.0
145.02765	0.8
145.10147	0.7
147.04437	4.8
147.11694	2.1
148.04749	1.5
152.51314	0.6
165.12770	1.9
172.03963	1.1
177.05452	3.1
188.67700	0.7
203.07056	1.2
204.06519	1.6
222.93036	0.6
227.05254	0.9
243.04826	1.3
245.06345	3.1
265.08420	0.8
267.10074	1.1
271.04181	1.5
271.11499	2.9
287.03690	4.1
289.05319	7.5
313.12564	19.1
357.11536	100.0
358.11874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01884	2.7
55.05517	21.4
57.03416	3.8
57.07059	8.7
59.77227	2.6
67.05505	38.0
69.02468	2.5
69.07064	23.2
70.06578	10.6
71.04602	3.8
71.04991	63.8
73.06541	4.8
79.05493	30.6
81.06602	3.3
81.07058	51.9
83.04958	9.2
83.08603	10.0
85.06538	5.3
88.07634	17.3
88.08120	2.9
91.05478	35.9
91.81577	2.4
93.07047	46.7
95.04938	9.8
95.08611	26.8
97.06514	9.3
97.10195	2.7
99.08083	3.7
102.09138	4.7
105.07027	26.0
106.08649	7.2
107.08589	22.7
109.06532	3.3
109.10152	12.7
111.08096	4.2
113.09645	7.1
117.07005	9.4
119.08588	26.9
120.08900	5.5
121.06519	13.7
121.10157	22.3
122.06819	3.6
123.08039	7.4
123.11700	3.5
131.08607	16.7
133.10104	19.4
135.08049	7.9
135.11659	17.0
137.09601	7.9
138.09976	3.4
145.10147	15.6
147.08130	3.0
147.11673	9.0
149.13223	10.9
150.13620	3.3
157.10117	5.6
159.11703	25.3
160.12007	3.6
161.13179	3.8
163.11064	4.1
169.10318	2.8
173.13222	3.7
175.07515	6.5
176.07808	6.5
177.12782	48.8
178.13077	32.4
191.10712	29.0
192.11024	35.5
199.14792	2.7
209.15324	7.9
227.16350	4.6
229.58609	3.0
239.17827	3.8
241.18002	16.7
275.20074	14.6
289.21597	6.6
299.16663	3.8
300.16684	11.3
307.22726	4.9
338.29486	3.8
338.34018	6.0
356.23141	12.8
356.30292	9.9
356.35159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00670	12.2
55.01866	19.6
55.05508	28.7
56.96554	44.3
57.03447	14.7
66.09531	12.0
67.05495	37.0
69.03429	18.0
69.07043	19.1
69.23128	100.0
79.05476	38.1
81.03421	22.6
81.07067	55.1
83.04963	14.7
83.08609	14.2
84.55825	11.3
85.02889	14.6
85.39133	10.5
88.46477	11.9
91.05466	31.6
93.07044	32.4
95.05007	20.5
95.08608	20.7
97.02936	12.6
97.06538	21.9
98.97590	29.4
105.07047	21.1
107.08557	15.5
114.87253	12.0
119.08671	13.2
131.08545	13.2
133.97815	13.8
137.06111	12.1
149.77858	11.9
169.10123	13.4
176.99120	11.0
177.53760	11.3
265.62952	20.2
278.64145	11.9
333.18765	14.7
346.65460	37.7
356.18927	27.5
377.71393	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09769	3.9
50.40334	3.8
53.03950	8.1
55.01884	8.5
55.05516	33.0
57.03440	4.7
62.80381	3.9
67.05509	76.7
67.65752	4.1
69.07075	57.7
69.25870	28.5
71.04998	72.3
72.08137	6.3
73.06556	30.9
73.79304	4.0
79.05498	70.2
81.03408	5.9
81.07061	100.0
83.04969	16.4
83.08600	12.3
85.06540	13.3
88.58192	4.0
91.05485	49.6
93.07050	70.5
95.04971	17.0
95.08617	57.6
97.06538	18.2
97.10146	10.1
99.08105	19.3
105.07044	50.9
107.04961	16.6
107.08590	40.8
109.06531	13.7
109.10156	37.0
111.08101	7.9
111.11674	4.4
113.09623	9.1
117.07008	14.8
119.08590	44.9
121.10152	48.8
125.09624	8.2
129.07001	5.4
131.08582	26.6
133.10138	39.1
135.08067	17.4
135.11700	18.1
137.09628	16.5
139.11192	16.9
145.10135	22.6
147.11717	21.9
149.09607	16.3
149.13278	9.8
151.11218	5.2
157.10147	6.2
159.11708	26.5
161.13269	8.9
163.11232	12.3
165.12759	4.3
169.12233	5.5
173.11894	4.9
173.13307	7.5
175.14790	4.0
177.12764	18.1
193.12152	4.7
195.13776	9.7
201.14886	4.2
207.13834	5.4
217.14293	30.6
217.16075	4.4
227.16667	5.5
239.17960	5.0
241.17979	11.2
247.20534	5.9
257.18887	7.7
275.20074	91.0
289.21768	5.9
307.22595	35.8
349.22797	4.2
356.35245	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	356.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01859	7.7
55.05519	13.0
57.03433	12.3
57.07094	2.3
57.29485	2.2
59.05013	2.4
59.32190	2.2
67.05508	52.1
69.03432	3.4
69.07071	15.8
69.93111	9.0
71.04984	6.3
74.76135	1.9
75.55536	1.9
77.00914	3.7
77.61352	2.1
79.05497	27.2
81.03412	4.6
81.07057	42.6
83.04998	15.4
83.08590	2.4
85.06537	8.8
91.05483	39.3
93.07045	28.7
95.04984	12.2
95.08611	13.6
97.05923	4.5
97.06536	77.6
98.20977	5.2
98.21542	2.3
105.07031	40.1
107.04962	3.8
107.08600	32.3
109.06528	16.4
109.09469	4.3
109.10162	46.4
111.08096	9.8
113.05999	5.4
115.07595	2.5
117.07003	6.2
119.08562	4.6
121.06506	4.3
121.10095	3.7
123.08044	2.8
123.11732	11.8
131.08557	7.6
133.06467	3.7
133.10139	64.9
134.69087	2.1
135.08067	5.3
135.11714	2.4
137.06007	3.0
145.10127	4.7
149.09575	5.9
151.11189	42.9
159.08087	3.2
159.11647	2.9
161.09605	3.4
175.11203	4.6
177.09114	6.8
179.10660	3.7
183.13789	12.6
215.14417	2.5
237.13232	2.7
261.18613	3.9
271.16785	5.2
289.18100	16.6
291.18088	6.4
307.18994	2.5
309.19250	3.3
315.17990	9.7
321.20706	12.6
333.19135	100.0
334.19333	3.2
339.21637	2.8
351.20331	5.2
356.20831	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01865	8.2
55.05516	17.1
57.03431	8.9
59.78003	2.0
61.32753	2.5
63.27614	2.0
67.05508	57.6
69.03432	4.7
69.07073	13.6
69.65095	7.3
69.65500	5.6
71.05000	4.4
73.27819	2.1
77.96665	2.1
79.05148	2.2
79.05499	23.7
81.03402	4.8
81.06598	3.3
81.07062	47.0
83.04984	38.7
83.08627	3.1
85.06551	4.7
86.09688	4.4
91.05483	49.7
93.07043	35.5
95.04980	13.2
95.05483	2.2
95.08619	13.7
97.05930	3.1
97.06532	62.8
99.08083	4.5
105.07036	46.8
107.04926	2.4
107.08589	35.8
109.06511	9.9
109.10158	63.4
111.08059	8.6
114.07130	2.5
115.07532	3.4
117.07021	3.6
119.08572	6.3
121.10130	4.9
123.08040	9.2
123.11713	15.9
125.09605	3.4
131.08566	6.4
133.10138	100.0
135.08044	4.2
145.10152	3.5
147.11661	2.8
149.09538	3.4
151.11195	92.6
161.09662	2.5
175.11168	3.6
179.10678	7.1
183.13821	16.4
193.12270	3.2
196.29297	2.1
211.13199	3.3
232.94560	2.1
240.09889	2.3
261.18521	4.1
271.16882	2.7
279.64597	2.6
289.17981	8.0
307.18631	2.5
321.20734	2.6
337.20380	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	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
55.01863	18.7
55.05281	6.9
55.05518	100.0
57.03430	19.8
63.82155	7.0
65.03916	7.8
67.05506	93.0
69.03415	21.5
69.07059	48.7
70.04009	32.3
71.04980	19.1
79.05495	61.0
79.73260	6.9
81.03425	35.9
81.07067	50.4
82.98746	6.0
83.04964	19.0
83.08629	42.1
85.06570	11.5
91.05492	51.9
91.20242	6.3
93.07060	35.3
95.01330	20.6
95.04976	73.2
95.08614	23.3
97.06551	32.9
97.10178	86.7
98.20829	11.3
98.83692	6.5
99.04504	7.3
104.86986	8.1
105.07046	37.6
107.04965	16.9
107.08595	55.2
109.02888	17.2
109.06510	36.8
109.10156	12.4
111.04409	10.1
111.08051	10.4
113.05996	26.9
115.07567	7.8
117.07019	21.6
119.08607	34.6
121.02872	43.2
121.06523	41.3
121.10149	11.7
122.95795	6.2
123.04411	16.1
123.08011	8.3
125.09624	85.2
129.07005	12.2
131.08583	15.7
131.90092	7.9
133.10147	17.6
135.08064	41.6
137.09650	13.2
142.07748	8.0
145.10097	10.3
147.08051	19.8
147.11696	42.8
151.11177	10.1
153.09096	15.9
157.10115	15.0
157.12141	7.3
159.08063	95.4
159.11670	8.7
163.07536	14.4
163.11205	7.2
173.09558	7.0
175.11165	20.1
179.10643	9.0
185.09625	10.2
193.12289	35.9
203.10838	14.2
203.12778	99.8
211.11343	7.9
219.13803	14.7
221.11765	91.4
233.15373	17.0
237.15001	7.4
239.12701	21.8
247.13307	23.0
251.16521	12.6
252.38051	7.1
253.15985	13.8
271.16962	22.8
289.18005	61.9
305.88547	7.9
307.18875	9.9
321.20667	12.0
356.85495	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	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42381	2.4
53.03942	3.8
55.01863	8.5
55.05528	14.0
57.03445	12.3
65.03947	2.5
67.05508	59.1
69.03419	9.8
69.07073	14.4
70.12646	10.7
71.04967	3.4
79.05502	36.5
81.03404	8.4
81.07057	52.4
83.04985	22.3
83.08604	3.7
85.06543	11.5
91.05488	48.0
93.07050	34.3
95.04976	17.7
95.08598	15.6
97.06536	77.9
105.07043	52.1
107.04974	6.8
107.08598	39.8
109.06502	15.4
109.10161	50.9
111.08106	16.9
113.06036	6.0
115.07591	3.5
117.07024	8.0
119.08578	6.8
121.06470	5.3
123.08060	6.0
123.11705	15.0
125.75533	2.7
129.06999	3.6
131.08578	10.6
133.06435	5.6
133.10138	100.0
135.08047	4.1
145.10153	5.1
147.08064	2.7
147.11690	2.7
149.09612	8.8
151.11191	62.1
155.08704	2.7
159.08060	3.5
159.11711	3.3
161.09663	6.6
175.11140	3.8
177.09203	12.2
179.10605	4.4
180.99446	2.5
183.13824	11.4
196.62149	2.5
221.11699	6.6
261.18484	6.0
271.16873	7.8
276.84650	2.5
289.18021	15.5
307.19080	2.9
321.20526	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.7
53.99741	3.0
55.01873	17.4
55.05517	30.5
56.96565	5.9
57.03445	18.9
57.75671	2.8
59.04994	5.2
63.13310	2.9
67.05511	36.0
69.03432	10.3
69.07063	11.1
69.77100	15.3
69.77444	5.0
71.04995	6.3
79.05499	43.2
81.03427	20.6
81.07060	50.6
83.01329	12.0
83.04985	46.7
83.08624	32.1
85.02921	8.4
85.06544	4.9
85.34679	3.0
91.05470	25.1
93.07056	39.7
95.04976	12.6
95.08620	16.6
97.02889	7.7
97.06523	16.4
97.10159	21.5
98.97592	3.3
99.04475	4.9
99.08083	8.6
105.07050	13.5
107.04944	11.7
107.08607	31.8
109.06543	13.5
109.10160	14.2
111.04453	47.6
111.08115	18.2
117.07015	15.9
119.08594	22.5
121.06532	7.8
121.10148	17.5
123.08088	10.3
125.06032	4.1
125.09588	18.8
129.07025	6.5
131.08574	13.2
133.10114	4.5
135.08099	13.4
135.11699	23.7
137.09692	6.8
143.08640	4.2
145.06497	4.6
145.10135	40.5
147.08038	11.4
147.11664	5.9
149.09625	9.4
153.12761	32.0
155.08592	7.1
159.08101	8.1
163.03897	3.3
163.11206	70.7
173.09563	18.9
181.12259	32.9
191.10687	54.9
195.13733	2.9
203.12784	8.7
205.12282	6.4
209.11758	72.7
223.13266	30.5
227.12796	100.0
229.07582	3.5
235.17113	3.3
241.14369	71.0
253.16026	3.3
261.18451	3.1
263.16519	3.2
271.17010	9.4
279.93268	2.9
289.18005	39.5
303.19412	6.6
307.18979	20.3
321.20667	53.3
355.51828	3.2
355.66116	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	356.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01869	5.6
56.96566	2.1
57.03431	5.5
61.02930	7.8
68.99772	1.7
69.03435	36.8
69.99942	7.7
70.06586	2.7
71.04982	6.0
72.08134	1.7
73.02927	8.4
73.06560	21.0
76.96438	1.8
81.03059	1.8
81.03429	18.7
85.02909	100.0
85.89690	1.5
86.09666	1.8
87.00315	3.6
87.00836	58.8
89.06033	2.1
97.02898	31.8
97.06547	11.2
98.97580	4.7
99.04430	13.3
101.02370	1.7
105.01871	86.6
107.23087	1.8
108.51446	1.6
109.02891	28.6
110.07157	3.1
110.97581	1.8
117.01874	2.0
121.02871	3.0
127.03929	70.4
129.01851	2.7
129.52687	1.5
137.05997	2.1
143.87175	1.6
145.02928	3.1
145.04964	30.6
156.67763	1.8
159.02878	11.0
163.03955	2.6
164.04204	2.9
177.05487	3.3
189.03851	2.2
193.05121	2.2
194.05273	2.1
199.09758	1.9
213.03928	3.4
219.01703	3.3
231.05046	27.7
237.02782	2.9
249.06108	9.0
266.07367	2.2
285.65189	1.6
356.13287	7.4
357.15198	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	356.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72189	1.1
53.03945	4.8
55.01868	5.3
56.96563	2.4
57.03442	5.7
61.02937	6.8
69.03432	36.5
69.72929	5.8
70.06598	3.7
71.01374	1.6
71.04986	4.1
72.08164	1.3
73.02934	6.0
73.06565	17.5
76.56597	1.2
81.03422	21.8
83.05032	1.3
84.08138	1.9
85.02914	100.0
86.09743	2.2
87.00835	53.7
87.04501	1.7
91.03967	1.3
95.05003	1.6
97.02296	2.1
97.02905	27.3
97.06534	13.2
98.97604	1.5
99.04466	13.4
101.02345	1.5
105.01872	86.2
109.02892	24.8
115.03978	2.0
116.07072	1.2
117.01876	1.5
119.84824	1.2
127.03932	62.1
129.01828	2.8
130.06538	1.4
130.35675	1.3
135.04456	1.5
136.04735	2.6
136.06255	1.4
136.07669	2.7
137.05977	2.6
145.04973	33.8
147.02888	2.7
147.04417	2.1
159.02911	10.7
163.03961	9.2
164.04271	8.4
164.07094	4.1
176.07011	2.0
179.03258	1.4
189.03990	2.8
193.04967	3.6
194.05334	5.1
199.09605	1.7
213.04056	4.6
219.01857	1.8
231.05022	22.6
237.02892	1.6
242.43071	1.2
249.06085	9.0
356.13403	3.5
357.15289	2.1
362.15677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23516	2.1
53.03942	4.7
55.05511	14.4
57.07064	8.2
67.05508	26.0
69.03410	3.3
69.07074	26.5
69.78608	7.5
69.79014	5.4
71.04997	2.5
71.08637	3.4
79.05500	26.1
79.54682	2.5
81.07062	100.0
83.05003	5.5
83.08614	11.2
85.06557	3.1
91.05493	30.3
93.07051	79.0
93.95940	2.5
95.05001	4.0
95.08614	68.0
97.06512	6.0
97.10165	4.7
103.05494	2.6
105.07034	46.2
107.08605	98.6
109.06532	2.5
109.10170	43.5
109.10865	4.6
110.47462	2.5
111.08114	3.5
117.07024	6.9
119.08590	72.3
121.10155	53.5
123.08102	4.0
123.11717	15.5
125.09642	10.2
127.11253	4.7
128.45689	2.5
131.08604	19.0
133.10136	27.6
135.11708	88.6
137.13268	6.5
138.47821	2.9
143.08583	2.7
144.09360	2.9
145.10127	39.3
147.11705	19.1
149.09644	4.1
149.13277	47.1
157.10147	9.1
159.11703	45.5
161.13255	17.9
163.11237	4.8
163.14871	8.1
171.11778	6.0
173.13297	9.3
175.11076	2.7
175.14856	10.2
177.12804	6.4
177.16389	38.0
185.13315	4.7
187.14839	8.6
189.16454	8.0
191.18004	4.5
197.13239	2.7
199.14871	7.4
201.16406	31.1
203.18039	4.0
204.21318	2.3
205.15878	13.1
205.19507	2.6
213.16486	3.7
215.17940	7.4
219.17470	29.9
227.18036	3.6
229.19455	3.0
233.19101	7.5
243.21185	8.6
263.10556	2.3
313.64999	2.6
316.03430	2.4
332.69540	2.7
337.29019	26.7
355.30002	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2993
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
53.03947	3.7
54.51742	2.0
55.05513	13.8
55.70029	2.0
57.07059	4.1
64.14512	1.8
65.03932	2.3
67.05505	25.2
69.03419	5.4
69.07069	39.6
70.99092	4.5
71.08644	2.8
79.05496	25.2
81.07056	100.0
83.04979	4.9
83.08615	12.6
91.05485	13.9
93.06476	3.2
93.07038	39.2
95.04971	4.8
95.07988	2.6
95.08608	50.6
97.06522	5.6
97.10167	5.0
105.07032	25.0
107.08598	34.4
109.01283	2.2
109.06528	10.7
109.10160	34.8
111.08076	9.8
117.07034	3.4
119.08587	20.7
121.10145	22.9
123.08109	2.5
123.11697	19.2
129.07047	3.3
131.08588	11.9
133.10133	21.6
135.11705	17.0
137.09630	5.7
137.13246	4.5
143.08566	4.2
145.10109	14.3
147.11681	15.6
149.13272	16.2
151.11180	22.1
157.10114	7.7
159.11684	11.6
161.13280	10.1
163.11241	2.4
163.14845	8.7
165.12657	2.9
169.10121	2.5
171.11678	7.6
173.13223	7.5
175.11130	2.4
175.14851	7.2
177.12759	7.0
177.16444	3.5
185.13301	9.2
187.14809	8.7
189.12805	3.1
189.16354	9.7
191.17981	2.9
199.14862	8.6
201.16325	3.1
203.17976	3.3
213.16425	7.2
215.18028	3.4
217.15829	2.7
217.19548	6.6
225.16418	2.2
229.19559	2.9
231.17459	2.7
241.19736	3.1
243.21089	3.6
245.22678	6.8
253.19543	3.3
255.21129	4.5
267.21011	2.4
269.22675	5.8
273.22040	3.1
274.22720	2.1
281.22607	5.7
287.23798	4.1
337.28857	13.3
355.29990	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
53.29574	2.2
55.05506	16.5
57.07067	6.6
59.05009	3.3
65.03944	3.0
67.05508	67.9
69.03433	2.5
69.07071	36.2
69.82005	9.6
79.05495	25.9
81.03413	2.7
81.07059	82.6
83.04998	5.7
83.08619	10.8
85.06519	2.9
91.05476	19.2
93.07049	69.7
95.04951	3.7
95.08611	60.0
97.06524	2.7
97.10160	8.2
105.07034	49.5
106.02536	2.1
107.08600	66.0
109.06509	6.3
109.10163	100.0
110.10416	2.3
111.04417	2.4
111.11713	8.1
117.07046	5.0
119.08589	66.5
121.10152	61.5
121.11031	2.5
123.08076	2.6
123.11718	11.4
129.06963	2.7
129.14491	2.1
131.08542	16.6
133.10127	28.5
135.11699	50.0
137.09625	49.2
143.08542	7.3
145.10143	22.9
147.11697	30.9
149.13266	50.7
151.11192	4.1
155.08469	2.5
157.10124	12.5
159.11700	29.0
161.13281	14.0
163.14830	22.4
165.12785	9.1
171.11662	7.0
173.13293	16.6
175.14856	26.2
177.16394	8.3
185.13257	7.2
187.14815	35.4
189.16362	5.4
191.17949	14.1
193.15881	29.9
195.17322	3.1
199.14769	7.0
201.16388	12.6
203.18021	35.7
211.14792	3.0
213.16389	22.5
215.17908	5.4
217.19455	4.2
225.16298	3.0
227.17874	17.0
229.19568	2.6
238.07967	2.7
241.19562	3.7
253.19383	2.4
255.21115	4.4
267.20956	3.6
281.22681	4.6
294.26590	1.8
337.28882	36.7
355.29996	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2994
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
55.05513	9.3
57.07062	2.8
67.05502	21.9
69.03422	12.0
69.07063	16.4
69.49095	8.4
69.49501	2.8
71.04977	5.6
79.05494	11.6
81.03462	1.7
81.06587	3.7
81.07054	66.2
81.07533	3.6
83.04953	3.2
83.08610	6.9
91.05470	14.2
93.07038	35.1
95.05000	2.1
95.08606	53.3
97.06512	8.3
97.10176	4.6
105.07034	46.2
107.08598	42.4
109.06473	2.3
109.10158	37.8
111.04447	2.3
111.08054	2.6
111.11736	2.3
112.61698	1.6
117.07022	7.7
119.08573	65.0
121.10146	39.9
123.08064	3.5
123.11684	16.3
125.09636	13.2
126.25784	1.6
127.11192	7.2
129.06999	2.0
131.08591	17.7
133.10124	24.9
135.11688	24.3
137.13252	3.9
141.12689	2.6
142.07756	2.2
143.08537	4.2
144.09357	5.4
145.10120	39.0
147.11685	20.8
149.13245	31.7
151.11214	2.4
153.12709	1.9
157.10146	12.5
159.11685	100.0
161.13246	20.2
163.14833	10.1
169.10152	6.3
171.11740	5.5
173.13264	22.9
175.14839	10.6
177.16408	5.1
183.11700	3.7
185.13254	4.1
187.14792	15.3
189.16362	17.5
191.17982	2.3
193.15884	2.0
197.13348	4.0
199.14850	6.9
201.16455	7.2
203.17940	11.1
211.14864	5.0
213.16400	14.3
215.17973	13.3
217.19551	19.9
225.16422	4.5
227.17955	5.2
229.19588	4.1
231.21046	3.3
241.19495	3.3
243.20953	3.0
245.22699	3.2
252.24416	1.9
253.19569	2.2
255.21140	3.8
269.22708	6.8
271.24280	6.6
281.22665	3.8
302.76614	1.9
337.28824	26.5
355.29977	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03926	2.3
54.17736	1.1
55.01869	2.8
55.05272	2.5
55.05516	29.3
56.96555	2.2
57.03439	7.3
57.07077	13.6
63.45321	1.1
65.03942	2.4
67.05508	84.4
68.05859	1.8
69.03409	1.3
69.07074	39.6
69.99708	4.6
70.06603	2.1
71.04987	2.7
71.08628	6.2
72.30254	1.1
73.04765	1.2
75.04498	1.3
77.64156	1.2
79.05499	29.0
81.03449	1.4
81.07061	100.0
83.04990	4.0
83.08624	30.3
85.06538	4.5
85.10178	2.1
88.07675	2.3
91.05482	21.1
93.07053	34.8
95.04963	4.0
95.08613	85.7
96.09001	1.3
97.06532	7.9
97.10178	20.3
99.08102	4.3
101.87348	1.1
105.07034	13.3
107.04979	2.0
107.08597	23.4
109.06506	2.5
109.10162	38.3
111.08110	4.4
111.11740	6.4
113.09626	2.8
117.06995	1.7
119.08591	16.3
121.06516	1.9
121.10145	27.7
123.08048	2.6
123.11728	24.4
125.09633	2.7
125.13251	1.3
129.05478	2.5
131.08577	3.1
133.10147	15.8
135.11711	16.0
137.05991	1.9
137.09634	2.7
137.13251	8.7
141.12750	2.0
145.10133	1.8
147.11714	11.5
149.13261	13.7
151.07581	1.9
151.11217	2.0
151.14816	7.6
155.14311	2.7
159.11729	2.1
161.13263	13.4
163.14845	13.5
165.12830	2.8
165.16376	6.8
175.14836	10.1
177.16396	1.6
179.14352	2.1
179.17972	5.5
181.15880	1.3
189.16408	6.8
193.15816	1.6
203.18057	1.7
217.19490	1.5
233.05321	1.3
245.22667	46.6
263.23718	65.0
281.24756	1.5
315.16321	1.6
315.61945	1.3
337.27377	41.8
355.28497	11.0
355.34018	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	355.2842
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.02107	2.1
53.03952	4.8
55.05515	32.1
57.03435	8.3
57.07076	16.2
57.83246	2.3
59.81301	2.2
66.20129	2.2
67.05506	76.3
69.03436	3.3
69.07065	41.5
70.66039	2.9
70.66373	4.2
71.05000	2.3
71.08631	9.0
79.05492	27.4
81.03398	3.1
81.07056	100.0
83.04980	15.4
83.08620	28.6
91.05471	23.8
93.07059	30.8
95.04985	3.9
95.08607	97.4
95.37490	2.1
97.06535	9.6
97.10184	18.5
105.07046	20.8
107.08604	31.1
109.10161	51.1
111.04470	5.7
111.08076	6.6
111.11724	4.8
117.07034	3.4
119.08596	19.2
121.10147	27.1
123.11724	21.1
125.09612	6.7
129.05525	3.5
129.07008	5.0
131.08551	2.7
133.10129	20.7
135.11707	17.9
137.09682	3.1
137.13255	7.4
143.08606	4.1
145.10130	4.8
147.11665	20.1
149.13254	17.4
151.07588	2.7
151.14780	6.6
157.10117	3.7
159.11745	2.7
161.13235	17.9
163.14815	11.6
165.16408	6.4
171.11671	4.8
175.14842	9.7
177.16367	2.9
179.17969	3.4
181.15881	2.6
189.16415	7.2
199.14751	2.4
245.22685	47.0
263.23718	53.7
274.00018	2.8
337.27505	31.9
355.28714	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	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03933	1.8
55.01879	2.2
55.05272	2.6
55.05514	32.5
56.51371	1.5
57.03429	7.7
57.07076	13.4
65.03922	1.9
67.05507	81.5
69.07071	37.1
69.35689	13.2
71.04982	2.6
71.08614	7.0
75.04457	1.6
79.05496	25.0
81.07060	100.0
83.04970	4.0
83.08618	29.1
85.10178	3.1
91.05480	18.4
93.07047	26.1
95.08611	85.4
97.06555	9.4
97.07059	2.2
97.10175	17.6
99.08095	4.5
103.03951	2.6
105.06480	1.6
105.07037	16.8
107.08604	23.4
109.06522	2.0
109.10157	43.3
111.08078	5.3
111.11745	8.6
113.09685	1.9
119.07963	1.3
119.08605	15.2
121.10145	25.0
122.74097	1.5
123.11707	19.4
125.09651	1.9
125.13285	2.1
133.10138	18.7
135.11700	15.2
137.09598	1.9
137.13295	7.6
137.14142	1.6
139.11243	2.0
141.12714	2.7
147.11668	11.1
149.13258	11.6
151.11198	2.4
151.14813	8.2
155.14301	3.0
161.13246	14.1
163.14778	13.7
165.12764	1.9
165.16382	7.9
165.56084	1.7
167.14336	2.6
168.02472	1.4
175.14865	13.3
179.17960	6.5
181.15814	2.0
189.16376	6.3
203.17918	2.1
245.22670	53.5
261.44598	1.4
263.23724	55.1
299.03879	1.6
337.27362	40.1
355.28531	9.5
356.35132	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Scopolin
Peak:m/z	Relative Intensity
54.83679	0.2
56.08759	0.2
65.17131	0.2
66.61401	0.2
66.91555	0.2
70.68827	0.4
76.94853	0.2
89.03969	0.2
105.03429	0.4
117.03370	0.4
122.03655	1.0
133.02861	16.2
137.05981	3.9
149.06006	1.4
150.03130	0.8
165.05487	2.1
178.01030	0.2
178.02620	9.2
193.04973	100.0
194.05347	0.9
355.13623	0.8
379.83395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
56.42334	0.2
67.05505	0.3
69.03446	0.3
69.07075	0.3
69.44904	1.9
71.03896	0.3
79.05508	0.3
81.03422	0.3
81.07053	0.3
84.08162	0.4
85.02894	0.3
88.07634	0.3
90.33633	0.2
91.05462	0.5
93.07033	0.4
98.20796	0.5
105.07082	0.3
107.08625	0.3
119.04988	0.3
119.08563	0.3
120.25639	0.2
135.11690	0.3
137.05978	0.5
141.93068	0.2
143.01872	0.4
161.02979	0.4
163.03931	0.3
170.67046	0.2
201.03714	0.5
201.05463	0.8
203.05321	0.4
210.14984	0.3
305.11520	0.3
355.17279	100.0
356.17621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12563	0.8
56.96556	1.0
61.00827	0.7
65.80108	0.7
65.81048	0.8
69.02582	0.7
69.46419	0.7
70.32227	1.3
70.32615	1.8
81.03423	1.3
84.08172	0.9
85.02898	3.4
86.42212	0.8
89.03912	5.4
98.97601	1.0
107.04929	0.8
117.03387	7.0
122.03667	1.3
133.02864	18.4
135.04422	11.4
137.06007	3.9
145.02864	7.5
149.05957	1.8
163.03909	70.0
165.05443	1.8
178.02635	8.6
184.19246	0.7
193.04968	100.0
194.05273	1.0
237.00560	1.1
299.84308	0.7
355.13855	1.0
355.59619	0.8
365.05630	0.8
366.05743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	25.8
70.43030	44.9
71.08619	19.2
79.05495	17.9
81.07054	35.4
93.07034	31.9
95.08582	33.5
97.60788	14.4
99.08080	18.5
101.02396	13.5
102.46631	14.9
119.08535	13.6
152.13501	11.5
169.85698	14.6
179.14326	68.9
187.98080	13.6
277.21689	100.0
309.24274	36.8
323.87180	15.6
355.28531	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	354.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32031	4.8
55.05519	20.6
56.96558	12.1
57.03438	7.2
62.06086	8.3
66.33698	4.2
67.05525	24.1
69.07059	19.7
69.77250	20.9
79.05495	33.0
81.03423	9.8
81.07058	36.9
82.87939	5.1
83.04982	8.5
83.08619	13.2
91.05486	31.9
93.07055	31.9
95.08614	23.0
97.06518	15.3
97.10159	8.1
98.21493	7.7
99.25652	4.5
103.05459	4.8
105.07021	32.3
107.04937	8.1
107.08601	17.8
109.06516	8.4
109.10147	11.1
116.59726	4.4
117.07015	17.8
119.08612	21.9
121.06511	8.3
121.10128	13.2
123.08067	6.6
125.09620	7.2
129.06999	9.3
129.57965	5.0
131.08591	47.2
133.10121	9.3
135.11742	7.6
137.06056	4.8
143.08557	48.5
145.10115	58.1
157.10133	9.8
159.11627	9.3
161.09647	8.4
163.11284	6.7
169.10127	7.5
171.11674	10.6
173.09499	5.3
175.11253	5.8
183.11751	5.7
192.06654	6.2
194.15915	3.8
195.11861	7.8
203.81000	4.3
212.54700	5.8
213.24898	4.6
226.03235	5.2
229.36758	5.0
237.16399	19.7
255.17432	17.5
273.18509	67.7
276.15979	7.1
291.19540	100.0
294.24261	5.6
300.58957	4.6
354.18777	9.1
354.23001	10.0
355.15588	7.8
361.01123	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	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	37.8
56.90444	15.6
67.05497	47.1
71.54509	31.0
73.06558	26.6
81.07068	60.5
83.04972	37.9
83.08635	18.8
83.11221	15.2
91.05472	23.8
91.63813	15.1
95.08628	19.7
106.11231	15.0
107.08617	19.0
109.10180	34.3
119.08611	19.6
121.10136	27.6
123.84975	18.3
124.83854	15.2
131.08607	21.4
133.10091	18.2
151.11189	34.4
163.15155	15.7
171.07913	16.6
192.68674	15.8
290.18356	59.5
322.20956	100.0
354.41077	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	354.2638
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03943	2.9
55.01870	2.9
55.05513	19.3
56.05029	4.8
56.96553	9.2
57.03437	3.4
57.07084	2.6
60.04522	10.0
67.05180	2.7
67.05505	30.3
68.05034	3.8
68.08220	2.1
69.07072	19.0
69.63085	5.0
69.63496	7.2
70.06570	2.6
70.13749	2.0
71.04983	8.4
71.08638	12.5
79.05486	23.5
80.05021	5.1
81.07053	37.3
82.06564	3.6
82.07373	2.6
83.04969	5.8
83.08615	8.8
85.06538	2.6
91.05479	14.0
92.33333	2.0
93.07041	25.9
94.06567	3.2
94.07384	2.3
95.04967	9.4
95.08608	15.2
96.08144	3.7
97.06512	4.1
97.10174	6.4
98.21497	3.5
98.97547	2.5
99.08102	8.3
105.07050	14.6
106.06604	3.3
107.04954	3.8
107.08581	15.0
107.11262	2.2
108.08131	4.9
109.06499	5.0
109.10133	12.3
117.07014	4.4
119.08577	11.7
120.08923	2.5
121.06515	2.0
121.10142	8.8
125.09619	5.2
131.08566	4.5
133.10152	6.7
135.08122	2.4
135.11713	5.1
135.85030	2.0
137.09625	4.6
137.86446	2.0
138.12778	4.6
143.08560	2.7
145.10152	2.6
147.11687	7.5
149.13252	3.0
150.12779	5.2
151.11165	4.5
152.14343	3.5
154.12286	8.5
157.10144	3.2
159.11694	4.7
161.13263	4.8
163.11284	4.9
164.14359	2.4
165.12689	2.6
171.11710	2.9
175.14790	2.7
177.12732	7.7
196.13475	2.6
212.16562	2.6
223.06471	2.1
229.07660	2.5
243.09157	3.2
246.22128	3.0
258.22223	2.3
259.08450	2.6
259.20682	10.7
263.48700	2.2
274.21637	8.6
276.23267	29.9
277.21695	23.1
292.22687	8.5
294.24286	100.0
295.22552	4.3
305.17276	2.7
312.25070	2.4
318.24210	7.6
331.17545	2.8
333.17355	8.1
336.25342	16.6
351.18408	20.7
354.17313	5.0
354.22021	4.0
354.26428	72.5
355.18719	2.9
367.17917	2.5
369.19577	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	354.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.2
56.96574	2.1
67.05512	24.8
68.05819	3.3
69.07071	9.5
70.06590	13.7
71.04984	2.5
73.84719	1.8
76.99545	1.7
79.05483	8.5
81.07060	21.6
82.07391	4.0
83.04973	2.1
83.08608	3.6
84.08949	1.8
88.07645	18.5
91.05476	6.4
93.07050	10.0
95.08617	16.4
96.08936	4.2
102.09169	3.4
105.07031	4.2
106.08659	8.0
107.08588	6.5
108.68970	2.3
109.10149	5.7
110.10434	2.7
119.08583	3.9
121.10156	7.5
122.10503	2.9
123.11749	2.6
124.12070	2.2
132.08928	2.8
133.10104	4.2
135.11679	3.1
145.10107	2.5
147.11726	3.2
150.13608	2.7
159.11687	2.7
173.13174	2.7
188.15198	2.0
222.10301	2.1
225.27151	2.2
244.21439	6.2
262.22522	13.2
336.26053	2.9
336.32648	4.8
354.27069	5.6
354.33661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01868	2.1
55.05510	0.6
55.93520	0.6
56.96568	1.5
57.03432	3.4
63.40757	0.5
67.05502	2.2
69.03432	2.5
69.89194	1.8
69.89606	1.2
70.06588	2.3
71.05003	5.7
71.26834	0.5
72.08144	0.9
73.02917	3.8
77.03923	0.5
79.05482	0.6
81.03413	1.6
83.04988	0.6
84.04544	0.9
84.08163	1.2
84.88026	0.5
85.02905	7.2
85.06551	4.9
86.03209	0.7
89.03924	1.2
93.07024	0.8
94.70895	0.5
95.04979	5.5
97.02901	2.5
97.06519	0.7
98.97605	3.0
101.01730	1.1
101.02387	17.1
107.04942	0.5
109.02916	0.8
110.07173	1.0
110.97525	0.5
111.08073	1.7
111.35648	0.6
112.99131	0.7
113.06013	100.0
116.98631	0.8
117.03380	0.6
117.46043	0.6
120.08128	1.8
121.02843	1.0
121.06563	0.6
127.03908	1.1
128.98599	0.6
129.09082	0.7
129.10260	0.7
131.07054	37.4
133.02843	0.7
135.04482	1.5
136.07608	0.7
139.07555	4.5
145.02904	1.6
145.04938	1.6
146.06038	5.0
151.03975	0.7
152.98628	0.6
157.08615	7.6
158.99760	0.5
163.03920	9.1
165.97168	1.0
174.05540	1.4
175.03951	0.6
175.09682	7.7
179.03354	3.2
180.03809	0.7
183.98201	0.7
188.07114	1.6
192.06561	3.0
193.05000	3.7
210.96980	1.0
216.94290	0.5
218.99835	0.5
219.01831	1.1
237.00752	0.7
237.02835	0.8
239.02248	0.8
251.97169	0.7
255.96764	0.7
257.03421	0.7
266.07562	0.8
354.00470	2.4
354.12289	1.0
354.19333	3.9
365.05542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01873	7.4
55.05511	1.3
57.03438	6.8
61.02932	6.0
67.05503	2.5
68.99788	1.6
69.03432	33.3
69.07071	2.4
69.59119	3.9
69.59544	2.2
70.21185	0.9
71.05002	4.7
71.08620	1.2
72.08171	1.3
73.02923	6.3
79.05520	1.0
81.03421	21.7
81.07055	2.3
85.02910	100.0
87.00832	47.6
87.04472	1.0
88.07608	2.4
91.03956	2.0
91.05486	1.7
93.07057	1.5
97.02895	31.3
97.06516	1.1
99.04459	13.9
103.03945	1.1
104.07113	7.1
105.01871	86.5
108.04494	2.3
109.02884	27.8
109.03609	1.8
109.10128	0.9
111.11705	1.2
111.25053	1.0
115.03970	1.8
117.01872	2.1
121.10171	1.2
126.05528	1.3
127.03922	80.2
129.01859	3.3
130.04997	1.4
139.11200	1.3
142.06419	1.0
145.04962	36.9
147.02902	2.1
147.04417	3.0
157.12242	2.6
159.02899	12.6
167.07076	1.4
189.03952	3.6
192.07330	1.2
197.11766	1.5
213.04010	3.2
229.14339	1.2
231.05017	27.1
231.07259	1.9
242.49542	1.0
249.06114	9.0
255.20145	1.1
354.14111	1.7
354.26544	6.1
355.17267	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91533	0.8
53.03957	4.6
55.01873	4.6
57.03437	5.8
61.02938	5.7
67.05501	1.2
68.99791	2.3
69.03437	35.7
70.06590	1.0
71.04994	3.8
71.54021	0.9
73.02927	7.6
74.61501	0.8
80.61985	0.8
81.03424	22.4
81.07071	1.0
83.05000	1.3
85.02912	100.0
87.00836	45.3
87.04455	1.4
88.07616	1.1
89.00721	1.0
95.08549	1.0
97.02899	31.7
98.06093	1.0
99.04462	13.5
101.02405	1.0
104.07120	1.2
105.01875	83.0
105.06990	1.2
107.08605	0.9
108.04513	1.4
109.02890	26.7
109.22830	1.0
117.01872	2.7
127.03929	75.8
129.01851	2.9
133.10146	1.2
145.04970	37.8
147.02919	2.8
159.02898	12.0
189.03967	3.2
211.38382	0.8
213.03931	2.4
231.05017	26.9
248.07851	1.2
249.06087	7.9
336.25305	1.2
354.17249	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1183
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03936	1.5
54.11127	0.4
55.01868	1.1
55.05493	0.8
56.96570	2.1
57.03424	1.5
61.02929	2.3
67.05485	1.2
69.03082	0.6
69.03431	6.7
69.07055	1.8
69.85561	1.1
69.85954	0.8
70.02940	1.3
70.03746	0.4
70.06582	1.8
71.04979	1.7
72.08160	0.5
73.02903	1.0
79.05466	1.1
81.03424	2.9
81.07047	0.6
83.04973	0.4
84.04492	0.5
84.08145	1.0
84.96026	0.8
85.02908	15.3
86.03244	0.7
86.09689	0.6
87.04467	1.8
91.03958	1.0
91.05466	3.2
91.33459	0.4
94.06570	5.4
95.04964	1.1
95.08599	0.8
97.02897	4.2
98.97593	6.1
99.04447	1.6
105.03351	0.9
106.06567	0.5
106.84489	0.5
107.08575	0.9
109.02874	1.7
109.06494	0.6
110.97572	1.3
111.08058	0.5
115.07554	1.0
116.07113	0.5
116.98616	1.4
117.05704	0.9
118.06546	5.9
119.04939	0.7
119.08710	0.5
120.08083	0.5
122.06036	5.0
126.40034	0.4
127.03924	4.0
128.54399	0.5
128.98625	1.3
133.02847	1.0
134.05971	1.1
135.04370	0.5
135.08044	0.7
136.07530	0.6
137.05978	0.9
139.04918	0.4
140.98643	0.5
141.87309	0.4
143.00197	0.4
145.02872	0.5
145.04962	2.3
146.06020	15.4
147.04370	0.9
147.06874	0.5
148.07538	0.5
150.05492	1.6
154.12383	0.5
157.08614	1.2
157.12231	0.6
158.99670	1.4
161.01270	0.8
162.05510	2.0
163.03891	3.9
164.07069	6.7
170.99669	0.9
173.13341	0.7
174.05511	100.0
174.13501	0.7
175.06064	1.2
175.09753	1.0
176.07053	1.0
177.00725	0.8
178.02502	0.6
191.14343	2.9
191.15874	0.5
192.06560	53.2
192.14661	4.8
193.04982	8.1
196.13326	1.6
201.00792	0.6
218.99762	0.9
219.01775	2.0
237.00969	2.1
237.02715	2.4
238.01003	0.6
239.02258	1.0
281.03586	0.4
336.10892	1.6
354.11859	62.0
354.18805	12.0
355.12189	0.6
364.09482	0.4
365.05414	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03935	4.4
55.05516	17.1
56.96563	3.1
57.03440	4.2
57.07088	8.1
65.03939	2.9
67.05510	95.3
69.07079	14.7
69.22512	15.4
71.04975	1.6
71.08629	2.8
79.05498	59.6
80.05821	2.1
81.03401	1.8
81.07060	100.0
83.04967	1.7
83.08624	11.9
85.06541	5.6
85.10191	1.8
91.05486	27.5
92.90467	1.6
93.07049	69.1
95.04968	4.7
95.08613	80.2
97.06516	4.9
97.10169	4.5
98.97605	2.0
99.08121	7.7
105.07034	20.1
107.08602	45.3
109.06528	3.3
109.10164	32.0
111.08104	2.0
113.09612	3.2
117.07013	10.6
119.08583	14.7
121.06531	1.8
121.10152	37.9
123.08027	2.9
123.11706	14.5
129.06995	2.3
129.08377	1.5
131.08566	22.7
133.10127	12.4
135.11702	26.9
137.09647	4.6
137.13254	5.5
139.11127	2.4
145.10118	15.8
147.11678	12.5
149.09608	3.0
149.13261	22.0
151.14864	4.5
157.10167	1.8
159.11673	19.8
161.13272	12.2
163.11166	4.9
163.14813	18.9
164.00259	1.5
165.12764	1.6
165.16443	2.0
171.11703	1.5
173.13257	15.0
175.14824	4.5
177.12720	1.9
177.16400	9.4
187.14822	7.1
191.07045	3.2
191.14293	3.8
199.14836	1.9
201.16420	3.0
229.07433	1.7
233.22655	8.4
243.21101	41.7
259.20288	1.7
261.22150	85.4
262.92621	1.7
279.23157	4.5
303.15930	3.6
308.96289	1.6
321.16959	6.9
335.25854	17.6
353.19534	7.3
353.26755	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	2.7
55.01895	1.3
55.05517	14.4
57.03455	5.8
57.07064	4.8
61.34580	1.0
65.03941	3.3
67.05512	93.9
69.07076	14.4
69.83504	2.0
69.83915	4.2
71.05014	2.8
71.08634	1.9
72.05376	1.0
75.04478	1.4
75.98259	1.1
77.03933	1.3
79.05500	40.8
81.07066	100.0
83.04986	1.5
83.08638	8.7
85.06542	2.7
91.04963	1.8
91.05498	18.9
93.07055	52.9
95.04984	1.7
95.08619	71.3
97.06532	3.2
97.10173	2.9
99.08095	1.8
105.07040	17.7
107.08603	33.6
109.06523	1.3
109.10168	36.1
111.08089	2.3
111.11716	1.2
117.07045	8.9
119.08598	14.5
121.10155	34.7
121.11032	1.7
123.08062	2.1
123.11723	19.9
125.09669	1.7
127.11193	1.9
131.08589	18.4
133.10143	14.8
135.11710	26.3
136.00595	1.2
137.09619	1.8
137.13284	8.4
139.11195	2.3
145.10132	15.1
147.11713	10.8
149.09567	1.2
149.13272	20.1
151.11211	1.3
151.14900	3.0
153.12851	1.3
159.11713	11.3
161.13266	10.5
163.14851	12.9
165.12717	2.2
173.13297	16.2
175.14873	4.4
177.16379	4.6
179.14281	1.5
187.14836	10.9
191.14290	2.5
195.13631	1.3
201.16399	3.6
205.15886	1.7
215.18004	2.3
233.22758	3.9
243.21146	26.4
261.22165	98.2
261.98489	1.1
263.23889	1.6
279.23190	7.4
317.24606	1.2
335.25775	17.5
353.26941	32.2
358.20956	1.1
377.47623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05518	14.5
56.32695	1.3
57.03421	4.7
57.07067	5.5
59.02421	1.3
65.03954	2.1
67.05509	90.5
69.07076	16.8
69.59264	8.7
71.04992	5.2
71.08630	4.5
79.05496	51.4
81.07061	100.0
83.04993	2.4
83.08628	8.5
85.06542	4.8
85.10208	2.4
91.05485	29.2
93.07050	69.0
93.07640	3.5
95.04975	9.2
95.08611	81.9
97.06523	6.0
97.10150	4.2
98.97593	2.7
99.08096	6.4
103.05489	1.5
105.07033	25.8
107.08599	50.1
109.06505	4.2
109.10159	30.6
111.08080	1.9
113.09652	3.3
117.07034	13.7
119.08591	19.4
121.06493	2.0
121.09326	2.9
121.10149	36.1
123.08073	3.4
123.11706	14.8
129.07024	1.7
130.07791	2.3
131.08580	28.2
133.10149	18.1
135.08035	5.2
135.11694	30.4
137.09602	2.4
137.13280	8.2
142.07845	1.8
143.08589	5.4
145.10141	19.9
147.11720	11.0
149.09627	3.5
149.13271	26.5
149.68916	1.5
151.14812	4.2
157.10193	3.1
159.11694	14.7
161.09631	5.9
161.13234	11.7
163.11209	5.0
163.14847	18.9
165.12735	1.8
170.10962	1.8
171.11699	2.3
173.13278	18.9
175.11269	1.6
175.14847	3.3
177.12773	3.3
177.16434	7.6
179.14331	1.6
187.14880	9.1
189.12689	2.1
191.14313	2.7
197.13342	1.9
201.16423	2.3
205.15990	1.7
209.13348	2.1
213.12657	2.0
215.17955	2.3
233.18944	2.0
233.22571	8.7
243.21082	40.1
261.22153	91.7
279.23105	5.4
335.26013	15.7
353.26456	10.2
367.39032	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66854	2.1
53.03934	3.3
55.05521	11.6
57.03424	2.2
57.07064	4.1
65.03922	2.7
67.05508	76.6
69.07072	13.2
70.13797	3.8
70.14153	4.3
71.04977	2.0
79.05499	44.7
81.07058	87.3
83.08612	5.7
83.18026	2.0
85.06536	2.2
86.51485	1.8
91.05492	23.3
93.06496	2.9
93.07053	55.8
93.39513	1.8
95.04961	4.9
95.08614	59.8
97.06514	3.9
97.10139	3.3
98.21447	2.0
99.08091	3.9
105.07050	19.4
107.08606	35.3
109.10164	34.9
117.07027	9.2
119.08570	14.7
121.10152	27.8
123.11720	20.1
124.18736	1.9
124.54282	2.0
125.09604	3.0
131.08575	19.9
133.10139	11.4
135.11691	26.2
137.13242	6.9
145.10141	17.1
147.11674	10.5
149.13306	20.0
159.11668	13.3
161.13271	8.2
163.14822	12.7
165.12741	2.4
173.13263	16.5
175.14783	2.9
175.82272	1.9
177.16380	4.8
187.14793	7.5
201.16393	2.6
219.17455	2.4
233.22682	5.0
243.21098	29.3
247.26999	1.8
261.22147	100.0
279.23172	4.9
288.55292	1.7
325.47333	2.0
335.25861	6.5
353.26941	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.57819	2.0
53.03931	3.6
55.05515	10.9
57.03429	6.8
57.07070	3.5
65.03944	4.1
67.05509	91.8
69.07061	14.6
71.04896	6.2
79.05066	3.8
79.05497	36.8
81.07063	97.2
83.08629	9.1
91.05479	22.4
93.07041	50.4
95.04982	3.3
95.08614	80.8
97.10170	5.7
104.43742	2.1
105.07041	14.4
107.08603	36.8
109.06526	2.2
109.10166	43.1
111.08083	2.3
117.07041	6.6
119.08597	13.9
121.10152	34.1
121.24741	2.0
123.11712	26.8
125.09687	2.5
131.08578	20.1
133.10149	13.8
135.11694	29.3
137.09589	2.0
137.13255	7.6
145.10150	11.7
147.11697	11.1
149.13257	25.4
159.11710	14.9
161.13286	12.7
163.14839	13.2
173.13249	17.7
175.14896	2.8
177.16405	5.7
187.14801	8.3
201.16431	2.0
233.22791	4.7
243.21124	27.0
261.22159	100.0
279.23181	8.7
335.25812	16.3
344.40811	2.1
353.26926	32.0
370.59189	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
54.65390	1.4
55.05516	14.3
57.03429	3.7
57.07064	5.7
65.03933	3.1
65.12115	1.6
67.05508	74.3
69.07072	12.0
69.65834	2.9
69.66241	8.3
71.04991	2.4
75.04485	2.0
79.05020	1.9
79.05495	46.3
81.07059	84.7
83.08618	6.4
84.47911	1.6
85.10175	1.8
88.19473	1.5
91.05490	20.1
93.07047	59.0
95.04942	2.7
95.08608	57.4
97.06518	2.6
98.20783	1.7
98.31519	1.8
99.08101	2.5
105.07034	16.4
106.40719	1.6
107.08589	38.1
109.09477	2.4
109.10169	29.4
111.08088	2.2
117.07012	6.8
119.08599	13.8
120.82735	1.8
121.10148	34.2
123.11727	18.7
131.08583	20.1
133.10152	13.8
135.11700	28.3
137.09610	1.7
137.13252	7.1
145.10147	14.1
147.11679	11.3
149.13251	19.8
159.11710	13.9
161.13313	9.0
163.14839	14.7
165.12634	1.9
169.69513	1.7
173.13263	18.2
175.14833	3.9
177.16397	4.9
179.14264	1.8
187.14842	6.6
201.16411	3.6
221.63019	1.7
233.22639	3.6
243.18806	2.8
243.21109	31.3
261.22144	100.0
279.23151	4.3
335.25922	8.5
353.26880	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.11988	1.9
52.38810	1.9
53.03935	4.0
55.05516	16.8
56.96579	4.8
57.03435	7.0
57.07071	4.5
58.06600	4.7
65.03942	3.9
67.05508	89.9
69.07074	20.4
70.11918	4.4
70.12327	6.0
70.38779	1.9
71.04977	4.9
79.05493	46.4
81.07060	96.6
83.04978	4.5
83.08617	11.3
85.06552	4.5
91.05476	26.6
93.07046	59.2
95.04966	5.9
95.08611	75.4
97.06537	6.5
97.10181	6.3
99.08144	2.1
105.07033	25.4
107.08598	43.7
109.06528	3.9
109.09470	4.1
109.10159	46.0
111.08141	2.7
112.21689	1.7
117.07001	11.9
119.08583	25.4
121.06585	2.4
121.10151	34.6
123.08105	2.2
123.11707	20.6
125.09645	2.3
127.14884	1.9
127.53501	1.9
129.07030	2.0
130.07658	2.1
131.08562	21.7
133.10162	16.9
135.04446	2.5
135.08101	2.4
135.11694	31.0
137.09650	2.4
137.13245	5.2
143.08617	4.3
145.10149	15.7
147.11729	11.1
149.09610	3.6
149.13269	16.7
151.11197	3.1
157.10133	5.1
159.08003	4.2
159.11699	19.0
161.13271	9.1
163.11133	2.3
163.14803	15.5
169.10207	2.8
173.13275	19.3
175.14824	5.4
177.16460	3.7
182.10999	1.8
187.14763	9.2
191.14243	3.0
197.13353	3.0
201.16472	4.5
215.14394	3.5
219.17468	2.6
233.22714	2.9
243.21077	28.9
245.32300	2.0
261.22162	100.0
271.16907	3.2
279.23224	7.3
317.13098	2.2
335.26010	13.8
353.27209	27.7
356.18951	2.4
364.91803	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
50.45864	1.9
55.05519	17.7
57.03424	7.8
57.07074	5.0
65.03931	3.5
66.09302	2.1
66.57022	1.9
67.05508	96.3
69.07066	12.4
69.90086	8.3
74.91919	1.8
75.64410	2.1
77.03924	2.6
79.05495	42.6
81.07058	100.0
83.04971	2.0
83.08612	6.8
85.06544	3.6
91.05478	20.1
93.06489	3.3
93.07050	54.3
95.08611	63.2
97.10153	4.4
105.07050	16.1
107.08604	31.8
109.10174	33.5
110.61810	2.1
111.08044	3.7
116.45589	1.9
117.07018	9.0
117.93258	2.0
119.08593	14.3
121.10149	33.8
123.11707	18.2
130.07793	2.2
130.32292	1.8
131.08571	21.1
133.10092	9.7
135.11710	20.4
137.13274	6.7
145.10103	11.6
147.11676	7.9
149.13260	17.1
151.11153	2.1
151.14857	3.4
159.11658	12.0
161.13266	9.1
163.14861	13.7
173.13277	10.8
173.37019	1.7
177.16336	2.8
187.14832	9.7
201.16432	4.7
207.76161	2.2
233.22758	4.4
243.21085	24.1
249.12740	2.1
261.22144	82.7
279.23105	5.3
335.25778	14.3
353.26849	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	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09321	0.4
53.91701	0.4
55.01862	0.6
55.05499	1.0
55.84756	0.4
56.96561	1.3
57.03396	0.4
67.05496	1.9
68.33296	0.4
69.03413	0.4
69.07066	2.1
69.88262	0.8
69.88673	1.4
77.00908	0.5
79.05498	1.6
81.07052	2.4
83.04979	0.8
85.02871	0.5
91.05486	1.6
93.07034	0.9
95.04947	0.7
95.08595	1.0
97.06524	3.1
98.97585	0.7
105.07032	1.8
107.08591	0.9
109.02888	0.5
109.06503	0.8
109.10093	0.8
119.08563	1.1
121.10127	0.5
123.08073	0.5
125.09592	0.5
131.08582	0.4
133.10127	0.8
135.04361	0.6
135.08084	0.6
137.09598	0.4
143.08487	0.5
145.10144	1.1
147.11693	0.7
149.09596	0.4
151.07585	0.5
155.08578	0.5
157.10138	0.6
163.04021	0.7
173.05989	0.7
185.06038	0.5
190.63954	0.4
199.04004	0.5
200.04671	0.7
201.09087	0.4
211.07652	0.7
213.09641	0.5
227.07161	0.8
228.04288	0.4
229.08728	0.4
245.05019	0.4
253.12891	0.6
257.08118	1.9
260.69864	0.5
325.14346	1.0
335.21011	0.9
353.13992	4.0
353.22974	100.0
354.23257	1.9
371.22812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.3
55.05502	31.2
57.07068	11.9
65.50668	7.1
67.01414	7.2
67.05516	61.0
69.03424	7.4
69.07051	13.3
70.33896	6.6
71.54971	12.2
73.06544	28.0
79.05476	30.4
81.07047	46.1
83.04956	18.3
83.08600	8.7
91.05488	25.9
93.07066	37.3
95.04987	17.6
95.08617	37.7
97.06544	8.8
105.07021	27.7
107.08582	21.3
109.06508	14.5
109.10149	29.6
115.35899	6.6
117.07033	10.7
119.08592	13.7
121.10162	11.9
123.04419	43.8
123.11633	10.7
131.08566	17.6
133.10127	22.0
135.11693	8.7
145.10120	11.3
147.11624	7.3
149.13234	6.9
151.07558	9.8
161.13156	6.6
165.09094	10.2
179.07005	12.1
189.12840	9.2
219.13667	9.0
247.13229	8.2
261.22040	19.8
271.16910	19.0
289.17947	100.0
296.71835	6.9
321.20657	81.1
353.16400	7.8
353.23395	13.8
353.28958	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	353.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87864	2.6
53.03957	2.0
55.01873	3.6
55.05521	14.2
56.96558	5.8
57.03425	3.0
57.07072	3.6
67.05512	19.2
68.05824	2.7
69.03419	6.4
69.07053	9.0
69.46309	14.0
71.05001	22.9
74.49891	2.2
79.05491	15.0
81.07059	27.4
83.04968	5.2
83.08621	6.4
85.06536	5.9
89.95729	2.1
91.05486	26.9
93.07050	37.1
95.04979	48.7
95.08605	28.3
97.06519	6.4
97.10194	4.8
98.21545	2.2
98.97588	6.7
99.08090	3.3
105.07034	46.0
107.04926	2.7
107.08595	42.2
109.06509	12.4
109.10167	16.0
111.04433	2.5
111.08084	4.0
115.05455	4.5
116.98660	2.5
117.07037	14.3
119.08591	47.5
121.06509	6.6
121.10155	28.7
123.08066	11.6
123.11694	11.0
125.09657	7.8
128.06189	11.2
129.07022	7.2
131.08571	28.0
132.09340	2.3
133.10144	42.3
134.10429	2.4
135.08069	31.9
135.11697	31.6
137.09622	8.5
141.06958	2.6
142.07805	7.3
143.08575	34.2
145.10143	38.1
146.07294	2.9
147.08052	9.8
147.11726	10.4
149.09654	15.7
149.13264	2.5
151.11226	3.1
153.09125	4.2
154.02504	2.5
155.08521	11.7
156.09354	8.2
157.10135	44.0
158.10904	3.1
159.08080	9.8
159.11720	19.3
161.09621	62.6
161.13255	11.7
162.12311	2.2
163.07555	2.8
163.11174	7.1
167.08611	4.7
169.10121	13.8
170.10849	4.9
171.11694	19.3
172.12531	2.4
173.09654	8.1
173.13269	21.3
173.52792	2.5
175.11176	7.5
175.14836	4.2
181.10080	6.0
182.10962	6.5
183.11691	13.0
185.13203	13.0
187.11234	6.3
187.14830	7.9
189.12732	5.7
189.16316	3.8
191.14322	4.4
193.10165	3.8
195.11737	11.4
197.13217	16.7
199.11240	4.6
199.14897	4.2
201.12691	5.6
201.16415	2.5
203.14384	6.6
205.15930	4.8
207.11819	4.7
209.13269	10.3
211.14856	5.3
213.12727	18.1
213.16304	2.5
215.14305	20.7
215.53217	2.4
221.13307	8.3
223.14816	5.0
225.16382	4.3
227.14430	3.4
227.17950	2.9
231.13835	4.4
235.14992	2.7
237.16449	6.2
238.08031	2.1
253.19653	4.2
253.48651	2.3
261.22205	3.1
265.19574	8.9
271.20721	5.8
272.91931	2.5
276.20364	2.9
277.19614	8.3
283.20538	4.1
289.17880	4.7
293.22821	6.7
295.20596	19.9
311.11667	2.4
317.22507	5.2
335.23721	22.2
349.17358	2.6
353.13229	4.4
353.24823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64454	1.3
55.01869	2.4
55.05503	6.3
57.03444	2.1
57.07064	4.2
59.05016	1.8
67.05511	9.7
69.03432	13.6
69.07076	20.2
69.63744	8.8
70.06582	5.3
71.05006	12.5
72.08160	1.6
79.05495	5.5
81.03417	4.4
81.07053	16.0
83.04972	2.9
83.08640	3.4
83.72778	1.3
84.08166	1.8
85.02918	11.3
85.03350	2.1
85.06530	3.0
85.10184	3.7
86.09706	2.6
88.07629	2.3
89.06017	7.4
91.05484	4.6
93.07050	6.5
94.79893	1.3
95.04967	4.0
95.08612	75.8
96.08949	1.8
97.02895	4.5
97.06490	2.5
97.10170	17.8
98.97604	2.4
99.04466	2.2
99.08102	10.0
99.81091	1.8
100.11239	1.4
104.07088	1.9
105.01847	3.0
105.07030	5.2
107.04967	1.9
107.08588	6.2
109.02883	2.1
109.06525	1.4
109.10152	4.2
111.08077	2.0
111.11730	8.6
111.44060	1.3
113.09650	100.0
117.07042	2.4
119.08581	3.6
120.08149	2.1
121.06533	1.7
121.10184	3.3
123.08092	2.8
127.03920	4.2
131.08585	5.1
133.10135	5.4
135.08069	6.1
135.11734	3.6
137.06007	1.6
137.13257	22.3
143.08537	1.9
145.04997	2.2
145.06497	2.0
145.10155	3.3
147.11685	3.3
149.05940	1.6
149.09631	2.9
149.13246	1.6
151.07533	1.7
155.14302	13.2
159.00609	1.6
163.03889	4.8
163.14793	1.9
165.09065	1.7
173.05954	1.9
173.09689	1.6
173.13261	7.3
173.15392	62.0
175.14815	2.2
176.06886	1.6
185.04320	1.8
189.09058	1.5
191.14326	33.9
191.16431	31.8
209.08061	1.4
311.14813	1.8
321.05899	14.9
336.22931	1.7
353.08478	5.3
353.15619	2.8
353.19540	1.6
353.25372	3.2
354.26395	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
54.49448	0.5
55.01867	1.2
55.05501	2.0
56.96566	0.9
57.03424	1.6
57.07072	0.7
60.04532	0.6
61.02918	1.5
65.03899	0.6
67.05499	2.5
69.03432	17.4
69.06731	0.9
69.07072	12.4
69.71815	3.2
70.06586	0.9
70.34872	0.5
71.04977	1.7
72.08141	1.1
73.02905	1.5
74.06052	0.7
79.05502	2.8
81.03417	3.2
81.07059	3.7
83.01361	0.6
83.04973	2.8
83.08616	1.5
84.08146	2.1
85.02441	0.9
85.02911	13.6
85.06540	0.8
86.09730	1.3
87.04488	0.6
87.07474	0.6
91.03931	1.3
91.05477	3.4
93.07073	3.0
95.04966	0.8
95.08592	4.7
97.02895	4.9
97.06530	1.4
98.97605	4.7
99.04449	1.1
102.83087	0.6
105.07026	4.6
107.04959	0.8
107.08591	8.9
109.02895	1.3
109.06526	2.5
109.10167	1.1
110.97560	1.2
111.08102	5.2
112.99114	0.8
116.98592	0.9
119.08584	4.5
120.08118	0.7
121.06509	2.5
121.10139	7.2
123.04427	0.6
123.08068	3.2
127.03950	3.7
131.08556	7.3
133.07611	0.7
133.10138	6.4
135.08063	13.9
135.11726	2.8
136.07590	0.6
137.05971	1.0
143.00084	0.7
143.08571	1.6
144.09288	0.6
145.04924	1.8
145.09062	0.7
145.10110	2.9
146.06020	1.2
147.07986	0.6
147.11688	4.8
149.09637	12.8
149.13240	2.5
150.10347	0.7
158.10936	2.8
163.03947	1.5
163.11182	0.7
163.14749	3.0
164.07031	0.6
170.99646	0.8
173.13261	16.4
174.05502	8.3
175.14787	0.6
179.03397	1.2
191.14314	100.0
192.06544	4.2
218.99734	0.9
219.01816	1.4
237.00717	1.7
237.02802	0.8
297.01187	0.6
305.63055	0.6
311.60477	0.6
353.12579	2.0
353.19614	10.6
354.11771	4.9
363.09412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75759	9.2
52.70052	8.4
55.41156	8.8
57.07087	11.1
60.45634	9.5
65.36391	9.4
66.47650	8.0
67.05514	26.9
69.07081	18.5
71.24338	19.1
74.63888	8.6
79.05481	16.4
81.03387	9.0
81.07063	48.5
91.05492	18.3
93.07055	26.2
95.08631	26.6
100.63111	9.2
102.58291	11.3
104.15683	10.0
105.07052	28.3
107.04984	11.0
107.08620	16.4
114.92740	9.3
119.08591	13.0
120.24474	8.6
121.10188	18.1
131.08589	9.8
133.10152	29.0
135.11665	12.1
145.10167	10.9
147.11792	10.8
209.15392	10.9
219.17647	9.1
275.20145	100.0
307.22644	48.6
334.24313	14.1
352.23508	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	0.5
69.03421	0.8
69.67352	1.4
69.67789	1.4
70.06590	0.9
72.08165	0.7
83.87408	0.4
85.02904	1.8
97.02880	0.9
98.97583	1.6
120.08095	0.5
120.57695	0.4
122.18809	0.4
127.03915	0.7
145.02841	0.6
146.06001	1.9
147.04436	0.6
151.07578	0.6
163.03951	1.4
175.03888	1.3
176.04617	0.5
179.03346	1.1
185.04240	1.0
188.07088	0.5
190.05997	0.7
191.06837	0.6
201.05490	0.5
219.01787	0.5
219.06517	0.7
231.07057	0.4
265.07068	1.0
265.18869	0.5
295.44812	0.5
307.13162	0.4
338.08539	0.7
353.12073	100.0
354.12433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65961	1.8
53.03939	2.3
55.01871	2.2
55.05512	10.7
57.03435	6.3
57.07066	6.0
61.02927	3.4
65.03952	2.0
67.05504	20.7
67.94102	2.0
69.03439	20.0
69.07072	15.4
70.06587	4.7
71.01302	2.2
71.05002	29.4
71.40341	1.9
72.08163	3.9
79.05516	9.6
81.03397	6.1
81.07063	47.9
83.04977	4.5
83.08617	7.6
84.08137	4.2
85.02911	20.6
85.06558	15.4
86.09710	4.2
91.05487	14.8
93.07056	15.3
95.04964	8.4
95.08619	41.6
97.02910	9.4
97.06512	6.1
97.59426	1.9
98.97649	2.1
99.04448	3.7
99.08084	3.7
103.03884	2.2
105.03448	2.5
105.07046	19.2
107.04955	5.6
107.08605	33.9
109.02877	2.2
109.06518	6.4
109.10177	12.0
110.07180	2.5
111.04433	2.4
113.06030	2.1
117.07050	4.9
119.08612	17.3
121.06508	21.0
121.10166	24.4
123.08079	3.8
125.69730	1.9
127.03915	7.4
131.08582	18.0
133.06444	2.3
133.10138	20.0
135.08067	19.4
135.11726	9.3
136.07576	4.1
137.05933	2.5
137.09634	3.3
137.13249	10.8
140.22983	2.1
143.08536	5.9
144.09280	2.9
145.04968	5.9
145.10164	12.2
147.11636	10.9
147.52809	2.4
149.09615	15.0
149.13271	7.9
153.27740	2.2
155.10666	2.6
155.14302	37.6
156.11084	2.6
157.10133	3.2
158.10898	6.7
161.09586	4.0
161.13338	3.7
163.11253	2.7
163.14896	14.2
167.14371	2.8
171.11700	2.6
173.11852	2.4
173.13274	39.0
173.15401	19.5
174.12109	4.2
175.14827	22.8
179.10712	2.3
189.12825	2.4
191.08411	2.8
191.14337	100.0
191.16377	16.8
193.15964	2.6
203.14369	3.8
209.15404	6.2
264.08365	1.9
279.83594	2.2
287.16351	2.5
304.24777	1.9
321.10910	2.4
335.18793	4.6
345.39795	2.2
353.15891	3.6
353.19617	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01871	2.6
55.05516	11.0
56.05037	13.8
56.05814	1.1
56.73938	1.1
56.96559	2.2
57.03435	4.6
58.06609	23.3
59.05001	1.5
60.04531	11.0
65.03957	1.4
67.05509	36.2
68.05832	2.0
69.03408	1.7
69.07076	18.2
70.06564	1.2
71.04993	2.7
71.08620	6.2
71.53483	2.2
72.08972	1.2
79.05081	1.5
79.05501	19.9
80.04993	1.7
80.05826	2.4
81.03426	2.1
81.07061	23.8
82.07388	3.2
83.04979	2.2
83.08600	3.9
84.08969	1.4
85.06544	2.5
91.05488	21.6
92.05832	2.5
93.07047	23.2
94.06561	3.1
94.07370	3.3
95.04960	3.5
95.08618	23.0
96.08936	2.7
97.06535	3.2
97.10146	2.2
98.97578	2.4
99.08108	6.3
100.07621	9.7
105.07030	18.1
106.07372	2.9
107.04954	3.1
107.08598	14.1
108.08839	2.2
109.06504	3.1
109.10168	25.1
110.10502	1.4
111.08094	2.6
116.98634	1.4
117.07012	4.2
119.08581	18.5
120.08897	1.5
121.06487	1.3
121.10146	13.4
122.10452	2.8
123.08064	3.2
123.11755	1.7
125.09678	2.4
129.06973	2.1
131.08578	7.7
133.10146	15.3
135.08083	1.6
135.11690	5.4
136.11185	3.0
136.12077	2.1
137.05989	1.5
137.09608	13.1
143.08554	2.5
145.10136	5.2
147.11711	6.7
149.09656	2.6
149.13214	2.5
151.11157	2.9
152.11511	1.8
154.12279	100.0
155.10670	1.8
157.10155	1.8
159.11694	4.8
161.09689	1.3
161.13240	2.0
162.13507	1.9
163.11162	2.2
163.14886	1.3
169.10068	1.7
171.11716	1.6
172.13329	48.7
173.11766	4.3
173.13220	2.1
175.14891	1.8
177.12762	1.7
179.14293	7.6
180.14632	4.4
196.13335	41.5
197.13199	1.8
214.14409	12.5
222.14789	2.5
239.17958	3.5
242.19908	1.3
257.19000	4.7
260.20911	2.8
265.10953	2.2
269.10611	1.2
274.21625	3.5
275.20062	18.6
277.21918	1.3
278.22003	8.2
292.22690	11.8
293.21021	4.0
310.23709	1.3
311.11578	2.8
316.22968	1.5
334.23734	7.7
352.24982	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.7
55.05518	15.3
56.05024	5.5
57.03435	3.3
58.06601	5.1
60.04522	13.1
65.03945	2.8
67.05508	31.0
68.05837	3.7
69.07072	38.0
69.73161	11.0
70.06567	2.3
71.04987	3.1
71.08636	4.8
72.08940	2.9
72.98522	2.0
76.50452	1.8
79.05080	2.3
79.05502	28.6
80.05020	25.6
81.03415	2.3
81.07059	32.9
82.06573	3.9
82.07384	3.1
83.04988	2.2
83.08614	7.4
84.08148	3.3
91.05482	27.8
92.04993	2.9
93.07053	27.7
93.35402	1.9
94.06577	18.1
95.04974	7.2
95.07355	3.6
95.08608	23.1
96.08128	2.3
97.06525	6.5
97.10180	6.1
99.08083	2.9
105.07046	29.5
106.06564	3.7
106.07607	1.9
107.04948	3.0
107.08605	24.8
108.08109	5.8
109.06532	3.1
109.10150	7.5
111.08056	2.5
117.07019	6.9
119.08607	20.9
120.08127	2.7
121.10162	8.6
122.09681	2.3
123.08064	2.4
123.11773	2.8
125.09615	5.3
127.89965	2.0
129.07028	2.3
131.08557	7.1
133.10136	19.7
134.09599	2.7
135.11739	6.8
136.11214	2.3
137.09647	4.5
138.12764	2.3
143.08549	3.3
145.10127	9.4
145.25499	2.1
147.11725	13.1
148.11185	3.5
149.09651	4.1
151.11235	3.2
154.12248	17.2
157.10043	2.0
159.11707	7.0
161.13266	6.1
163.11224	4.8
168.13733	2.3
172.13327	6.3
173.13278	5.7
176.14368	5.8
177.12804	4.3
179.14252	3.8
180.13943	3.7
186.14922	2.2
189.12779	2.1
192.13840	3.2
196.13400	4.4
198.14952	2.0
204.13869	19.1
206.15373	5.3
210.14871	4.2
222.14915	35.8
223.15680	5.8
224.16478	5.5
236.16454	3.7
239.18039	2.6
257.19025	14.8
260.20953	2.9
274.21637	20.5
275.20078	43.8
275.22845	3.8
278.22021	5.4
290.21155	4.0
292.22723	98.3
293.21140	5.3
311.96545	2.1
316.22592	4.6
334.23801	21.5
352.24933	100.0
353.25253	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	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
54.97899	1.4
55.01858	1.5
55.05514	9.4
56.05030	3.4
56.96565	6.5
57.03431	1.9
58.06604	100.0
60.04530	14.3
61.02925	1.4
67.05192	1.5
67.05513	24.4
68.05817	2.2
69.03436	1.4
69.07062	7.5
70.39823	2.3
71.04994	1.6
71.08628	3.6
73.02908	2.3
79.05493	26.1
81.03387	1.3
81.07056	18.6
82.07391	1.9
83.04978	1.8
83.08614	4.4
84.08142	1.2
85.02908	2.3
85.06532	1.5
91.05485	30.5
93.07047	18.0
94.06581	3.3
94.07393	1.9
95.04986	3.3
95.08605	13.0
97.02903	3.3
97.06531	2.3
97.10168	3.6
98.03223	1.5
98.09743	1.6
98.97582	4.7
99.08139	1.2
100.07626	40.9
105.07036	27.8
105.07693	2.6
107.08600	10.3
108.08089	1.4
108.08893	1.3
109.10162	13.2
110.97557	1.6
112.41619	1.2
112.99144	1.7
116.98616	2.0
117.07038	6.4
119.08591	11.6
121.06412	1.1
121.09340	1.8
121.10155	25.9
122.25729	1.4
125.09673	2.1
129.07011	2.8
131.00177	5.4
131.08569	13.1
133.10143	31.0
135.11705	3.6
136.12141	1.5
137.09598	4.1
140.10770	1.1
141.06981	1.6
143.08568	1.5
145.10141	7.5
147.03058	2.4
147.11676	4.7
147.53214	1.2
149.01225	8.4
149.09648	2.1
151.11209	1.4
154.12271	21.7
155.08551	1.4
156.03635	3.0
156.53784	2.8
157.10136	2.9
158.99629	2.8
159.11702	5.7
159.79324	1.2
161.13240	1.3
167.54375	1.9
171.11679	2.8
172.13344	10.3
173.11755	3.1
173.13261	4.9
177.00691	1.2
179.14407	2.5
180.13734	13.2
183.11743	2.7
191.02409	1.6
196.13342	11.2
197.13303	3.0
211.14902	1.6
214.14421	2.8
228.05780	1.5
228.55815	1.7
229.19542	3.0
239.17944	8.4
257.19009	11.5
260.21054	1.7
267.99594	1.2
270.12964	6.1
270.63177	13.9
271.13376	3.1
274.21591	2.3
275.20071	21.8
275.22818	2.2
278.21976	1.9
292.22769	11.0
303.16287	2.5
306.24237	1.4
316.22760	3.6
334.23831	6.5
351.65820	29.4
352.16046	11.2
352.24866	82.0
352.65967	2.7
353.24954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.9
55.01863	3.3
57.03424	4.7
61.02920	6.1
68.99783	3.2
69.03433	33.0
69.07071	85.9
70.66481	3.9
71.05023	3.7
72.08154	2.1
73.02923	5.7
81.03419	18.5
85.02908	87.6
86.09711	7.1
87.00829	51.0
91.05503	3.5
93.07027	2.4
97.02892	52.9
98.20867	2.2
99.04464	11.6
104.07114	5.4
105.01867	100.0
107.04910	3.2
108.04459	2.3
109.02888	20.3
112.94395	1.8
117.01852	3.2
127.03920	83.5
129.01871	3.3
145.04967	63.9
159.02908	13.2
189.03951	2.8
213.03908	3.3
231.05005	33.6
249.06099	17.7
329.22113	2.3
352.25006	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99061	3.3
53.03949	3.6
55.05513	5.6
56.96572	6.4
57.03431	5.0
67.05514	16.3
69.03424	7.8
69.07075	4.6
69.50196	21.7
70.06609	4.6
71.04999	5.5
72.08169	19.5
79.05505	13.8
81.03427	100.0
81.07060	16.0
82.03715	3.3
82.06597	4.3
83.04991	8.7
83.08627	24.4
84.08149	7.1
84.08932	3.1
85.06556	3.6
86.09724	3.4
91.05483	18.6
93.07078	13.8
95.04962	26.8
95.08626	7.8
97.02905	6.2
97.06540	7.0
97.10197	2.9
98.20757	3.7
98.97562	15.9
100.07629	2.7
105.07027	15.2
105.54041	2.7
107.04956	10.5
107.08612	8.5
109.06526	3.8
109.10171	8.7
111.08112	12.3
116.98638	3.6
119.08616	19.1
120.08129	3.3
121.10145	9.0
129.07019	11.8
131.08592	12.7
133.10139	18.1
134.10498	3.7
135.08121	3.9
138.45401	3.2
147.11682	9.6
149.09645	7.2
151.11185	12.8
157.10136	13.4
158.99678	4.8
161.09578	3.9
163.03996	3.6
175.11177	14.6
179.10759	4.5
193.12256	89.1
211.13301	7.2
215.12798	3.0
229.07352	3.4
238.17970	7.3
253.14478	5.4
267.15982	54.4
271.15405	4.8
285.16983	73.3
299.18591	4.5
302.09073	3.2
317.16006	9.6
321.11292	3.0
332.10056	3.7
335.27020	4.4
340.06146	3.4
352.05716	3.9
352.13834	5.7
352.25128	4.9
352.29672	10.2
353.10092	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	351.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	5.9
53.03942	5.4
55.05503	19.9
57.07084	5.1
59.14685	4.9
65.14209	4.4
67.05502	22.3
69.07069	51.7
71.04974	11.0
71.36687	7.9
73.62570	4.4
74.48365	5.2
79.05481	29.4
80.72009	4.7
81.07057	57.0
83.08611	13.1
91.05478	44.7
92.90125	4.6
93.07051	62.1
95.04971	19.3
95.08614	58.1
97.06523	16.9
98.20788	4.8
105.07028	76.2
107.08595	50.3
109.06516	11.7
109.10160	53.7
117.07034	12.7
119.08586	100.0
121.10135	47.5
123.11684	11.4
128.06273	8.1
129.06975	6.9
131.08591	36.9
133.10103	38.7
135.08038	16.1
135.11690	11.1
137.09558	7.4
137.13228	9.4
141.06902	4.8
142.07764	16.3
143.08582	29.3
144.09288	5.1
145.10127	51.4
146.07214	6.9
147.08034	5.8
147.11699	25.4
149.09598	15.5
149.13257	6.4
156.09351	9.7
157.10158	30.5
159.11671	25.9
161.09625	46.8
161.13260	16.3
163.10992	5.4
169.10197	9.3
171.11687	28.0
173.13266	15.0
175.11218	7.7
175.14839	17.6
177.16374	21.3
183.11678	9.8
185.13245	18.0
187.14828	9.3
189.16403	13.5
194.10956	5.5
199.14790	9.8
201.16382	8.7
203.17972	8.3
209.13261	16.2
227.14362	5.4
351.26880	25.8
373.64273	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01859	1.0
55.05510	3.9
56.96573	3.7
57.03437	1.7
67.05507	11.3
69.07068	5.0
69.87492	2.6
69.87897	1.3
71.04964	1.0
71.08642	4.8
79.05498	10.8
81.03427	1.1
81.07059	11.0
83.04958	1.1
83.08609	2.6
85.02948	0.7
85.06513	0.9
89.61793	0.8
91.05483	7.7
93.07051	12.7
95.04982	1.4
95.08597	6.3
97.06540	1.6
97.10197	1.1
98.21422	1.1
99.08103	4.4
105.07030	7.4
107.08596	7.9
109.06516	1.2
109.10152	3.3
111.08081	1.2
113.09720	0.9
117.07025	1.1
118.46640	0.8
119.08579	6.3
121.10154	6.0
122.03658	3.3
123.11685	1.5
125.09660	1.0
128.98605	0.8
129.06985	1.0
131.08568	2.2
131.37512	0.7
133.10162	5.4
135.11691	5.8
137.05984	100.0
143.08588	1.6
145.10139	2.9
147.11693	4.6
149.13271	2.6
151.11212	2.5
153.12775	1.2
157.10173	1.4
159.11760	1.9
161.13248	3.7
163.11221	1.1
165.12726	0.9
165.55327	0.7
170.15419	2.3
171.11780	2.0
175.14767	1.6
179.14328	5.3
182.15399	4.8
185.13330	1.3
189.12798	1.2
221.82051	0.8
226.11229	1.1
241.19604	3.1
259.20572	6.3
277.21646	6.1
297.31906	0.8
306.20654	6.8
333.17392	2.9
351.18042	5.3
351.21667	2.3
351.25397	11.4
352.25049	1.2
357.10684	0.8
369.19604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
55.01864	3.8
55.05279	2.0
55.05515	24.6
56.96553	4.7
57.03442	30.0
57.07061	3.0
59.04995	1.8
65.03946	2.8
67.05509	55.1
69.03440	1.3
69.07072	16.8
71.04980	2.0
71.53745	1.4
75.04484	1.6
78.38030	1.4
79.05497	52.5
79.50669	1.2
81.03391	1.3
81.07060	58.5
83.04965	5.5
83.08625	18.1
85.06542	6.7
91.04906	2.4
91.05488	43.4
93.07050	76.1
95.04951	6.6
95.08613	46.5
97.06531	6.5
97.10162	5.0
98.97587	10.0
99.08089	4.0
105.04532	2.4
105.07036	40.6
107.04965	1.7
107.08607	41.9
109.06512	5.1
109.10165	18.3
111.08064	5.3
113.09632	2.0
116.98589	4.4
117.07014	12.6
119.07702	1.9
119.08582	35.7
121.10147	36.7
123.08052	4.4
123.11700	8.1
125.09604	2.8
129.07027	6.5
131.08563	17.2
133.10143	31.9
134.10527	1.5
135.08041	2.7
135.11708	29.5
137.09601	3.6
139.11153	2.3
143.08586	7.3
145.10132	17.1
147.11705	34.1
149.09610	2.3
149.13261	23.6
151.11151	3.0
154.94138	1.6
157.10121	8.2
159.11710	17.6
160.11185	5.2
161.13258	18.1
163.11148	3.7
163.14821	6.7
165.12741	3.1
171.11710	8.4
173.13257	10.1
175.11143	2.1
175.14844	8.8
177.12840	1.9
179.14322	1.8
185.13258	8.9
187.14795	8.8
189.12653	1.8
195.13945	1.3
199.14842	4.3
201.16408	1.9
205.15884	2.9
213.16414	3.1
216.81299	1.4
217.19489	2.4
221.15462	1.6
221.19005	3.7
231.17448	1.8
231.21056	4.8
241.19521	19.4
259.20581	54.4
277.21637	23.1
291.12585	2.4
295.12051	1.4
305.20227	1.4
309.13754	5.6
333.24255	8.0
351.15070	11.3
351.20673	6.9
351.25269	100.0
352.25534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11589	1.6
50.25629	1.8
53.03939	5.3
55.01864	7.5
55.05273	2.3
55.05515	27.3
56.96557	3.9
57.03440	17.8
57.07071	6.7
65.03938	3.4
67.05508	74.9
69.07072	27.2
69.97646	1.6
71.04979	3.9
71.08637	60.9
71.53872	2.0
79.05496	58.1
81.03403	9.3
81.06591	3.5
81.07059	70.5
83.04989	10.0
83.08621	15.0
84.66025	1.5
85.06542	5.5
91.04913	1.8
91.05480	43.8
93.07049	77.8
95.04977	16.3
95.08613	51.7
97.06548	10.1
97.10184	6.0
99.08099	38.9
105.07025	33.6
107.04916	8.8
107.08593	41.7
109.06522	7.0
109.10167	23.2
111.04422	3.9
111.08090	5.6
113.09684	2.6
117.07037	9.7
119.08581	31.5
121.06492	1.8
121.10149	34.0
123.08076	4.8
123.11685	4.7
125.09652	5.3
129.06987	4.2
131.08551	12.4
133.10133	21.5
135.08099	3.0
135.11696	39.4
137.05983	12.6
137.09627	6.7
137.13248	2.5
141.09154	3.0
143.08592	5.6
145.10107	10.0
147.11711	18.6
149.09660	2.8
149.13248	16.8
151.11197	24.8
153.12695	2.1
154.12289	6.0
157.10138	5.1
159.11708	7.8
160.99146	1.7
161.09651	2.6
161.13255	25.1
163.11176	10.0
163.14830	3.6
165.12714	2.6
167.10651	2.7
171.11699	6.3
172.13356	4.7
173.13254	7.0
175.11243	2.8
175.14824	6.7
177.12775	4.5
179.14317	100.0
181.12303	1.8
185.13301	3.0
189.12794	6.3
195.13771	2.0
196.13333	2.3
199.15012	2.6
203.14224	2.3
203.17772	2.1
207.13786	1.7
213.16357	1.7
221.15320	2.7
229.07564	2.3
231.21042	3.8
235.16980	5.8
241.19557	8.5
253.94429	2.0
255.15054	2.0
259.20618	22.6
277.18176	7.7
277.21619	59.1
333.17477	3.4
351.18713	13.9
351.25339	82.9
352.25156	2.6
369.19479	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01870	2.2
55.05513	17.5
56.96550	7.2
57.03435	11.7
57.07067	4.0
65.03931	2.1
67.05508	50.0
68.33782	1.6
69.03432	1.9
69.07082	17.4
71.04965	3.9
71.08657	2.7
71.24030	2.9
75.04454	3.0
77.03909	1.9
79.05496	65.9
81.06593	3.4
81.07059	63.9
83.04966	2.6
83.08607	7.6
85.06541	6.2
91.05486	59.8
93.07045	92.3
95.04961	7.0
95.08070	2.5
95.08612	39.1
97.06548	4.0
97.10151	3.9
98.97594	2.3
99.08080	6.0
105.04514	2.5
105.07031	58.4
107.08599	55.6
109.06535	2.2
109.10139	16.7
111.08079	3.0
111.11680	1.8
117.07017	11.9
119.08590	57.1
121.10147	45.5
123.11697	5.2
129.07007	8.0
131.08582	20.0
133.10130	47.3
135.08086	3.6
135.11705	40.0
137.09608	3.2
139.11142	1.8
143.08580	10.3
145.10129	21.5
145.48817	2.2
147.08029	2.2
147.11696	45.5
149.09616	3.2
149.13266	26.3
151.11189	2.0
157.10130	8.8
159.11725	19.0
161.09604	2.9
161.13278	35.1
163.03891	2.2
163.06604	1.8
163.11191	2.3
163.14888	9.0
165.12749	2.0
171.11671	14.7
173.13249	11.6
175.11215	1.8
175.14836	19.3
177.12747	4.1
179.14326	2.7
185.13252	15.7
187.14783	4.3
189.12717	3.2
199.14848	8.2
203.14253	2.5
213.16449	4.1
215.17903	2.2
217.07671	1.7
217.19489	3.9
221.15442	1.8
231.21048	8.1
241.19513	36.2
255.09521	4.3
259.20587	96.9
264.10159	15.4
277.21634	17.6
333.24170	11.5
334.50931	1.8
351.25320	100.0
352.25656	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38239	1.1
53.03940	5.3
55.01868	1.7
55.05515	15.9
57.03446	8.2
57.07070	3.1
63.76342	1.1
65.03924	2.1
67.05510	50.0
68.03125	1.2
69.07075	17.1
69.32372	7.2
69.32790	3.9
71.04988	3.2
71.08626	3.1
75.04482	2.1
77.03946	2.0
78.04640	1.2
79.05499	68.9
81.03423	2.7
81.07063	51.4
83.04973	2.8
83.08630	8.4
85.06559	3.7
91.05486	52.0
93.07050	90.5
95.04967	4.8
95.08614	38.3
97.06532	3.8
97.10155	3.9
98.21542	2.4
99.08092	4.1
105.04543	1.8
105.07042	53.2
107.08603	54.4
109.06509	1.7
109.10165	16.0
111.08115	2.2
113.09656	1.6
117.07030	10.9
119.08592	52.7
121.06555	1.2
121.10150	45.0
123.08089	1.3
123.11716	4.6
125.09641	1.9
129.07016	9.0
131.08572	23.3
133.09123	2.2
133.10141	46.8
135.08078	2.5
135.11703	44.0
137.13313	2.0
142.07755	1.8
143.08577	10.4
145.10126	22.3
145.11174	2.2
147.08054	1.6
147.11703	45.8
149.09653	2.6
149.13271	27.6
151.11229	3.2
157.10123	8.9
159.11696	20.5
161.09596	2.4
161.13269	36.0
163.11180	2.8
163.14801	9.3
165.12743	1.8
171.11694	13.8
173.13284	10.4
175.11165	3.4
175.14841	18.6
177.12761	3.2
179.14326	4.4
185.13258	11.9
187.14780	2.8
189.12688	3.0
189.16454	1.9
191.14389	1.7
199.14836	8.3
201.16425	1.6
203.14392	3.0
203.17720	1.6
213.16391	4.5
215.17845	1.6
217.15843	2.1
217.19492	6.1
220.77489	1.4
221.15392	2.4
231.17558	2.8
231.21065	9.5
241.19533	44.1
259.20596	100.0
261.22107	1.7
277.21661	17.3
333.24139	10.8
351.25314	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.0
53.03938	2.6
55.01874	2.7
55.05270	1.4
55.05515	17.1
57.03437	13.2
57.07072	3.0
59.05013	1.0
62.64033	1.0
63.08247	0.9
65.03954	1.3
67.05505	50.3
69.03417	1.0
69.07068	17.0
69.17846	9.7
71.04993	1.5
71.08633	51.7
77.03911	1.0
79.05495	37.6
81.03416	6.5
81.07057	46.3
81.28881	1.2
83.04978	10.5
83.08626	9.3
85.06534	3.9
91.05486	26.9
93.07048	52.5
95.04967	9.3
95.08612	32.9
95.09071	0.7
97.06542	10.2
97.10172	4.2
99.08093	31.3
105.07031	19.0
107.04955	7.8
107.08594	28.9
109.06525	3.4
109.10162	16.3
111.08080	4.0
113.09649	3.2
117.07019	3.4
119.08579	16.3
120.97074	1.0
121.06490	1.5
121.10148	23.5
123.08089	3.1
123.11692	2.3
125.09612	2.1
127.11195	1.8
129.07004	3.1
131.08609	4.5
133.06520	1.3
133.10130	13.1
135.08061	1.8
135.11697	30.1
137.09612	4.4
137.13158	1.3
139.11209	1.4
141.09090	2.9
143.08568	3.5
145.10156	4.9
147.11694	6.1
149.09651	1.8
149.13269	11.8
151.11179	21.0
153.09082	1.1
153.12717	2.4
157.10110	2.7
159.11711	4.9
161.09615	1.0
161.13246	12.1
163.11140	5.5
163.14818	2.8
165.12770	1.6
167.10727	2.6
167.89679	1.0
171.11696	3.4
173.13278	2.0
175.14845	2.8
177.12775	3.8
179.14313	100.0
185.13315	2.2
189.12767	2.5
195.13809	1.4
199.14854	2.1
208.10947	1.0
217.15793	1.2
221.15408	3.0
235.16937	5.8
241.19507	3.3
259.20624	9.1
277.21619	45.6
292.22589	1.1
295.22675	1.2
308.09921	1.0
331.65616	1.0
351.25330	52.8
352.25003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.8
57.03434	8.6
57.07079	2.3
62.46827	1.6
65.03937	2.6
67.05503	42.9
69.07056	13.9
70.98634	4.7
71.04999	3.7
71.08611	2.4
74.88139	2.0
79.05494	62.6
81.07054	50.8
83.08607	8.5
83.34129	2.2
85.06532	2.2
91.05482	47.2
92.16693	1.9
93.07050	89.1
95.04991	3.3
95.08617	33.1
97.06497	4.0
97.10153	2.3
99.08105	2.5
99.25257	2.0
105.07036	53.1
107.08597	55.9
109.10147	11.4
117.07029	11.3
119.08586	55.7
121.10145	43.9
122.49370	2.5
123.08112	3.8
123.11711	3.3
129.07022	12.0
131.08583	17.8
133.10146	49.2
135.11697	41.9
137.09569	2.1
143.08559	9.8
145.10130	19.2
147.11691	41.8
149.09598	2.5
149.13245	26.5
157.10152	9.5
159.11703	25.1
161.13268	36.7
163.14839	9.6
165.12724	2.3
165.28886	1.9
171.11703	12.6
173.13242	8.8
175.11108	3.3
175.14822	12.7
177.12758	2.3
185.13332	9.7
187.14876	3.4
199.14841	7.3
213.16496	3.9
215.18063	2.9
231.17453	2.8
231.21075	6.0
241.00627	2.2
241.19524	38.3
259.20584	100.0
277.21594	15.8
317.69308	1.8
333.24118	10.8
351.25314	85.6
352.25711	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67302	1.5
52.94296	1.5
53.03936	4.4
55.01864	5.1
55.05270	2.0
55.05512	29.5
56.44659	1.9
56.96557	3.7
57.03438	34.9
57.07052	2.6
59.85461	1.5
65.03939	1.8
67.05505	51.3
69.07071	24.4
69.68871	1.7
70.03468	7.6
71.04997	4.2
71.08627	2.4
79.05494	50.9
81.07059	67.8
83.04974	3.9
83.08620	15.0
85.06533	5.0
91.05484	46.9
93.07047	71.8
95.04952	7.5
95.08609	51.8
95.99241	1.6
97.06538	9.8
97.10152	4.2
98.97569	6.4
99.08076	4.8
105.07037	44.8
107.08599	43.1
109.06525	4.1
109.10162	17.9
111.08079	3.8
116.98601	4.3
117.07011	11.6
119.08577	33.7
121.06452	2.5
121.09331	3.1
121.10143	35.0
122.70158	1.8
123.08052	7.2
123.11701	5.2
125.09599	3.3
128.06215	1.7
129.06996	6.8
131.08565	17.2
133.10124	41.4
134.09631	2.0
135.07976	1.7
135.11691	30.0
137.09618	3.4
139.11055	2.3
143.08589	5.3
144.08034	1.8
145.10104	14.3
147.11693	35.2
149.09595	4.6
149.13266	16.9
151.11072	2.4
154.94174	1.9
157.10106	7.7
159.11688	17.4
160.11278	9.6
160.12370	1.7
161.13274	17.7
163.11137	3.1
163.14816	7.5
165.12712	3.0
171.11739	9.3
173.11978	1.9
173.13235	9.9
175.14787	10.1
177.12798	2.1
178.12245	4.8
179.14285	2.6
185.13245	7.8
187.14796	8.2
189.12726	3.3
198.96869	2.1
199.14821	4.7
205.15855	4.8
213.16319	1.9
221.19067	2.3
231.17593	2.2
231.21100	6.2
241.19502	20.2
259.20615	45.0
261.22110	3.3
277.21680	28.8
291.13132	1.6
299.37851	2.1
309.13525	2.9
322.65714	4.3
333.24289	9.4
350.66919	1.9
351.14908	8.5
351.21539	3.6
351.25284	100.0
353.85489	1.8
369.19897	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01876	1.9
55.05518	15.4
56.11966	1.5
57.03442	8.0
57.07075	1.4
59.01614	1.6
64.88504	1.6
65.03934	3.5
67.05512	38.5
69.07071	13.6
70.77366	5.4
71.04970	3.7
71.08583	1.8
72.90806	1.5
75.04482	3.7
77.32083	1.8
79.05498	57.8
81.06596	3.3
81.07060	52.6
83.04997	2.0
83.08614	7.2
85.06541	4.4
86.58248	1.9
91.05491	50.5
93.07050	81.8
93.07645	3.9
95.04948	3.3
95.08611	35.9
96.52003	1.5
97.06538	5.0
97.10171	2.6
99.08099	3.6
105.07041	51.5
107.07894	2.5
107.08607	44.0
109.06511	2.4
109.10162	12.9
113.09686	2.0
117.07046	10.3
119.08589	48.9
121.10154	40.1
123.11732	2.6
127.07467	1.8
129.07001	8.1
131.08575	18.9
132.01561	1.6
133.10141	40.1
135.11711	37.5
137.09567	4.2
143.08565	8.6
145.10135	18.4
147.11702	44.0
149.09555	2.0
149.13278	24.0
157.10152	9.2
159.11703	18.1
161.13272	35.0
163.11221	2.8
163.14816	11.7
165.12669	1.9
171.11696	11.9
173.13255	11.9
175.11243	2.3
175.14832	17.4
177.12775	3.0
185.13313	13.3
187.14864	4.2
189.12823	3.7
199.14789	9.8
200.64629	1.7
203.14418	2.5
213.16418	3.5
215.17850	1.8
217.19507	5.7
231.17509	2.1
231.21088	8.6
241.19514	37.5
243.21025	1.7
256.91669	1.8
259.20590	100.0
261.22083	2.3
277.21619	16.2
333.24298	12.4
351.25308	85.4
352.25513	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62880	1.8
53.03942	6.8
54.18190	1.8
54.91420	1.7
55.01871	7.0
55.05508	22.5
56.96563	7.6
57.03445	12.5
57.07074	4.0
65.03940	4.2
67.05508	56.4
69.07068	22.5
69.21478	20.1
71.04996	7.3
71.08648	4.4
77.03950	2.2
77.91190	1.9
79.05495	69.8
81.03452	2.4
81.07060	73.1
83.04996	4.7
83.08624	8.0
85.02917	2.0
85.06548	5.3
91.05488	57.6
93.07049	96.5
95.04977	7.0
95.08608	39.4
97.06539	6.4
97.10175	4.6
99.08106	6.9
103.05478	2.3
105.04515	2.2
105.07034	60.9
107.08599	56.3
109.06531	11.5
109.10165	18.9
111.04459	7.6
111.08072	4.6
113.09637	3.4
117.07010	11.4
119.08585	61.7
121.06495	3.2
121.10152	45.3
121.11037	2.3
123.08108	5.0
123.11703	7.3
125.05956	2.9
125.09616	3.0
128.06102	2.6
129.06993	8.0
131.08582	23.1
131.33609	2.2
133.10139	49.0
135.08080	4.2
135.11696	41.5
137.05986	51.4
137.09605	3.3
137.13264	4.6
143.08617	9.8
145.10120	19.9
147.08080	2.0
147.10527	2.9
147.11690	49.0
149.09648	6.6
149.13264	26.5
151.11209	5.5
153.51140	2.2
157.10127	10.9
159.11690	16.5
161.09674	4.7
161.13271	38.1
163.11244	5.5
163.14857	9.2
165.12759	3.2
171.11688	13.1
173.13277	11.6
175.11214	5.4
175.14832	20.1
177.12717	5.6
179.14331	3.1
185.13246	14.5
187.15013	2.3
189.12770	3.3
191.14270	2.3
198.92201	1.9
199.14803	7.1
203.17886	3.1
205.19611	2.4
210.67403	2.2
213.16414	4.6
217.15872	2.3
217.19571	5.6
231.17421	7.0
231.21056	10.3
241.19524	35.4
249.18480	4.2
259.20584	100.0
277.17996	26.0
277.21609	18.9
295.19128	4.0
333.24298	13.8
347.15671	1.9
351.21298	31.1
351.25317	99.3
354.64005	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	351.2145
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01874	0.7
55.05510	1.5
56.96561	3.1
67.05513	3.7
67.54489	0.5
67.74324	0.5
69.03413	0.8
69.07068	1.6
71.05003	0.6
71.08630	1.8
71.14684	1.1
71.85751	0.5
74.57528	0.5
79.05492	3.3
81.07055	3.2
81.90870	0.6
83.08618	1.8
91.05508	2.6
93.07044	2.5
95.08598	2.2
97.06532	1.8
98.97562	0.8
99.08088	2.1
105.07037	1.3
107.04938	1.0
107.08591	2.0
109.10110	1.3
111.08123	0.8
119.08591	1.7
121.10143	1.4
131.08615	1.1
133.10144	1.1
135.11667	0.8
143.08652	0.7
145.10147	0.9
147.11719	1.3
151.11232	1.1
159.11754	0.7
163.11234	0.9
170.99643	0.6
171.11781	0.6
179.14249	0.7
229.07442	0.9
231.10886	0.9
241.11198	1.3
253.11079	2.9
259.12274	1.5
271.12170	3.4
277.21365	1.1
294.13806	0.7
351.21436	100.0
352.21747	1.3
369.19781	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03951	0.7
55.05497	1.7
56.96568	0.8
57.03415	0.8
58.11931	0.4
61.60328	0.4
67.05508	6.2
69.07081	2.2
69.24247	1.9
69.24677	2.1
71.08636	2.5
79.05492	5.6
81.03393	0.7
81.07053	5.0
83.04953	0.5
83.08635	1.1
85.60560	0.4
91.05482	4.8
93.07042	6.3
95.04947	1.2
95.08610	3.6
97.02901	0.5
97.06512	0.6
99.08082	2.0
105.07034	4.6
107.08607	3.9
109.06563	0.8
109.10145	2.3
116.56405	0.4
117.07004	1.3
119.08598	3.5
121.10114	3.2
122.42180	0.4
125.09628	0.6
129.06998	1.0
131.08568	2.0
133.10153	3.8
135.08054	0.7
135.11679	2.4
137.09541	0.6
143.08578	1.5
145.10156	2.1
147.11653	3.6
149.13222	1.8
150.13528	0.5
151.11166	0.9
157.10194	1.1
159.11684	1.8
161.13260	2.2
163.11189	0.7
171.11693	1.3
173.13188	1.1
175.14781	1.1
179.14355	0.7
182.29987	0.4
185.13289	0.5
187.14848	0.5
199.14828	0.5
213.16377	0.5
229.07518	0.5
241.19548	3.3
259.20551	6.1
277.21640	1.9
333.24103	1.2
351.21414	100.0
351.25125	6.2
352.21695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.14597	0.5
69.94564	2.2
81.15108	0.5
93.07037	0.7
98.20827	0.8
121.50473	0.5
179.10672	0.5
271.13904	0.8
333.19943	0.7
351.21420	100.0
352.21777	1.1
369.20828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77082	0.5
55.05504	1.5
56.96573	2.8
57.03411	0.6
57.84890	0.4
67.05505	2.5
69.07059	1.2
69.82993	0.4
70.13722	1.3
71.08639	1.2
77.00925	0.6
79.05522	2.7
81.07072	2.7
83.04976	0.9
83.08605	1.4
85.02927	0.5
87.44252	0.4
87.49614	0.4
91.05483	1.9
93.04505	0.5
93.07042	2.3
95.04957	0.8
95.08607	1.6
96.92342	0.5
97.02883	0.5
97.06546	1.5
97.10168	0.5
98.35889	0.5
98.97587	0.9
99.08085	1.0
105.07025	1.7
107.08589	1.3
109.10150	0.8
111.08070	0.5
119.08588	1.2
121.10129	0.9
121.58234	0.4
133.10144	1.1
134.10452	0.4
135.11685	1.0
145.10156	0.8
147.11716	0.9
149.13300	0.6
151.11232	0.6
159.11707	0.7
179.14299	0.5
199.06375	0.6
201.75874	0.4
223.10123	0.5
241.11256	1.2
253.11072	2.1
259.12167	0.9
267.09222	0.7
269.10739	0.6
271.12112	2.4
277.21588	1.2
285.09839	0.7
294.13669	0.5
333.17078	0.7
351.21436	100.0
352.21710	0.9
369.19495	1.8
370.19690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99846	0.8
68.57355	0.5
69.03416	0.8
71.46776	0.7
82.99836	1.1
83.04941	0.6
84.08151	0.8
85.01404	1.3
85.02888	1.6
87.20345	0.5
94.91290	0.5
97.01405	2.1
97.13371	0.6
98.97569	0.8
99.02987	0.7
101.00281	0.8
101.00892	10.2
103.00649	1.8
103.02435	1.5
109.01399	0.9
111.02979	1.5
112.99149	1.5
113.00860	0.6
115.00648	0.9
115.02434	31.9
115.33838	0.6
115.40261	0.6
117.03971	1.7
119.01929	7.1
121.01672	1.4
125.51431	0.6
127.02425	6.3
129.03990	6.1
129.71852	0.5
131.00168	0.7
133.03471	53.3
134.03470	0.6
135.03207	0.6
135.04939	0.7
138.04015	0.8
141.03961	9.0
143.01878	1.8
145.01727	0.9
145.03474	19.7
147.05013	4.9
151.04509	2.8
153.04088	0.6
155.01923	1.0
155.05530	1.2
156.05011	0.9
157.03448	1.1
159.05038	35.7
161.02901	1.5
163.04526	1.6
167.01869	0.7
169.02133	0.7
169.03476	9.6
169.07141	1.1
170.99620	1.2
171.01376	3.4
171.05064	3.3
173.06627	4.1
175.02861	0.7
175.04507	0.8
177.06093	14.2
179.05577	1.5
183.05020	3.2
185.02963	1.1
185.06631	1.1
187.04521	10.6
187.08163	1.3
189.00841	0.7
189.02463	1.5
189.06149	1.2
193.03795	0.7
195.01299	0.7
195.07132	6.1
197.03073	0.6
197.06586	13.6
201.00809	0.6
201.06187	3.2
213.02412	3.7
213.06120	1.1
215.07683	4.1
217.00148	1.6
217.09200	3.6
219.07143	8.6
223.04547	2.7
227.04066	1.6
227.07576	0.6
231.01596	0.9
231.03574	2.4
235.04813	0.9
235.10255	0.6
241.05542	2.5
243.07162	2.4
245.08725	100.0
246.08958	1.8
247.06668	11.3
249.02840	1.8
261.08203	0.7
271.06628	17.1
273.07990	0.7
279.09174	0.6
289.07690	15.2
291.09113	1.5
307.08270	1.0
307.11249	0.7
315.05600	16.7
315.09210	0.9
333.06699	24.1
333.10327	3.6
351.07516	16.7
351.11075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
67.05504	1.7
69.07072	0.9
70.58898	1.9
70.78319	0.6
72.04507	2.3
77.45350	0.6
79.05506	1.0
81.07049	1.5
83.04968	0.9
84.05308	0.7
90.05552	1.1
91.05469	0.6
93.07043	1.4
95.08598	1.3
105.07021	1.9
106.07326	0.8
107.08592	1.7
109.10140	1.0
111.04463	2.0
112.04811	0.6
119.08582	1.2
121.10175	0.7
123.08096	1.2
125.09656	0.6
131.08595	0.6
133.10164	1.1
134.10414	0.9
135.08096	0.7
143.08606	0.7
153.65475	0.7
170.15417	1.0
179.14336	1.1
180.14607	1.8
198.14932	4.5
206.06326	0.6
297.75378	0.8
314.95444	0.7
350.23837	100.0
350.27347	4.3
351.24283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2686
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
55.05519	8.3
56.05034	2.0
57.07072	3.5
58.06600	7.6
59.04986	1.8
60.04531	7.7
67.05504	13.1
67.75378	1.8
69.07063	6.2
70.06594	3.5
72.08151	2.2
73.06554	2.2
79.05500	17.0
81.07062	21.3
82.06586	1.8
83.05004	8.0
83.08622	1.7
84.05292	3.5
84.08120	2.6
89.06017	2.5
91.05470	7.4
93.07040	21.3
94.06580	3.7
95.08615	12.4
96.08132	2.7
98.09692	5.0
98.20770	7.1
100.07603	1.8
101.06030	1.9
105.07033	5.0
107.01991	1.6
107.08591	12.9
109.10143	4.1
110.09645	2.3
111.04456	7.1
112.04781	3.9
113.04851	2.7
117.06985	1.7
119.08591	5.8
121.10154	7.8
133.10130	4.3
135.11729	4.6
142.27441	1.7
145.10153	2.1
147.11694	2.2
149.13177	1.7
151.09644	4.7
163.14673	1.9
166.27704	1.6
171.11873	2.0
177.12729	5.0
179.14273	1.9
180.14594	1.7
185.13382	1.7
226.18033	4.2
230.13240	2.3
259.20532	3.2
291.23068	1.8
292.22662	9.0
308.25903	9.9
318.24420	2.7
320.59119	1.8
350.26929	100.0
351.27072	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18151	1.3
53.24413	1.3
55.05511	4.3
56.46371	1.4
56.96561	2.0
57.03443	1.4
57.07066	1.6
59.04991	2.4
60.04537	17.3
67.05501	5.2
69.03441	2.4
69.07063	4.0
70.06574	3.1
71.04997	14.2
71.54108	2.5
72.08157	1.4
73.06560	2.7
73.52036	1.1
75.25780	1.2
79.05501	6.0
81.03405	1.5
81.07058	21.1
83.04989	1.6
83.08620	2.3
84.04477	1.3
85.02924	3.7
86.09703	1.8
91.05487	3.9
93.07044	13.9
95.08633	5.3
97.02887	2.3
97.06512	1.8
98.97617	2.7
105.07056	2.7
107.08614	10.8
109.06556	1.4
109.10179	4.0
119.08605	2.7
120.08104	2.7
129.10252	1.7
132.14735	1.6
135.11696	17.1
145.10104	1.5
147.04372	3.7
153.12756	100.0
153.55040	1.1
165.09113	2.8
170.08159	6.2
183.55913	1.4
187.43544	1.6
192.10255	2.1
258.93109	1.3
259.13354	2.8
267.09274	1.6
277.87531	1.3
278.24777	2.5
283.15527	1.4
287.05515	1.7
296.25690	1.6
314.27231	1.3
332.27927	5.3
345.04800	1.7
350.15924	4.9
350.19827	2.1
350.23767	5.3
350.28973	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89479	3.2
55.05512	5.5
65.72171	2.9
67.05497	7.8
69.03418	5.3
69.07067	8.5
69.90960	13.5
70.06595	7.0
79.05473	10.8
81.03444	3.7
81.07053	8.3
83.04990	6.4
85.02904	17.2
86.09234	4.7
86.09714	70.4
91.05500	16.7
93.07047	71.6
95.04955	6.0
95.08621	20.7
97.02885	4.4
97.06554	6.3
105.07043	4.0
107.08604	95.1
109.10162	7.6
111.08109	3.3
120.08115	28.5
122.02634	4.8
127.03884	4.3
135.11707	100.0
141.06436	3.8
153.12746	21.3
157.13383	23.4
161.92589	3.5
166.08670	22.4
170.08110	22.6
185.12889	22.7
193.12230	5.8
199.31366	3.7
211.13306	21.3
224.07915	5.0
237.12335	10.2
305.10797	8.6
360.14853	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.45782	0.3
55.05521	2.4
57.07073	3.8
60.82363	0.5
67.05515	2.5
69.03442	0.4
69.07085	2.2
69.55730	2.4
71.08620	2.4
79.05474	1.6
81.07057	5.4
83.04965	0.7
83.08599	0.9
85.06550	2.0
91.05472	0.8
93.07062	2.3
95.04968	0.5
95.08606	4.4
97.06506	0.7
97.10163	0.5
98.21525	0.5
99.08075	1.4
105.07042	2.0
107.08582	2.3
109.06522	16.0
109.10168	1.5
111.04375	0.9
111.08079	0.6
119.08598	1.8
121.10150	1.4
122.07272	1.5
123.08070	21.2
123.11681	0.7
126.59636	0.3
133.10123	1.3
135.08046	2.9
135.11743	0.4
136.08778	0.5
145.10172	0.5
147.11667	1.0
159.11749	0.7
161.13249	0.5
165.12721	0.9
175.14775	0.4
179.14316	100.0
180.14624	1.0
193.15874	2.1
218.41148	0.4
223.02036	0.4
331.26266	2.1
349.27386	89.4
350.27734	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.94586	0.3
53.03944	0.5
54.35967	0.3
55.01880	0.5
55.05510	4.5
55.12215	0.3
57.07073	1.2
59.04987	0.5
67.05507	3.6
69.07072	7.4
69.15095	0.4
69.91710	0.8
69.92108	1.3
71.04991	1.0
71.08643	0.6
73.06557	0.6
79.05504	2.5
81.07059	6.1
83.04977	0.8
83.08627	3.1
85.06555	0.7
91.05471	1.4
93.07050	4.5
95.08614	6.0
95.44770	0.4
97.06530	1.1
97.10165	0.8
98.20744	0.4
99.08109	0.6
105.07005	2.1
107.08594	3.8
109.06523	8.5
109.10149	3.0
111.08099	1.7
115.31522	0.4
117.07036	0.5
119.08597	2.6
121.10151	3.5
122.07275	0.6
123.08073	51.0
123.11716	1.2
125.09667	0.7
128.11888	0.4
131.08543	0.9
133.10130	1.7
135.08047	3.4
135.11707	1.3
136.08803	0.5
137.09608	3.0
137.13211	0.4
145.10161	0.7
147.11716	1.4
149.09601	1.3
149.13289	1.3
151.11160	0.5
159.11728	1.2
161.13313	1.0
173.13313	0.4
175.14983	0.5
177.12746	0.6
179.14316	12.5
179.23605	0.4
187.14899	0.5
193.16034	0.5
198.15085	0.5
233.18985	0.8
254.19987	0.4
273.64752	0.3
275.20065	1.1
288.82401	0.4
289.25308	0.6
293.21133	12.8
307.22604	1.0
315.51715	0.4
331.26285	2.8
349.27386	100.0
350.27792	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03941	0.6
53.37596	0.4
55.01842	0.5
55.05518	4.4
57.07063	0.8
67.05513	3.6
69.06733	0.7
69.07075	9.4
69.47856	1.2
69.48277	2.3
71.04996	1.0
73.06551	0.6
79.05502	3.0
80.42399	0.4
81.07056	7.3
83.04978	0.7
83.08627	3.5
85.06533	0.8
87.75188	0.4
91.05490	0.9
93.07056	4.2
94.61786	0.4
95.04963	0.8
95.08615	6.6
96.37013	0.4
97.06525	2.0
97.10170	0.8
97.38842	0.4
98.21491	0.8
105.07072	2.6
107.08603	5.4
109.06525	8.5
109.10179	2.8
111.08059	1.5
119.08604	2.7
121.10140	3.1
123.00559	0.5
123.08078	58.0
123.11676	2.1
131.08551	1.2
133.10139	1.8
135.08083	3.9
135.11687	2.0
137.09628	3.3
137.13213	0.7
145.10159	0.8
147.11685	1.4
149.09651	1.1
149.13280	1.5
151.11220	0.5
159.11723	0.8
161.13300	1.3
163.11174	1.0
165.12733	0.7
167.91486	0.4
173.13208	0.5
179.14301	5.2
199.43925	0.5
201.91545	0.5
222.08809	0.6
231.16039	0.4
233.19087	0.8
262.26547	0.4
275.20062	2.0
289.25275	1.0
293.21121	16.7
307.22650	1.3
331.26440	2.8
349.27399	100.0
350.27673	1.6
359.53564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01878	2.1
55.05513	11.1
56.96572	3.8
57.03441	33.7
57.07077	1.1
59.05006	1.4
65.03922	1.7
67.05509	28.9
69.03453	1.4
69.07072	7.7
71.04994	1.6
71.54713	0.7
71.55052	0.8
79.05499	25.5
81.03456	1.9
81.07059	25.6
83.04963	3.1
83.08623	5.2
85.06554	10.5
91.05485	36.5
91.49511	0.8
93.07049	31.4
95.04951	4.1
95.08064	1.5
95.08620	19.1
95.44195	0.7
97.06550	2.8
97.10183	1.7
98.73214	0.8
99.04459	6.9
105.07037	24.2
107.04950	3.8
107.08588	15.8
109.06518	8.6
109.10171	6.3
111.08092	3.1
115.05495	1.1
117.07012	11.4
119.08590	22.2
121.06526	2.6
121.10137	10.4
123.08087	5.7
123.11730	1.7
125.09650	0.8
128.06184	1.0
128.98602	1.8
129.07004	3.2
131.08580	17.3
133.10139	13.5
135.08031	4.7
135.11684	6.6
137.09618	2.5
143.08574	3.2
145.10118	12.6
147.11707	6.2
149.09622	3.5
149.13255	1.6
153.12759	2.8
157.10129	2.4
159.11678	6.7
161.01237	0.9
161.09642	1.0
161.13307	2.7
163.11223	2.5
165.12817	0.9
169.10139	1.4
171.11743	1.8
173.13287	4.2
173.77115	0.8
175.14783	1.5
177.12758	0.8
179.14291	2.0
183.11682	2.2
185.13315	4.4
191.14325	1.1
193.12138	1.0
200.34644	0.9
201.16422	6.0
203.14322	3.2
209.15375	1.7
219.17455	100.0
220.17731	1.5
229.07417	1.0
239.18071	1.3
257.19037	3.6
267.09189	1.0
275.20062	14.3
293.21094	1.4
331.15637	1.6
349.17178	5.9
349.23822	25.4
349.27563	2.4
349.33875	2.0
363.46051	0.8
367.18002	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.01881	4.8
55.05517	10.8
56.96570	58.0
57.03445	8.3
57.07072	2.0
58.93774	0.8
64.77585	0.9
65.03941	1.6
67.05508	23.0
69.03431	2.2
69.07077	13.1
70.81717	0.8
71.05005	1.0
71.13859	2.0
71.95267	9.3
72.40044	0.9
72.96046	3.0
74.97617	1.0
79.05074	1.5
79.05501	21.5
81.03426	2.3
81.07064	26.3
83.04975	6.5
83.08636	4.8
84.96011	3.4
85.02888	1.9
85.06522	1.1
91.05488	17.9
93.07051	27.1
95.04980	6.7
95.08060	1.4
95.08616	16.0
97.02882	1.2
97.06525	5.6
97.10148	1.4
97.96816	2.1
98.97580	3.4
105.00170	1.8
105.07034	23.0
107.04951	7.2
107.08602	16.0
109.06519	8.3
109.10165	6.0
110.97570	4.8
111.08075	2.4
112.72031	0.8
115.00647	1.5
117.07030	7.9
119.01738	1.2
119.08587	13.2
121.06506	7.7
121.10153	6.4
123.01208	1.3
123.08082	4.6
123.11664	1.4
127.00672	1.5
128.98595	4.3
129.07007	2.2
131.08585	13.6
132.59155	0.9
133.06511	1.8
133.10133	11.5
135.08066	4.5
135.11674	5.5
137.02748	3.1
137.09633	1.7
141.02200	1.7
143.00169	1.1
143.08574	2.7
145.06493	2.2
145.10123	12.0
146.33455	0.9
146.99648	1.9
147.08057	2.1
147.11684	9.9
149.09656	4.9
149.13287	2.3
151.00648	0.9
151.11183	3.5
153.02229	2.3
155.03804	3.8
157.10196	2.7
159.08086	1.8
159.11708	6.4
161.09610	2.2
161.13239	3.0
163.11168	5.8
165.05884	1.2
165.12755	1.3
167.03813	2.2
169.01740	1.2
169.10187	1.6
171.03314	3.2
171.11739	2.9
173.04843	1.4
173.09666	2.8
173.13283	3.7
175.11237	1.6
177.12749	2.2
179.14333	2.9
181.05386	4.3
183.06938	3.3
183.11633	2.3
185.04865	3.7
185.08446	1.4
187.06346	1.1
187.11200	1.4
189.04405	1.2
191.05949	1.2
191.14333	2.2
193.05434	1.5
193.07358	1.0
195.07016	3.4
197.04918	1.8
199.06432	18.3
199.14832	1.2
201.04381	1.2
201.08023	5.0
201.12816	2.7
201.79276	1.1
203.05931	3.1
205.07549	1.7
207.13789	2.6
211.06418	12.0
213.07993	40.6
215.05875	1.1
215.09630	1.5
215.17981	1.4
217.07480	12.2
219.09099	2.6
219.13863	3.0
222.08080	1.4
225.07841	4.4
227.09628	2.3
229.07501	72.6
229.19557	2.5
231.06754	2.1
231.09055	36.1
236.09537	4.7
239.18074	2.0
241.07408	1.6
243.09079	23.1
245.10661	1.5
247.08559	36.3
247.20561	1.7
250.56512	1.0
252.09077	9.4
254.10666	2.5
255.09158	1.7
257.18982	11.8
261.10071	9.6
266.10724	2.9
267.08960	4.9
269.10626	3.6
270.10257	1.8
273.10510	1.2
275.20078	70.9
276.20404	1.4
281.10699	1.1
284.11951	1.0
285.10083	4.6
293.21146	6.2
297.52335	1.0
308.12079	2.6
313.14758	2.1
331.15765	13.7
331.22440	1.3
349.16925	100.0
349.23563	39.6
349.27170	2.7
350.17267	2.4
367.17947	24.0
372.18445	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	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03949	6.1
55.01878	13.6
55.05516	38.5
56.96560	2.1
57.03445	22.1
57.07067	1.8
61.02914	1.9
65.03934	4.0
66.88167	1.6
67.05508	56.2
69.03422	5.2
69.06726	3.2
69.07072	39.4
71.04991	4.8
71.54542	1.6
71.54980	2.6
76.22207	1.6
77.03912	1.8
79.05494	100.0
81.03410	7.0
81.06591	3.5
81.07062	53.1
83.04984	9.2
83.08624	15.9
85.02899	3.3
85.06545	2.9
91.04905	3.2
91.05483	61.3
93.07043	49.9
95.01370	1.7
95.04976	12.0
95.08617	32.2
97.06532	15.1
97.10162	14.5
99.08148	1.9
103.05491	2.3
105.07036	77.1
107.04955	25.2
107.08596	96.9
109.06528	5.8
109.10168	21.7
111.08092	5.4
111.63884	1.8
113.09606	2.0
115.05462	3.9
117.07020	19.7
119.06046	2.4
119.08590	39.4
121.06500	4.2
121.10146	15.4
123.08053	4.2
123.11697	2.9
125.09639	16.6
129.06998	9.1
130.07796	2.4
131.08562	33.6
133.06544	2.3
133.10133	38.0
135.08029	6.5
135.11690	10.5
137.09630	3.8
141.06993	3.8
143.08569	11.8
145.06493	2.6
145.10123	85.3
147.11691	36.9
149.09615	31.6
149.13313	4.0
151.11160	1.9
155.08583	3.4
157.10135	5.5
158.07341	2.0
159.11696	26.9
161.09663	2.2
161.13304	7.1
163.11160	10.4
169.10164	6.4
171.10265	4.1
171.11703	14.9
173.11867	2.9
173.13293	10.8
177.12788	4.0
179.14317	4.0
183.11673	8.6
185.13228	4.4
187.11182	2.8
189.11218	16.1
189.12755	3.2
193.12308	2.1
195.18918	1.7
197.13275	6.8
205.12242	2.6
215.14558	1.8
229.19542	4.4
239.17932	16.5
257.19012	63.9
267.09140	1.8
268.09229	1.9
275.20062	76.8
286.10306	2.5
331.22577	9.0
349.19922	13.7
349.23761	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.02373	1.5
53.03931	5.7
55.01869	14.7
55.05513	59.3
56.96556	3.1
57.03440	17.0
59.04986	2.5
64.79198	1.4
65.03918	2.5
67.05508	60.0
69.03410	5.3
69.07067	16.7
70.96637	1.4
71.04984	7.6
71.24805	1.5
77.03931	2.0
79.05496	100.0
81.03413	6.0
81.07056	47.7
83.04984	29.3
83.08627	13.2
85.06532	3.6
90.63454	1.5
91.05483	40.3
93.07048	68.5
93.07641	3.4
95.04980	10.3
95.08606	23.8
97.06522	6.0
97.10176	17.6
99.08076	1.8
103.05408	1.6
105.07034	37.9
107.04952	27.4
107.08596	68.7
108.96494	1.4
109.06493	6.7
109.10157	25.5
111.08056	5.9
115.05407	1.9
116.06248	1.6
117.07015	16.3
119.08578	27.5
121.06464	3.7
121.10152	25.1
123.08070	2.9
123.11668	6.0
125.09640	18.6
129.06967	2.6
131.08572	20.1
133.10133	24.2
135.08061	9.8
135.11696	9.3
137.09604	2.9
139.07550	2.0
141.07034	1.7
143.08533	3.5
145.10115	15.9
147.07990	2.3
147.11691	14.7
149.08414	2.9
149.09622	59.8
149.13237	5.0
153.09090	5.3
155.08455	1.6
155.10617	2.3
157.10150	2.8
159.11678	11.2
161.13278	6.3
163.11168	6.2
163.14809	5.1
169.10092	2.4
169.12202	4.4
170.66185	1.6
171.10207	2.6
171.11678	4.2
173.11740	6.3
173.13264	7.5
175.14857	1.8
179.14270	3.9
185.13269	2.2
187.14836	2.3
189.11237	10.6
191.14294	3.9
197.13214	4.6
209.15370	8.5
215.17921	2.3
229.19511	5.3
233.15445	1.8
239.17957	3.2
247.20535	4.5
257.19003	12.1
275.20081	47.9
291.19534	2.3
293.21094	1.6
331.16003	4.0
339.54404	1.4
349.12784	4.7
349.16595	3.5
349.19806	10.4
349.23685	70.7
349.27344	4.0
350.23224	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	19.9
54.55858	1.9
55.01878	20.5
55.05510	27.0
57.03439	19.2
65.03947	3.5
66.14555	2.2
67.05508	72.0
67.92602	1.9
69.03419	4.5
69.07069	68.6
71.04967	3.6
71.05810	4.3
77.03880	2.3
77.21113	2.0
79.05493	61.1
81.03420	32.8
81.07059	93.9
82.19579	2.2
83.04991	11.8
83.08601	12.0
85.06526	5.1
88.54786	2.1
90.65038	2.1
91.04905	4.1
91.05482	74.5
93.06497	3.8
93.07049	63.2
95.01333	27.5
95.04971	18.5
95.08607	63.6
96.40997	2.4
97.06013	2.8
97.06536	29.6
97.07138	3.3
97.10150	4.9
98.44306	2.3
99.68372	2.0
103.05424	3.7
105.04519	2.2
105.07036	100.0
107.04958	47.8
107.08598	30.2
109.06509	7.8
109.10146	14.3
111.08096	5.8
115.05416	2.4
117.07011	29.6
117.78231	1.9
119.07805	3.7
119.08588	49.6
121.06510	6.8
121.10136	12.1
123.04472	3.5
123.08068	10.3
123.11681	3.8
125.09574	3.3
129.06975	6.0
131.08569	38.4
133.06453	4.9
133.10136	68.1
135.08057	8.6
135.11676	16.1
137.09631	2.5
139.07516	2.9
141.06992	7.7
143.08556	5.4
145.06462	8.9
145.10126	31.0
147.08028	3.2
147.11690	24.4
149.09605	8.1
149.13240	12.8
151.11156	5.0
157.10138	5.5
159.11688	26.7
161.13254	8.8
163.11168	6.2
165.09106	3.8
169.07617	2.1
169.10101	6.5
171.11635	3.1
173.13310	5.8
175.11121	2.3
176.83066	2.2
177.12775	14.8
179.14302	32.6
187.11147	9.8
195.13840	4.2
197.13210	4.9
205.12234	5.8
219.13760	2.6
229.19528	3.5
239.17926	4.3
246.96739	2.1
247.20309	2.4
257.19147	10.5
275.20078	86.6
293.21173	3.4
296.23407	2.4
303.75327	2.4
331.15912	5.1
349.16879	5.7
349.20560	2.6
349.23688	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01878	2.1
55.05513	11.1
56.96572	3.8
57.03441	33.7
57.07077	1.1
59.05006	1.4
65.03922	1.7
67.05509	28.9
69.03453	1.4
69.07072	7.7
71.04994	1.6
71.54713	0.7
71.55052	0.8
79.05499	25.5
81.03456	1.9
81.07059	25.6
83.04963	3.1
83.08623	5.2
85.06554	10.5
91.05485	36.5
91.49511	0.8
93.07049	31.4
95.04951	4.1
95.08064	1.5
95.08620	19.1
95.44195	0.7
97.06550	2.8
97.10183	1.7
98.73214	0.8
99.04459	6.9
105.07037	24.2
107.04950	3.8
107.08588	15.8
109.06518	8.6
109.10171	6.3
111.08092	3.1
115.05495	1.1
117.07012	11.4
119.08590	22.2
121.06526	2.6
121.10137	10.4
123.08087	5.7
123.11730	1.7
125.09650	0.8
128.06184	1.0
128.98602	1.8
129.07004	3.2
131.08580	17.3
133.10139	13.5
135.08031	4.7
135.11684	6.6
137.09618	2.5
143.08574	3.2
145.10118	12.6
147.11707	6.2
149.09622	3.5
149.13255	1.6
153.12759	2.8
157.10129	2.4
159.11678	6.7
161.01237	0.9
161.09642	1.0
161.13307	2.7
163.11223	2.5
165.12817	0.9
169.10139	1.4
171.11743	1.8
173.13287	4.2
173.77115	0.8
175.14783	1.5
177.12758	0.8
179.14291	2.0
183.11682	2.2
185.13315	4.4
191.14325	1.1
193.12138	1.0
200.34644	0.9
201.16422	6.0
203.14322	3.2
209.15375	1.7
219.17455	100.0
220.17731	1.5
229.07417	1.0
239.18071	1.3
257.19037	3.6
267.09189	1.0
275.20062	14.3
293.21094	1.4
331.15637	1.6
349.17178	5.9
349.23822	25.4
349.27563	2.4
349.33875	2.0
363.46051	0.8
367.18002	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	17.1
53.48877	1.7
55.01869	20.6
55.05514	25.8
56.96558	6.2
57.03197	1.7
57.03439	22.2
65.03946	4.1
67.05505	74.4
68.32872	1.9
69.03419	3.4
69.07069	72.0
69.39622	14.1
71.04974	5.6
79.05492	65.5
81.03415	30.2
81.07057	89.4
83.04984	13.3
83.08617	12.0
85.06531	4.4
91.05480	71.8
93.07040	63.7
95.01331	27.0
95.04973	23.2
95.08609	54.7
97.02848	2.7
97.06537	28.4
97.10184	3.7
98.21503	2.3
99.08067	2.1
103.05441	4.8
105.07034	100.0
107.04961	45.7
107.05711	2.2
107.08593	30.1
109.06551	9.9
109.10158	13.2
111.04449	2.2
111.08047	5.2
113.09675	1.8
115.05472	1.8
117.07013	23.3
119.08584	58.3
121.06499	5.7
121.10156	12.8
123.04437	5.8
123.08067	11.1
123.11677	2.6
125.09618	4.0
128.06209	2.5
129.06990	5.1
131.08566	32.5
133.06491	3.9
133.09123	3.3
133.10132	61.9
135.08067	6.2
135.11707	14.6
137.09616	3.2
141.06964	3.7
143.08517	6.4
145.06496	7.0
145.10127	29.0
145.11177	3.8
147.08032	2.6
147.11681	27.5
149.09642	8.3
149.13252	12.0
151.11198	3.8
154.07750	2.5
155.08559	2.8
157.10074	4.2
159.08012	2.6
159.11694	24.8
161.09575	2.6
161.13252	7.8
163.11157	7.4
163.14784	2.4
165.09091	2.7
165.12860	2.0
169.10098	7.3
171.11681	5.5
173.13264	6.2
177.12779	11.1
179.14310	29.2
183.11676	4.7
185.13286	2.6
187.11169	7.3
195.13783	4.0
197.13274	3.7
205.12288	4.0
211.14734	1.9
223.13237	2.9
239.17909	4.8
241.14354	3.1
247.20575	4.1
257.19052	14.1
267.09024	5.1
268.09244	1.9
275.20056	83.9
285.10123	7.1
286.10403	3.9
286.50568	1.9
331.15741	4.8
349.16583	4.0
349.19778	32.1
349.23718	67.6
350.24060	1.9
367.17706	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	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.6
53.04162	2.2
55.01878	11.5
55.05516	51.7
56.96569	20.7
57.03439	19.8
57.07072	1.8
59.04990	2.5
65.03925	2.8
67.05508	57.1
69.03406	5.0
69.07073	22.0
70.82867	2.3
70.83199	3.0
71.04971	5.8
71.95257	3.8
77.03925	2.3
79.05500	100.0
81.03409	6.4
81.06602	3.1
81.07063	50.3
83.04991	27.8
83.08633	9.1
85.02925	1.7
85.06512	2.6
90.85648	1.5
91.05485	49.9
93.07052	67.3
95.04973	12.1
95.08073	2.1
95.08617	28.2
97.06517	5.9
97.10178	12.3
105.07036	42.7
107.04305	2.2
107.04962	29.0
107.08604	70.2
109.06504	5.6
109.10169	26.6
110.97572	2.6
111.08076	5.8
115.05471	1.8
117.07014	17.3
119.08588	32.4
121.06468	6.6
121.10155	27.2
123.08046	5.1
123.11687	5.9
124.34904	1.5
125.09644	16.3
128.98602	3.2
129.07021	5.0
130.07799	2.0
131.08578	19.0
133.06493	2.0
133.10143	30.7
135.08052	9.9
135.11719	8.8
137.09615	3.5
141.06982	2.7
143.08577	4.2
145.10136	16.8
147.11693	19.1
149.09630	52.6
149.13232	3.2
151.11176	2.2
153.09109	2.3
153.12691	1.9
157.10133	3.0
159.11696	10.8
161.09595	2.1
161.13248	9.7
163.11168	4.4
163.14804	5.5
165.12808	1.5
169.10141	2.2
169.12216	6.3
171.10202	2.3
171.11714	3.4
173.11700	7.0
173.13257	7.0
177.12686	3.0
179.14304	5.3
181.12114	3.3
183.11661	2.8
185.04825	3.6
187.11220	1.7
187.13258	2.4
187.14792	2.5
189.11263	8.2
191.14320	4.0
193.12288	2.2
197.13158	2.0
199.06396	5.4
201.07855	2.0
209.15469	7.9
213.08023	10.9
217.07408	3.5
229.07437	13.5
229.19475	8.2
231.09238	7.7
233.15314	1.6
243.09007	10.9
247.08534	7.2
247.20618	4.2
257.19003	14.2
261.10138	4.8
270.10175	1.7
275.20090	59.3
285.09973	1.7
297.13458	1.8
331.15775	17.1
349.17001	34.9
349.23703	70.7
349.27234	4.1
367.17822	8.5
372.18390	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
67.05501	0.6
69.07061	0.7
69.33915	0.9
69.34317	3.1
76.64493	0.4
79.05500	0.5
81.07046	1.0
83.04991	0.6
87.09158	0.4
91.05489	1.1
93.07027	0.9
95.08604	0.9
100.37889	0.4
105.07030	0.5
107.08572	0.7
109.06496	0.5
109.10231	0.4
111.04470	1.2
112.04755	0.6
119.08585	0.7
123.08054	1.0
130.02065	0.4
131.08530	0.5
133.10144	0.8
145.10121	0.5
179.14320	1.3
264.59283	0.3
264.69458	0.4
266.78574	0.4
277.13870	0.6
289.21759	0.6
317.24728	0.5
349.23511	100.0
350.23843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01876	15.6
55.05273	2.9
55.05513	46.2
56.96559	8.2
57.03446	18.1
59.05001	2.1
60.15527	1.9
61.02922	2.1
64.22963	2.0
65.03955	5.1
65.27705	1.9
67.05509	64.4
69.03426	4.1
69.07076	25.9
70.58804	4.3
71.04974	8.7
79.05496	100.0
81.03403	7.3
81.06600	3.1
81.07060	55.4
83.04983	26.1
83.08627	14.5
85.06544	2.7
91.05491	48.5
93.06487	3.9
93.07047	65.8
95.04959	11.8
95.08617	28.2
97.02892	2.3
97.06523	8.3
97.10165	16.7
98.97610	2.4
103.05434	2.4
105.07030	51.9
107.04337	1.8
107.04962	27.2
107.07883	4.0
107.08600	72.6
109.06493	7.3
109.09463	2.6
109.10161	24.4
111.08063	5.7
115.05521	2.2
117.07017	16.0
119.08588	39.0
121.06493	5.4
121.10152	24.9
123.08054	5.0
123.11705	3.6
125.09624	14.7
129.07036	3.7
131.08580	26.3
133.10146	33.2
135.08029	10.9
135.11731	11.4
137.09570	3.3
143.08582	2.5
145.09088	2.0
145.10144	27.2
147.08083	2.3
147.11693	23.5
149.09633	50.1
149.13237	5.5
151.11209	2.6
153.09094	4.3
155.08519	2.7
157.10110	5.9
159.11732	18.2
161.13263	8.2
163.11203	8.4
163.14832	3.4
165.12834	2.5
169.10088	2.5
169.12204	4.4
171.10197	2.4
171.11642	5.8
173.11774	4.8
173.13240	8.3
175.11220	2.9
177.12784	4.9
179.14310	5.0
180.51474	2.1
183.11690	3.4
185.13297	3.7
187.11131	3.3
187.14780	2.7
189.11166	7.0
191.14435	3.0
197.13277	3.8
209.15327	5.8
219.17427	3.2
229.19543	6.0
234.17773	2.3
239.18013	8.1
247.20551	3.1
251.12733	2.4
257.19037	24.5
269.10693	3.4
275.20071	63.9
285.10059	4.0
293.21069	2.3
331.15985	3.7
337.66864	2.3
340.15491	2.2
349.16327	9.6
349.19952	8.7
349.23721	85.2
350.24298	2.2
367.18179	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	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57856	0.4
55.05516	0.9
65.19059	0.4
69.33111	3.6
69.44166	0.4
81.07077	0.6
83.04977	0.9
84.20649	0.4
87.58541	0.4
88.10686	0.4
95.08618	0.5
109.06504	0.5
111.01545	0.5
111.04426	0.8
112.04762	0.6
123.08079	1.3
179.14323	1.2
248.67171	0.5
302.55896	0.5
314.28497	0.5
349.23526	100.0
350.23813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88372	0.5
70.70511	1.0
70.70823	0.6
105.14478	0.6
179.14296	0.8
215.82800	0.6
333.00656	0.6
349.23505	100.0
350.23798	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05544	0.6
56.73782	0.5
69.33363	5.1
76.35880	0.5
78.86955	0.6
87.19555	0.5
93.07048	0.6
95.08622	0.9
123.08098	0.9
129.05809	0.7
160.94460	0.6
179.14352	1.7
209.04646	0.6
209.11502	1.0
216.07100	0.5
349.23511	100.0
349.27048	3.9
350.23868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95726	3.2
51.14018	3.3
53.99857	2.9
54.07640	3.5
55.01878	6.3
55.05499	11.3
56.96310	4.5
56.96569	83.6
57.03426	8.8
57.07061	3.4
59.40796	3.6
63.78794	3.2
67.05515	25.7
69.07066	15.3
69.27296	10.5
69.27712	20.1
71.95260	9.2
79.05500	23.9
81.07059	25.3
83.04964	6.2
83.08642	6.3
91.05473	15.3
93.07053	22.3
95.04953	8.3
95.08603	16.7
97.96786	3.7
98.21582	7.2
105.07017	21.3
107.04944	7.1
107.08601	20.6
108.01851	7.2
109.06518	6.9
109.10160	7.1
110.97562	5.4
111.04225	15.7
117.06987	6.6
118.81800	3.4
119.08557	13.7
121.06481	4.1
121.10136	11.6
123.08060	13.0
123.11713	3.7
128.98621	8.0
129.02193	3.9
131.08545	10.5
133.10120	14.7
135.11697	6.5
137.09598	3.9
145.10117	13.3
147.11696	9.3
149.09622	6.8
155.03773	4.2
157.01709	4.4
157.10129	5.6
159.11699	7.3
161.13171	4.0
171.03241	6.4
173.13281	5.4
177.12788	4.9
179.14319	14.9
182.34766	3.7
183.03250	4.4
183.06767	3.9
185.04849	6.0
189.04411	6.3
195.07112	5.3
199.06445	20.7
201.07999	6.3
201.12837	4.0
205.12093	4.1
211.06444	15.8
213.08008	49.9
217.07475	15.7
219.09171	4.8
219.13754	4.6
220.14307	8.3
225.08034	3.5
229.07497	100.0
231.09064	54.1
236.09535	10.3
236.60594	3.6
243.09062	25.7
247.08586	45.2
247.13026	43.0
252.09061	12.7
255.09235	4.6
257.19019	9.5
261.10248	16.3
261.14554	19.2
267.09082	10.1
269.10733	9.6
275.20145	39.0
285.10025	7.7
293.21140	7.0
331.15582	16.4
349.16528	77.1
349.20050	12.7
349.23727	27.8
349.27469	17.9
349.30875	3.6
365.72675	3.9
367.17899	29.9
372.18414	7.9
374.79196	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
54.18109	0.3
55.01868	0.6
55.05513	0.6
57.03427	0.4
61.87985	0.3
67.05516	1.9
69.07067	1.0
71.12177	0.8
79.05505	2.4
81.07063	1.8
84.34651	0.3
91.05475	1.3
93.07048	1.4
95.08607	1.0
96.08187	0.3
97.06535	0.5
105.07058	2.0
107.08591	1.7
109.06512	0.4
109.10133	0.5
115.00586	0.3
117.06998	0.5
119.08578	1.3
121.10164	0.5
131.08591	0.8
133.10132	1.3
145.10097	1.7
147.11697	0.8
149.09644	0.4
159.11700	1.1
173.13367	0.4
221.11252	0.4
239.17744	0.5
257.19000	0.9
261.14642	1.2
275.20102	1.9
280.12820	2.4
349.19876	100.0
349.23337	4.2
350.20084	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	17.0
55.05505	17.4
56.96570	100.0
57.03431	15.7
67.05512	38.6
69.07062	20.6
70.48663	20.3
71.95265	9.9
72.96053	9.4
78.55130	6.6
79.05492	41.9
80.70911	6.2
80.74825	6.8
81.03421	10.7
81.07052	38.6
83.04983	12.6
83.08628	11.6
84.05333	7.5
84.62138	7.2
85.02882	8.8
91.05468	40.2
93.07030	25.9
93.07590	6.1
95.04950	12.4
95.08602	33.3
97.06477	9.7
97.10103	6.6
98.20761	8.0
105.07028	33.1
107.08587	27.6
109.06536	16.4
109.10189	16.7
110.97556	17.6
111.04427	18.6
117.07073	10.5
119.08565	28.1
121.10124	14.7
123.08045	11.3
128.98586	19.9
129.05493	14.5
131.08574	17.7
133.10124	16.2
135.08081	11.6
135.11690	9.8
137.05957	16.9
141.02173	6.9
145.10124	14.4
147.11667	21.8
149.09615	9.4
157.10181	7.2
167.03809	7.5
171.03336	19.2
173.13278	12.9
179.14305	15.5
183.03220	6.9
185.04839	11.9
199.06488	25.5
200.24509	7.0
203.05850	15.7
211.06476	13.9
212.03780	6.6
213.07996	20.7
217.07472	19.0
229.07509	14.0
231.09113	13.7
237.08028	7.7
243.09030	8.2
247.08751	8.5
247.12938	7.3
249.08105	10.5
251.09689	16.1
255.09126	36.5
257.19092	14.5
267.09030	46.4
269.10681	68.2
273.10162	20.1
275.20114	54.9
285.10034	68.8
287.11612	16.0
291.12634	10.1
295.11890	8.1
308.12015	7.2
309.13824	14.4
331.15738	38.3
349.16702	93.3
349.23801	42.1
349.27527	22.0
367.17896	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01864	3.4
55.05506	9.2
56.96567	58.9
57.03438	7.5
57.07065	2.0
64.76921	0.8
65.03909	1.2
67.05182	1.4
67.05507	18.4
69.03453	1.1
69.07072	13.5
69.79356	0.8
70.51190	1.0
70.98132	1.2
71.04990	2.2
71.36303	1.1
71.36628	1.4
71.95266	9.9
72.96042	3.2
74.97608	1.4
79.05499	18.6
81.03427	1.9
81.07056	20.5
83.04974	6.0
83.08610	4.0
84.96014	2.7
91.05488	14.4
93.07047	20.2
95.04969	4.9
95.08608	15.2
97.06537	3.9
97.10184	1.8
97.96830	2.5
97.99203	1.3
98.97585	3.1
105.00157	2.0
105.07028	19.9
105.07698	1.8
107.04979	7.0
107.08584	12.3
109.06540	7.4
109.10150	6.9
110.97570	7.4
111.08038	1.8
113.03997	1.1
115.00681	2.7
117.07014	3.0
119.08585	9.3
121.06551	5.9
121.10138	7.0
123.01179	1.8
123.08041	3.8
123.11711	2.0
127.00622	1.2
128.98590	6.0
129.06990	2.5
131.08577	12.3
133.06509	2.0
133.10132	10.3
135.08075	3.1
135.11681	4.0
137.02721	3.3
137.09586	1.6
139.00668	1.5
141.02319	1.2
143.08560	1.9
145.10095	8.5
146.99606	2.0
147.08041	1.7
147.11678	7.2
149.09631	4.6
149.13228	2.3
151.00644	1.3
151.04315	1.7
151.11220	3.6
153.02226	2.1
155.03798	3.0
155.08545	1.5
157.10153	1.5
159.08084	1.5
159.11717	4.5
161.09648	3.3
161.13213	1.4
163.11230	3.9
165.05914	1.4
167.03842	2.1
169.01772	1.7
169.05365	2.1
171.03308	3.0
171.11774	2.0
173.04865	2.6
173.09576	1.1
173.13268	2.1
175.11263	1.5
179.03596	1.0
179.14290	1.9
181.05330	5.7
183.03468	1.2
183.06982	4.0
183.11684	1.4
185.04823	4.1
185.08435	1.8
187.11252	1.4
189.04303	2.4
189.12746	1.1
191.14268	1.8
193.05370	1.9
195.06825	5.1
197.05013	2.5
199.06445	20.2
201.07973	6.9
201.12679	1.5
203.05916	4.0
203.09607	1.4
207.07051	1.2
207.13788	3.2
209.05058	1.0
211.06409	14.0
213.07986	47.4
215.05891	1.4
215.09467	1.2
217.07475	14.9
219.08986	1.8
219.13898	2.7
222.08035	1.2
223.02693	1.3
225.07990	4.1
227.05951	1.6
227.09537	2.9
229.07487	86.9
229.19540	2.0
231.09050	38.7
236.09625	4.1
237.04263	1.3
239.09756	1.3
239.17944	3.3
243.09056	25.1
245.10716	2.0
247.08543	43.4
247.11049	2.1
247.20595	1.8
252.09047	11.8
254.10707	3.6
255.09068	1.2
257.19046	9.0
261.10028	9.8
266.10541	2.2
267.09103	3.1
269.10730	2.9
270.10147	2.3
275.20078	53.8
285.10129	3.2
286.10556	1.7
293.21088	7.0
308.12250	1.6
313.14615	3.1
331.15750	15.3
339.89151	1.1
349.16910	100.0
349.23499	30.8
349.26999	1.8
350.17294	2.6
367.17908	20.0
372.18549	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	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
53.03951	0.7
54.12874	0.6
55.01864	0.6
55.05505	2.3
56.96565	1.2
61.49554	0.6
67.05518	1.1
69.03441	3.2
69.07066	1.1
69.85484	2.9
70.06586	1.9
71.04987	1.7
72.08150	1.5
73.68467	0.5
81.03415	2.3
81.07069	2.7
83.04988	1.5
83.08625	2.9
84.04505	0.9
84.08140	0.7
84.94248	0.5
85.02901	4.4
86.09692	2.3
87.00813	1.0
90.03886	0.6
94.64942	0.7
96.53251	0.6
97.02889	2.6
97.06484	0.8
98.97585	1.6
99.04478	1.3
99.08092	2.4
101.09647	0.7
104.20708	0.5
105.07014	0.7
107.08605	1.3
109.02876	2.1
109.10159	1.4
110.07097	0.7
111.04467	1.0
111.08104	0.7
116.98563	0.7
119.04926	1.2
120.08126	1.1
127.03915	3.7
127.11228	0.9
131.00191	0.7
131.01910	0.6
131.04930	0.8
147.04419	2.3
151.11136	0.8
153.12778	1.7
169.12216	1.5
171.13818	1.1
173.02988	0.7
177.00830	0.7
179.16113	0.5
185.04379	1.2
187.03693	1.3
189.05576	1.2
193.04944	0.8
231.05057	1.9
247.04651	2.7
259.04556	1.2
265.05591	2.1
267.11264	0.6
268.07602	0.8
287.05588	0.7
289.05438	0.8
293.52411	0.7
307.06650	1.7
313.11856	0.8
331.13000	1.2
349.08951	100.0
349.12955	5.1
350.09024	0.6
367.08740	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	18.3
57.03444	8.2
60.23369	4.1
69.03432	10.8
73.02917	6.3
82.99832	4.2
84.08158	6.4
85.02908	22.7
86.09671	4.5
97.02309	4.4
97.02895	11.0
98.97597	9.1
101.00878	34.9
112.99128	86.0
113.00877	8.7
115.02454	5.4
119.01935	30.4
127.03896	7.5
131.00183	62.8
131.01859	24.3
133.03423	14.4
143.01900	10.2
145.03445	8.6
149.01245	12.2
155.01897	5.8
157.03520	7.5
158.99707	6.4
168.99858	13.4
169.04501	5.4
169.57848	4.4
173.02948	7.6
175.02864	7.4
178.04968	17.2
186.99327	5.2
187.00920	12.2
187.02724	4.3
187.07977	6.0
191.03986	6.3
193.03795	22.4
196.99379	6.2
199.00903	8.4
200.04402	14.6
211.04938	12.7
213.02469	4.7
215.00363	37.4
220.07283	8.1
229.01964	16.7
231.03450	5.8
235.04944	7.5
247.02968	36.9
255.65099	4.8
259.03101	11.0
259.07693	8.3
263.33322	5.0
289.04001	6.7
305.05545	14.4
349.04968	30.0
349.08975	100.0
349.12936	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	349.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.2
59.04998	1.0
69.03440	0.8
70.06577	0.9
70.08145	1.9
73.51134	0.7
74.06088	1.0
79.05508	0.8
81.07055	1.0
81.13629	0.7
84.08150	1.0
84.83578	0.7
85.02905	4.1
85.06542	0.8
91.05455	0.8
93.07025	1.5
97.02919	0.9
97.06539	0.7
98.97593	2.0
100.09332	0.7
101.00864	1.0
112.42043	0.8
112.99152	2.4
119.01926	1.7
127.03954	1.2
131.00197	3.1
131.01857	0.8
134.04933	0.9
143.01923	2.0
149.01181	2.0
151.07573	1.2
152.07915	1.2
155.01920	2.3
157.12276	1.4
161.02966	3.1
164.04259	0.7
169.12296	1.3
173.02924	0.9
187.08037	1.8
187.09459	6.6
192.03403	0.8
193.03902	1.7
199.08214	1.8
203.04102	0.9
203.21992	0.7
205.09207	1.0
217.09259	0.8
221.05157	1.4
289.11420	3.0
307.12411	3.7
323.10553	1.0
349.08972	16.5
349.14661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	15.2
57.03429	6.4
61.02930	3.6
69.03430	7.5
70.06587	3.3
71.52044	5.3
72.41463	2.9
73.02894	6.2
82.99865	3.9
84.08138	5.9
85.02905	22.9
94.46276	3.4
97.02858	7.2
98.97604	4.9
101.00890	34.7
112.99141	100.0
113.00850	10.3
115.02467	3.5
118.08661	7.1
119.01916	34.6
127.03960	4.8
129.93167	3.3
131.00188	72.4
131.01872	22.0
132.01793	3.8
133.03464	6.7
140.98495	3.5
143.01884	10.8
145.03444	10.3
145.04887	2.9
149.01237	21.7
155.01871	5.1
157.01610	4.3
157.03552	7.8
158.99622	5.1
161.02972	12.7
168.99837	10.2
169.04388	3.7
169.06836	4.2
170.03462	4.2
173.02971	9.4
173.66492	3.1
175.02771	14.6
178.04871	15.4
180.99722	4.1
185.03082	4.1
186.99237	7.6
187.00877	10.7
187.02599	3.7
187.07875	4.7
191.03877	4.6
193.03828	28.8
193.05537	8.3
196.99304	6.5
199.00900	6.7
200.04414	15.3
205.00232	4.7
208.03105	4.4
211.04852	17.5
211.06500	5.6
215.00395	31.9
219.07101	7.9
220.07323	4.7
227.00220	4.5
229.01947	13.8
235.04721	5.9
247.03018	36.9
259.03015	8.6
259.07718	8.6
281.06967	7.1
287.06342	3.8
289.04050	4.7
305.05502	14.3
311.09964	7.4
317.03549	5.6
331.04245	5.5
349.04968	36.0
349.08957	81.3
349.12613	5.1
349.17078	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	348.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15742	1.5
53.03962	1.6
55.01880	5.2
55.05508	24.0
56.96571	3.2
57.03439	9.7
57.07087	2.3
58.06596	2.0
59.05008	3.6
62.07588	1.4
62.84060	1.6
65.03960	2.6
67.05507	75.6
69.03439	2.3
69.07072	18.3
70.59090	4.7
71.04995	4.8
71.08634	12.0
79.05497	22.7
81.03435	4.7
81.07064	47.2
81.07533	3.0
83.04991	5.2
83.08620	20.1
84.08155	5.6
85.02913	2.2
85.06560	4.0
91.05493	15.7
93.07050	26.6
95.04977	4.0
95.08604	22.5
95.09062	1.7
97.06559	7.1
97.10169	17.9
98.97637	2.7
99.08070	8.0
105.07029	11.8
107.04978	2.0
107.08611	17.5
109.06528	3.9
109.10160	57.9
111.04440	2.0
111.08119	6.2
113.09760	1.6
117.07045	7.3
119.08611	11.7
121.10162	10.2
123.08099	2.6
123.11732	3.8
125.09646	12.7
131.08574	4.4
133.02855	2.1
133.10143	10.3
135.08020	1.9
135.11671	10.9
137.09647	8.2
145.10147	6.0
147.11745	4.9
147.80917	1.6
149.13242	14.2
151.11139	8.1
155.10678	25.5
155.11752	2.4
159.11732	6.0
161.13271	5.5
163.11165	4.6
167.14310	1.7
171.10284	2.0
173.11751	100.0
177.12773	4.8
179.14366	4.6
185.13245	2.2
189.11206	16.2
189.12479	1.7
190.14435	2.6
195.13812	35.6
195.15486	2.3
213.14833	19.4
221.04497	3.7
241.19543	3.1
249.22440	2.0
257.18982	2.0
258.20575	1.6
259.20743	2.6
269.12228	2.3
275.20096	3.8
277.21649	37.5
287.05527	2.0
289.10757	5.7
295.22687	21.9
348.14514	8.3
348.18686	7.3
349.19867	4.0
349.23737	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	348.2746
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.00475	0.6
53.03959	1.2
55.01856	0.7
55.05514	3.6
56.05035	3.2
57.03437	1.4
60.04531	100.0
67.05507	11.1
68.05035	1.0
69.07072	3.5
70.06587	1.1
70.62881	1.6
70.63210	0.6
72.04533	2.3
73.87687	0.6
74.06085	2.0
79.05504	7.8
80.05028	1.9
81.03436	1.2
81.07066	11.7
82.06605	1.8
83.05007	1.5
83.08631	1.7
84.04520	0.9
84.08188	1.0
91.05487	7.2
93.07059	10.3
94.06580	1.8
95.04987	1.5
95.08615	10.1
95.31477	0.6
96.08154	1.8
97.06561	1.3
103.05500	1.0
103.36237	0.8
105.07024	3.8
107.08609	4.5
109.10185	4.1
112.07644	1.3
116.07111	1.0
117.07023	1.4
119.08597	2.6
120.08115	0.7
121.06509	4.8
121.10162	4.2
123.11752	1.6
129.07014	0.9
131.08586	2.6
133.10172	3.6
134.09691	0.9
135.11688	3.4
145.10146	1.9
147.11731	2.5
149.13301	0.9
161.13277	1.2
171.11688	1.2
175.14856	0.8
175.58919	0.8
185.13234	0.7
203.18021	0.9
258.22131	0.8
276.23349	3.5
294.24277	6.1
312.25381	8.2
324.11777	0.8
330.26407	31.2
330.30310	1.6
331.26718	0.8
348.27460	82.9
349.27896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89269	0.4
52.59769	0.5
53.03964	0.9
55.01867	1.0
55.05511	3.5
56.05043	3.9
56.96568	1.2
57.03440	1.4
57.07094	0.7
58.06590	0.5
59.04993	0.5
60.04530	100.0
61.02941	1.0
65.03934	1.1
67.05511	12.4
69.03427	1.3
69.07075	3.0
69.98235	2.4
70.06598	1.6
71.04992	1.2
72.03574	0.5
72.04527	2.6
73.02934	0.7
74.06088	2.1
79.05499	9.3
80.05013	1.2
81.03424	2.4
81.07062	13.1
82.06586	2.1
83.04995	1.1
83.08629	1.9
84.04517	1.0
84.08170	0.8
85.02918	1.1
85.06561	2.1
86.06094	1.2
86.09722	0.8
86.59679	0.5
90.05571	1.5
91.03920	0.7
91.05490	7.7
93.07055	10.5
94.06589	2.7
95.04983	2.2
95.08617	9.3
95.09191	0.9
96.08164	1.7
97.06554	0.6
98.06100	0.6
98.97598	2.1
98.98473	0.9
99.04481	0.9
100.11277	1.2
105.07059	5.0
107.08606	5.3
108.08134	0.8
109.06523	1.0
109.10161	4.0
110.06094	0.6
111.08077	1.1
112.07645	0.7
112.99151	0.9
113.09676	0.5
116.07082	0.6
117.07042	1.7
119.08570	4.1
120.08103	1.5
121.06507	2.3
121.10151	4.7
123.08100	0.6
123.11746	0.9
129.07024	1.6
130.06593	0.8
130.08627	0.7
131.00189	1.4
131.08568	2.3
132.08066	0.5
133.10146	3.8
134.09665	0.7
135.11693	2.5
136.06229	0.9
136.07556	1.5
142.08696	0.5
143.08548	1.0
145.10149	1.5
147.11685	2.8
149.01245	0.6
149.13283	1.4
155.01028	0.5
157.10172	0.7
158.05992	0.6
158.99657	1.4
159.11702	1.4
160.07620	1.9
161.13255	1.1
163.14847	0.6
171.11644	0.6
173.13283	1.2
175.03134	0.6
175.14853	0.9
185.13281	0.7
193.12291	0.9
194.12631	1.5
202.08704	1.9
203.17953	0.7
217.19475	0.8
219.05078	0.7
219.11302	0.7
237.02702	0.6
243.08875	1.3
258.22183	1.0
276.23169	2.5
294.24258	4.7
312.25320	8.4
313.11487	0.5
324.11499	7.0
330.26416	29.0
348.27457	86.5
349.27789	1.5
373.13928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03389	0.4
52.84405	0.4
53.03942	0.5
55.01878	0.8
57.03430	1.5
60.04527	0.4
61.02931	2.7
69.03428	4.8
71.05003	0.7
71.32506	0.8
73.02898	0.8
81.03420	2.3
83.01346	0.6
85.02911	19.2
86.09708	0.6
87.04449	0.8
91.03963	1.3
91.05487	11.4
95.04987	2.1
97.02895	5.4
98.97597	1.0
99.04457	1.1
109.02904	1.2
110.97614	0.5
119.04948	11.7
123.08097	0.5
127.03914	3.3
135.04337	0.4
136.05199	1.1
136.06165	0.6
137.06015	0.9
145.04971	4.2
147.04398	0.5
151.07550	100.0
152.07880	0.8
163.06010	0.6
166.54312	0.4
169.08609	10.7
173.12952	0.6
180.08623	1.9
193.08647	0.9
194.11771	0.7
217.08621	0.4
219.01747	0.8
263.18661	0.4
266.56845	0.5
277.10715	0.8
295.11725	0.9
348.13522	0.5
348.17380	0.7
349.08862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2228
Annotation	(-)-11-nor-9-carboxy-Delta9-THC-d3
Peak:m/z	Relative Intensity
55.05509	1.3
56.96558	0.5
58.17536	0.5
67.05501	0.6
68.25686	0.4
69.73095	2.7
69.87606	0.5
70.06593	0.6
71.08680	0.4
78.42004	0.4
81.07054	0.6
83.04972	1.9
84.05303	0.8
85.02891	0.5
95.08589	0.5
101.06065	0.5
102.32381	0.4
111.04468	2.1
112.04803	1.8
119.08611	0.6
123.08099	0.4
130.05905	0.5
130.14172	0.4
136.06255	0.6
347.77972	0.5
348.22296	100.0
348.33646	4.2
349.19839	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01870	0.3
55.05504	0.2
56.05034	0.4
56.96563	0.5
57.03445	0.7
60.04525	1.1
61.02925	0.4
67.05500	0.2
69.03442	2.0
69.07066	0.4
69.23358	1.2
70.06593	0.3
71.04987	0.3
72.08144	0.6
73.02922	0.4
74.06085	0.7
81.03410	0.4
83.06055	0.2
84.04513	2.0
84.08138	0.9
85.02909	7.0
85.04855	0.2
85.08481	0.2
86.09711	6.9
87.04462	0.2
87.10076	0.3
88.03999	0.4
94.04031	0.3
94.06553	0.2
97.02898	3.7
98.97568	1.2
98.98469	1.7
99.04466	0.3
101.00880	0.4
101.07146	0.2
102.00941	0.1
102.05532	0.9
105.03388	0.5
106.05036	2.3
109.02891	0.4
110.09747	0.1
112.99146	1.3
115.03936	0.3
115.05799	0.1
116.98595	0.3
119.01903	0.5
119.03564	0.9
121.02854	0.9
121.06510	0.1
122.06051	0.1
123.04433	0.7
124.99199	0.1
126.05516	0.4
127.03936	0.8
128.10721	0.6
128.98685	0.2
129.06622	0.7
129.10222	0.5
130.04988	0.3
130.08632	0.2
131.00165	1.4
131.01843	0.3
132.00566	0.2
132.10199	0.6
133.03473	0.3
134.03618	0.3
136.06194	100.0
136.99985	0.4
137.04573	0.8
137.06584	0.3
143.00139	0.2
143.01857	0.7
144.02068	0.4
144.04065	0.5
144.06607	0.1
145.03494	0.2
145.04971	0.4
146.99814	0.1
147.03259	0.2
147.07651	0.4
148.06093	0.5
149.01228	0.5
150.05537	0.5
151.03882	0.3
151.07555	0.7
155.04739	0.2
158.99710	0.3
161.02948	0.7
162.03110	0.7
164.99513	2.2
168.06570	0.4
169.04991	0.5
170.11845	0.2
171.07719	0.3
173.12862	0.4
174.04510	0.2
175.02869	0.3
175.04462	0.2
177.00703	0.3
178.04959	0.3
185.02859	0.2
186.05043	0.6
186.07700	0.2
186.11269	0.2
187.14456	0.6
188.07677	0.2
189.08717	0.5
193.03899	0.3
193.56540	0.1
197.12883	1.5
200.04411	0.2
201.12360	0.4
204.04045	0.2
212.07736	0.3
213.01654	0.5
215.13914	2.0
217.08238	0.5
219.01712	0.2
219.07204	0.9
219.13379	0.2
221.06816	0.3
225.12367	0.6
227.02170	0.2
231.64476	0.1
235.04875	0.2
235.09294	0.5
243.13354	0.5
245.05048	0.4
249.06276	0.2
258.06787	0.3
259.07590	0.2
261.02737	0.2
288.12958	0.8
305.10779	0.2
311.09973	0.2
312.10532	0.6
312.15536	0.4
330.05862	0.3
331.16849	0.2
348.07071	9.3
348.23386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0703
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
55.01885	0.3
56.05045	0.5
56.96569	1.1
57.03448	0.9
60.04535	1.0
61.02921	0.7
62.92211	0.2
68.05022	0.3
68.40657	0.2
69.03441	2.6
69.07075	0.5
69.61035	1.1
70.06591	0.8
71.01351	0.2
71.04987	0.3
72.08157	0.8
73.02927	0.4
74.06063	0.5
81.03413	0.7
84.04507	2.4
84.08140	1.1
85.02911	8.5
85.04855	0.2
85.08488	0.2
86.03258	0.2
86.06109	0.2
86.09712	4.8
87.04465	0.4
87.05596	0.2
87.10072	0.2
91.03988	0.2
91.05512	0.3
94.04067	0.4
97.02901	4.2
98.97585	1.4
98.98464	1.8
99.04445	0.5
101.00889	0.6
102.05556	0.6
105.03371	0.3
106.05035	1.6
109.02916	0.4
110.09682	0.9
110.97540	0.3
112.07629	0.2
112.99139	2.6
113.99499	0.4
115.02395	0.2
115.03927	0.4
116.98635	0.4
118.08714	0.2
119.01905	0.6
119.03565	1.1
121.02890	1.3
121.06551	0.2
122.03255	0.2
123.04419	0.2
127.02531	0.2
127.03946	1.2
128.10727	3.4
128.98618	0.2
129.06589	0.5
129.10277	0.4
130.05031	0.3
130.10583	0.2
131.00191	2.4
132.00540	0.3
132.10214	0.3
133.03500	0.5
136.06194	100.0
137.00024	0.3
137.04601	0.8
137.06526	0.5
143.00121	0.3
143.01889	1.1
144.02124	0.5
144.04063	0.5
145.04987	0.8
147.07626	0.3
148.03857	0.2
148.06084	0.2
148.08057	0.2
149.01247	1.1
150.05573	0.3
151.03943	0.2
151.07553	0.7
155.01984	0.3
155.04672	0.7
157.03462	0.2
158.06624	0.2
158.99652	0.3
159.05164	0.3
160.05284	0.3
161.02997	0.6
162.03133	0.6
163.03938	0.8
164.99500	2.6
168.06561	0.3
169.04932	0.3
170.11714	0.2
170.99655	0.4
173.02951	0.4
173.12903	0.5
175.02832	0.3
177.00833	0.3
177.02922	0.2
177.06070	0.2
182.03317	0.2
186.05031	0.7
186.11288	0.3
186.14900	1.2
187.14439	0.4
191.03917	0.3
193.03850	0.8
197.12798	1.0
200.04451	0.4
201.00768	0.3
201.12387	0.3
203.04004	0.2
204.04233	0.4
205.00154	0.2
211.04962	0.5
211.06943	0.2
212.07634	0.6
213.01569	0.4
215.13887	1.6
217.08131	0.3
219.01845	0.4
219.07193	1.1
220.07349	0.4
221.06950	0.3
225.12274	0.3
226.09312	0.2
229.01721	0.3
230.01990	0.2
235.05006	0.2
235.09274	0.2
237.02885	0.3
243.13480	0.5
245.05112	0.6
249.06317	0.6
261.02853	0.3
267.07312	0.3
270.11877	0.3
272.06699	0.3
280.07623	0.3
288.10068	0.3
288.12943	1.1
290.15933	0.3
311.10217	0.4
312.10400	1.4
312.15649	0.3
330.05804	0.2
330.18335	0.2
348.07050	10.4
348.13254	0.5
348.20068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81504	0.8
53.03941	1.9
55.01873	1.9
55.05516	7.5
56.96556	3.1
57.03432	3.6
57.07078	1.3
59.04996	1.3
61.02932	1.3
63.16319	0.8
67.05511	8.5
69.03433	4.9
69.07062	3.5
69.76074	1.8
69.76484	3.1
79.05494	7.3
81.03410	1.7
81.07063	13.9
82.07446	0.8
83.04990	12.6
83.08622	2.1
85.02898	3.9
85.06512	1.4
91.05482	12.0
93.06491	1.3
93.07051	19.4
95.04984	8.2
95.08622	5.7
97.02859	0.9
97.06533	3.7
98.97603	1.3
101.06027	3.2
105.07043	12.9
107.04942	1.5
107.08601	16.8
109.06548	5.8
109.10161	7.8
110.40821	1.0
111.04458	12.6
111.08086	1.7
116.06230	0.9
117.07025	2.0
119.08590	8.7
121.06503	8.2
121.10144	9.7
123.08083	15.3
125.06001	6.6
125.09581	1.4
127.07602	1.2
127.57000	0.8
129.05470	1.5
129.06999	2.8
131.08583	11.6
133.06514	2.1
133.10127	4.0
135.08054	3.4
135.11690	1.2
137.05954	1.5
137.09624	3.1
139.07550	3.3
143.08565	2.7
145.10150	4.5
147.08046	1.9
147.11653	2.6
149.09618	15.4
151.07556	38.4
153.09129	1.2
155.08604	1.3
157.10117	2.8
159.08128	2.1
159.11688	2.7
161.09639	2.2
163.07489	1.0
163.11235	2.5
165.09111	2.0
167.07094	2.2
167.10699	10.3
169.10083	2.2
171.11723	2.5
173.09557	1.1
173.13245	1.4
174.10393	0.8
175.11174	2.1
177.09120	4.0
177.12804	1.0
179.10692	1.7
181.08612	1.5
181.10168	1.2
185.13275	1.2
189.11134	1.1
189.12769	13.7
191.10654	0.9
191.14378	2.0
195.11720	1.0
199.06561	1.0
203.05759	0.9
207.13821	20.0
215.14351	1.8
219.13852	1.0
223.67822	0.9
229.07635	5.6
233.15269	2.2
237.12868	0.9
237.14786	5.5
243.13831	1.0
247.08582	2.0
255.17429	1.2
273.14969	2.7
291.15927	2.1
311.20084	1.7
315.69409	1.0
329.17459	2.1
329.21057	8.0
347.18277	100.0
347.22220	45.5
348.18753	1.5
365.16287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
54.69305	0.4
55.05509	1.2
57.03426	0.7
70.06592	0.5
70.93086	0.6
70.93402	0.7
83.04977	3.6
85.02902	0.7
88.07621	0.8
101.05974	0.9
111.04440	6.1
117.48399	0.4
118.85491	0.4
129.05460	1.0
211.09648	0.6
245.11279	0.5
285.29883	1.3
347.21948	100.0
347.33328	5.6
348.22272	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05516	2.3
57.03427	1.1
59.99282	0.4
65.15273	0.4
69.03416	1.3
69.93049	2.0
71.69140	0.3
73.06551	0.6
76.29374	0.3
79.07541	0.4
83.04978	5.9
85.02895	1.1
88.07612	0.4
98.20853	0.7
101.05997	1.9
111.03712	0.8
111.04446	11.8
129.05475	1.2
167.07033	0.5
185.08133	0.5
186.55661	0.4
211.09781	0.8
299.31235	0.5
347.21942	100.0
348.22214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	(+)-chimonanthine
Peak:m/z	Relative Intensity
53.03933	6.2
55.01870	9.1
55.05517	24.7
56.96564	11.0
57.03436	9.0
57.07076	5.9
59.05006	3.6
65.49071	4.0
67.05514	26.4
69.03429	17.5
69.07071	7.8
71.54955	4.3
76.01022	3.5
79.05473	22.6
81.03429	5.3
81.07061	47.4
83.04981	20.3
83.08656	5.6
85.02907	6.3
91.05494	29.6
92.99062	3.8
93.07044	50.2
95.04971	14.1
95.08604	16.1
97.06535	13.8
98.97581	4.8
101.06026	6.1
105.07050	31.5
107.04964	6.2
107.08603	40.1
109.06534	21.1
109.10153	21.3
111.04420	25.2
117.07038	6.5
119.08617	25.1
121.06528	20.6
121.10143	28.2
123.08073	35.2
125.05982	14.7
128.06186	4.4
129.06990	9.2
131.08575	22.7
133.06500	13.1
133.10152	13.6
135.08081	8.0
135.11688	7.8
137.09624	10.4
139.07527	8.8
143.08583	11.7
145.10133	18.1
147.08092	9.1
147.11716	5.6
149.09634	37.6
150.33292	3.6
151.07555	92.1
155.08577	4.9
157.10172	8.9
159.08092	6.4
159.11684	10.3
161.09589	10.9
165.09128	4.4
167.07039	7.4
167.10713	32.6
171.11687	12.2
171.18292	3.8
173.09674	6.3
173.13344	9.4
175.11247	4.2
177.09210	8.4
183.11571	5.8
189.12758	30.7
199.14684	4.7
207.13811	44.6
209.13231	4.2
213.12830	4.4
221.15359	6.1
233.15308	4.8
237.14922	11.8
243.13786	4.0
269.12302	6.7
273.14789	10.7
293.19138	4.3
311.20038	6.5
329.20978	18.4
347.05881	3.8
347.18292	20.3
347.22122	100.0
365.16434	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	347.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11390	0.7
53.03945	1.3
55.01867	1.2
55.05512	6.5
56.96557	2.9
57.03424	2.1
57.07066	1.3
59.04996	1.5
59.19560	0.7
60.68718	0.7
62.02430	0.7
62.99370	0.6
67.05500	6.2
69.03421	3.5
69.07060	1.8
70.14006	2.1
71.04980	1.1
71.23371	0.7
77.98719	0.8
79.05498	5.5
81.03411	1.5
81.07056	8.5
83.04984	7.2
83.08624	1.4
85.02917	1.2
91.05484	9.4
93.07050	14.5
95.04973	6.1
95.08618	4.7
97.06541	2.9
98.20828	1.0
98.97626	1.2
101.06042	1.7
105.04503	0.8
105.07029	11.1
107.04953	1.4
107.08601	12.0
109.06512	5.3
109.10181	5.7
111.04453	6.3
111.08087	1.2
111.55029	0.6
117.07026	2.3
118.77404	0.7
119.08576	4.7
121.06503	4.8
121.10154	8.9
123.08071	11.0
125.06007	4.5
127.07520	0.8
128.06184	0.8
129.06999	1.0
131.00169	0.7
131.08575	6.3
133.06477	2.2
133.10144	4.3
135.08058	2.2
137.09627	2.8
139.07533	1.9
142.07841	0.8
143.08560	1.4
145.10162	3.2
146.91530	0.7
146.99132	0.7
147.08066	2.0
147.11665	1.9
149.09630	9.8
151.07553	27.2
151.11128	1.0
152.11465	0.8
153.09105	0.9
155.08499	0.7
156.09296	0.9
157.10124	3.6
159.08080	1.1
159.11717	2.4
161.09637	2.3
162.87521	0.7
165.09114	1.8
167.07048	1.3
167.10693	7.6
171.11638	2.2
173.09584	2.2
173.13272	2.6
175.11246	1.3
177.09122	2.7
177.12744	1.1
183.11835	1.5
183.13292	0.7
185.13222	1.1
189.12743	8.9
191.14339	0.9
195.11732	1.1
201.12733	1.5
203.14250	0.8
205.68231	0.7
207.13817	14.5
213.16389	0.7
215.14288	1.2
217.12248	1.0
221.15338	1.1
229.07545	2.0
233.15352	1.8
237.14838	4.3
243.13686	1.1
245.15280	1.3
247.08624	1.1
255.13759	1.0
255.17583	1.1
273.14825	2.1
273.18469	1.4
287.19876	0.9
291.15814	1.6
294.21393	0.7
318.82309	0.7
329.17700	1.1
329.20911	4.2
347.18274	100.0
347.22192	26.3
348.18634	2.3
348.22543	1.0
365.16434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
56.96564	2.2
57.03429	1.2
57.53725	0.4
65.21544	0.4
66.74103	0.4
67.05498	1.8
69.03429	0.8
69.07069	1.0
69.72835	0.8
69.73237	1.9
70.06564	0.4
79.05494	1.6
81.03426	0.9
81.07059	1.5
83.04985	4.7
83.08627	1.2
84.58385	0.4
85.02895	0.8
91.05503	2.0
93.07047	1.8
95.04977	1.2
95.08597	1.5
97.06537	1.2
98.21448	0.5
98.97575	1.7
101.06052	1.4
105.07041	1.0
107.08611	1.3
109.10174	1.0
111.04455	5.7
117.07021	0.6
119.08611	0.8
121.10125	0.6
123.08129	0.4
129.05476	0.6
129.07050	0.5
131.00183	0.6
131.08521	0.7
133.10176	0.5
135.08092	0.8
143.08511	0.7
145.10092	0.6
147.11758	0.5
157.10150	0.7
192.71336	0.5
199.06480	0.5
211.09610	0.6
324.07904	0.4
329.14001	0.4
329.17398	1.7
329.21039	0.5
347.18344	100.0
348.18622	1.5
365.16415	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07433	0.8
52.97536	0.9
55.05513	23.0
57.03440	10.4
59.04996	2.2
65.38496	0.8
69.03433	8.0
71.01360	0.8
71.02006	1.5
73.06561	7.7
83.04985	54.0
85.02907	11.1
87.00813	1.4
87.04453	1.1
95.79582	0.8
101.05394	1.3
101.06017	17.1
105.57250	1.0
111.04447	100.0
119.07092	1.2
129.05489	11.5
147.06525	1.9
167.06998	3.0
184.02928	0.8
185.08078	4.1
203.09154	1.0
211.09605	8.0
229.10614	1.7
259.11920	1.2
301.68396	0.9
303.14468	2.1
320.07495	0.9
347.17078	0.9
363.02161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12719	0.7
53.67641	0.6
53.68904	0.7
55.05517	20.4
56.94653	0.7
57.03187	1.0
57.03441	9.0
57.45522	0.7
59.04998	1.7
59.17247	0.7
69.03432	6.2
71.01362	1.0
71.17383	0.8
71.29282	1.3
72.28789	0.7
73.06561	7.0
80.58746	0.8
83.04990	61.3
85.02914	10.4
87.00825	1.1
87.04475	1.1
100.05059	0.8
101.06021	14.8
111.04453	100.0
112.04842	1.0
119.07117	1.1
129.05495	10.9
141.05371	0.9
146.96616	0.7
147.06540	1.4
167.07059	3.4
185.08144	3.1
187.42308	0.8
211.09689	8.8
229.10797	2.1
241.59074	0.8
247.11736	1.6
303.14365	1.9
347.17252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.183
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
52.61545	1.3
52.68496	1.8
55.05507	6.6
56.96579	13.4
57.03448	3.9
62.51438	1.8
67.05504	6.5
69.03431	1.9
69.07059	2.4
71.53845	2.3
71.95255	2.1
79.05494	4.8
81.07066	5.0
83.04987	12.5
83.13907	1.6
85.02915	3.2
91.05486	6.6
93.07045	5.8
95.04968	3.7
95.08607	4.9
97.06542	3.0
105.07050	5.4
107.08605	5.9
109.10149	3.0
110.97595	1.7
111.04467	14.6
117.07007	3.0
119.08585	5.6
121.10139	2.9
123.08064	2.9
125.05968	2.2
129.05450	1.7
131.08571	4.9
133.10143	5.0
135.08110	1.9
137.05753	2.2
141.05678	1.7
145.10164	2.8
147.08064	1.8
147.11760	2.0
151.07555	3.1
153.52921	1.7
157.10147	4.4
159.11732	2.2
161.09666	2.1
183.03265	2.1
185.13173	2.4
187.07280	4.6
193.14894	1.7
195.09984	22.4
207.13922	1.5
225.08067	2.2
229.07574	2.9
243.08904	2.2
253.11110	3.0
273.18430	2.1
329.14093	5.2
329.17487	18.9
347.15195	17.1
347.18341	100.0
347.21948	3.9
365.16534	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	347.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.05519	22.1
57.03442	10.2
58.20330	0.6
59.05004	1.6
59.80765	0.8
69.03123	0.7
69.03440	6.7
70.71127	1.9
71.04955	0.7
73.06549	6.0
83.04988	59.5
85.02921	10.2
87.00843	1.4
101.06028	16.5
111.04451	100.0
115.12831	0.6
115.17995	0.8
118.89482	0.7
119.07113	1.3
129.05493	10.6
147.06555	2.0
167.07074	3.2
185.08080	4.4
203.09193	0.9
211.09703	6.9
219.69643	0.7
229.10805	2.1
234.46986	0.9
241.10605	1.1
259.11865	0.9
303.14438	2.2
329.20920	8.4
347.21939	20.1
359.32617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.1
57.03198	0.9
57.03442	11.7
59.04988	2.2
66.86622	0.6
69.03429	7.8
69.85616	2.5
73.06559	7.3
75.04470	0.7
80.17621	0.6
83.04982	58.8
85.02901	10.2
87.00821	0.8
90.31693	0.6
98.71576	0.6
101.06017	15.6
101.64017	0.7
104.80333	0.7
111.04444	100.0
119.07087	1.0
129.05473	11.4
129.58000	0.6
147.06496	1.6
150.83412	0.6
167.07013	3.1
185.08109	3.4
203.09201	1.4
211.09688	8.5
229.10690	2.6
241.10873	1.2
241.62799	0.7
247.11821	0.9
259.11725	1.1
303.14465	1.5
347.17554	0.6
347.21869	15.5
364.08752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1679
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.05493	0.4
56.96565	0.3
60.04525	0.3
63.03384	0.2
67.05479	0.3
69.03403	0.3
69.07071	0.4
70.06574	0.2
70.07887	0.8
71.04980	0.3
81.07059	0.4
83.04972	0.4
85.02898	0.4
86.09700	0.3
91.05476	0.6
93.07075	0.3
97.06545	0.3
98.97598	1.2
105.06984	0.2
107.08598	0.3
109.10168	0.5
110.97625	0.2
112.99104	0.3
116.98639	0.4
120.08116	0.2
127.03868	0.3
129.54955	0.2
136.07588	0.4
141.40028	0.2
146.06007	0.3
158.99667	0.3
163.13051	0.2
164.07037	0.2
174.05452	0.2
185.11513	1.8
185.15462	0.2
219.01662	0.3
237.02870	0.3
329.11322	0.5
347.16763	100.0
348.17154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.05515	19.2
57.03438	10.6
59.04993	1.9
69.03434	7.4
70.78705	1.6
73.06229	0.7
73.06566	7.4
81.30279	0.7
83.04984	57.7
85.02905	8.9
87.00814	1.3
101.06026	14.8
111.04449	100.0
119.07030	0.8
129.05496	11.0
139.63417	0.7
147.06511	2.2
164.42000	0.6
167.07031	2.7
185.08101	4.2
203.09134	2.0
211.09639	8.5
213.37430	0.7
229.10771	1.9
241.10782	0.9
247.11914	1.2
259.11810	0.8
299.44211	0.7
302.06198	0.6
303.14441	2.2
313.90414	0.6
347.17078	0.7
358.57489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
55.05505	2.6
57.03439	10.2
59.04994	1.6
64.43703	0.9
67.05503	5.9
68.05013	2.8
69.03415	1.6
69.07066	1.9
69.39013	0.8
71.04979	1.7
71.06839	1.1
71.07183	2.0
79.05500	2.7
80.05021	2.3
80.47583	1.0
81.03420	16.5
81.07059	2.9
82.06577	3.0
82.23839	0.9
83.04967	1.4
83.08611	2.2
84.08121	2.1
85.02901	2.2
85.06547	19.8
86.09699	1.9
91.05480	3.5
93.07050	2.8
94.06548	1.5
95.04967	8.6
95.08595	1.2
97.06557	1.9
98.06065	0.9
98.97579	2.4
98.98472	7.1
102.09206	1.1
105.03419	1.5
105.07028	2.8
106.06580	1.1
107.04922	1.5
107.08624	1.6
111.08104	1.3
112.07589	1.1
114.05528	1.9
114.09195	1.7
119.08644	2.3
120.04514	1.0
120.08082	1.8
121.10124	1.4
122.06037	1.2
124.07600	1.4
127.07568	6.3
129.07005	1.8
130.06526	6.6
131.08557	1.3
132.04465	1.4
133.10129	1.2
136.07552	1.4
137.05983	1.1
138.09105	1.1
144.08102	2.3
145.10025	0.9
146.06000	11.0
147.11751	2.2
148.07529	1.0
150.53584	1.0
152.03375	1.2
154.06505	1.1
155.01033	9.3
157.07626	3.0
157.10114	1.2
158.06017	4.2
160.03946	1.7
160.07597	1.5
161.04805	1.0
162.05453	1.6
168.06741	2.4
168.08110	3.8
169.07611	10.2
170.08267	2.0
170.09680	1.7
171.09219	3.5
172.07565	1.9
175.11171	2.5
176.07083	2.1
178.04985	2.0
181.07562	1.2
182.08354	2.1
183.06844	2.8
183.09232	2.2
184.07596	1.6
184.10019	1.4
185.07094	3.9
185.10783	2.8
186.07713	1.3
186.09140	2.7
187.05040	1.7
187.08696	2.7
193.12241	21.8
195.09209	8.6
196.07710	2.6
196.10022	2.8
197.07117	3.3
197.10716	5.1
198.07874	3.4
198.09258	2.8
199.08693	13.6
200.09402	1.9
201.06654	4.3
201.10278	1.6
203.08182	7.4
209.10864	0.9
210.09122	1.6
211.08705	3.5
212.09372	10.0
212.27026	1.0
213.06599	4.0
213.10233	25.3
215.08229	2.0
215.11838	3.0
223.08763	1.1
224.10834	1.7
225.06720	1.0
225.10315	2.3
226.08803	1.9
227.08101	9.4
227.11853	3.0
228.10298	1.7
229.09676	4.5
231.07722	3.8
237.10175	3.0
238.08618	2.5
239.08061	1.4
239.11874	1.2
241.06119	1.8
241.09721	16.2
242.11830	1.4
243.07576	2.3
243.11246	5.0
244.08400	9.0
245.09109	1.7
251.11725	1.4
255.07750	7.9
255.11282	9.1
257.09213	1.7
259.06848	1.4
259.10776	22.0
265.09702	3.3
266.08432	1.3
267.07733	1.4
269.09280	8.7
269.12860	17.1
271.14383	1.6
273.08685	4.3
275.10196	6.5
283.07855	0.7
283.10785	19.5
287.10336	3.0
293.09097	5.7
297.12271	6.5
301.11884	4.0
301.15585	4.6
311.06567	1.9
311.10233	38.0
315.13388	53.9
319.13223	1.4
329.11331	68.0
347.12375	100.0
347.16113	17.2
348.12790	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	347.124
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.03965	0.5
53.87132	0.4
55.01873	2.8
55.05507	0.6
60.04502	1.2
65.03944	2.7
67.05238	0.4
67.05516	4.2
67.49809	0.4
68.05034	0.4
69.52401	1.1
69.52803	2.6
70.06580	1.2
71.04981	0.6
72.08149	1.1
78.47003	0.4
79.05488	0.7
81.03435	0.6
81.07056	0.6
81.78896	0.4
83.04997	0.5
84.08138	1.2
85.02900	1.1
86.09705	1.2
91.05473	1.0
92.05011	10.8
93.07040	0.6
94.06573	1.7
95.04954	1.9
95.08604	0.6
96.04495	1.4
97.02880	0.5
97.06537	0.7
98.97549	0.7
103.19478	0.4
105.07037	0.5
107.08563	0.6
108.04453	0.8
110.06065	0.9
111.04457	0.9
120.04477	6.2
120.08109	0.7
121.02853	0.7
121.06429	0.5
121.10171	0.7
122.06041	1.5
129.10197	1.0
134.05962	0.6
136.07555	1.4
137.05954	0.6
138.05511	11.4
139.11133	0.6
142.08672	0.5
143.08594	0.7
144.30080	0.5
146.06021	0.9
148.03935	0.8
153.07018	0.7
156.08038	0.5
162.05493	0.7
164.07069	7.0
166.05009	9.1
167.07291	0.5
168.08102	1.0
170.05995	0.7
170.09619	2.9
172.07574	0.8
173.07057	0.5
176.07062	1.5
180.08240	0.5
182.08160	6.4
182.09744	0.7
183.06816	1.0
184.07587	1.2
184.11270	0.9
184.25345	0.5
185.10536	1.1
185.11949	0.8
186.09160	0.7
188.11121	0.4
196.07594	1.5
197.08401	0.7
198.07628	0.7
198.09196	9.2
199.08582	3.5
200.09436	1.2
201.10271	1.1
208.06067	1.1
210.09122	1.5
212.10800	2.6
213.06508	2.2
213.10243	6.1
214.08661	2.8
214.10857	1.1
215.08150	1.4
223.08736	0.6
224.07028	1.2
225.10245	0.7
226.08714	14.5
227.08142	5.5
227.11835	1.9
228.08824	1.0
229.09735	1.1
231.11375	1.3
237.10255	1.0
238.08646	1.9
239.08200	0.6
239.11795	0.8
240.10353	3.9
241.09718	22.8
242.08167	0.7
242.10445	2.5
244.09805	0.5
245.12738	0.5
251.07990	0.5
255.11296	5.1
256.09702	3.3
258.11264	1.9
259.10834	4.4
260.11630	1.5
265.09808	1.9
266.08041	0.7
267.11249	1.8
268.09787	6.6
269.09241	6.8
273.12360	1.0
283.10815	6.6
284.09082	2.8
285.08844	0.5
285.12314	0.6
286.10715	4.8
287.10284	13.6
293.09219	0.8
299.10703	0.5
301.11841	15.1
311.10361	3.7
319.12909	5.3
329.11353	5.1
347.12396	100.0
348.12711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61304	4.3
55.05516	39.2
57.03423	8.5
62.84778	4.3
67.05508	81.4
69.07057	24.8
70.82059	4.6
70.98158	11.5
71.04962	6.3
79.05490	31.4
81.07055	62.6
83.08620	26.5
85.06547	6.0
91.05497	24.8
93.07053	35.9
95.08619	35.5
97.06512	9.8
97.10188	28.0
98.30838	5.1
98.97604	6.9
105.07037	25.8
107.08603	44.4
109.10165	64.5
111.08073	7.2
116.98642	5.1
117.06989	7.3
119.08574	25.8
121.06429	5.4
121.10146	15.2
125.09624	25.1
131.08556	9.9
133.01671	4.4
133.10139	23.4
135.08020	6.4
135.11739	8.5
137.09665	9.0
145.10112	9.1
147.11696	13.4
149.09596	11.2
149.13277	19.0
155.10693	56.7
159.11711	14.6
163.11208	5.0
173.11751	100.0
177.12779	7.1
189.11261	24.5
195.13779	46.2
213.14882	25.1
239.18063	7.9
257.18945	8.0
275.20093	74.3
293.21048	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	347.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
58.99866	1.2
69.03420	2.0
69.21558	0.7
69.36198	5.3
70.99850	2.0
71.05001	0.8
73.02906	0.6
81.03420	1.0
82.99850	3.1
84.08131	1.8
85.01420	3.5
85.01855	0.7
85.02921	4.9
85.54272	0.7
86.09766	1.0
95.01323	1.3
96.34840	0.7
97.01381	4.0
97.02927	2.0
99.04474	0.8
101.00890	18.2
103.02454	4.3
109.01375	0.6
111.02946	3.0
112.99145	11.4
115.02437	65.4
117.04007	0.8
119.01926	12.6
127.02433	2.4
127.03922	2.0
129.03983	14.5
131.00194	8.1
131.01857	1.2
133.03476	100.0
134.03635	1.3
137.04442	0.7
138.03983	0.7
141.03969	15.4
143.01903	1.3
143.05574	1.7
145.03490	3.0
145.04985	1.3
147.05023	22.1
149.01270	2.3
151.04539	6.6
155.01846	0.8
157.03461	1.5
159.05040	59.5
161.02968	1.1
161.05450	1.4
161.06647	1.5
165.06154	2.0
167.01965	1.3
167.05676	0.8
167.70084	0.7
169.03493	1.3
169.07111	1.3
170.06140	2.0
175.02869	2.0
177.06085	25.6
182.06664	1.0
183.05031	2.2
185.02971	4.6
187.02928	1.4
187.04538	2.2
191.07658	12.7
193.03854	3.7
195.01399	1.5
195.05090	3.6
195.07172	13.3
197.06548	4.7
199.04546	1.9
200.07808	0.8
201.06064	4.1
203.04070	2.5
209.02994	1.5
209.06757	0.5
209.08716	13.6
211.04878	1.6
211.08214	1.0
213.02423	7.5
213.06027	5.1
215.07719	4.1
219.07094	6.6
220.07095	1.1
223.04549	2.9
227.03990	8.2
227.07599	1.2
229.01593	3.7
229.09294	1.7
231.03520	6.2
239.00449	1.8
241.05557	11.4
243.07176	8.1
245.05090	8.2
249.06496	0.9
255.07095	3.4
257.01492	1.7
259.06656	5.3
259.10162	1.7
267.03537	2.6
271.06641	28.9
271.09616	1.4
273.08234	3.4
285.04816	1.5
285.08163	3.4
289.07672	12.7
297.04501	1.4
303.09302	10.0
311.10010	10.7
312.09216	0.8
315.05588	44.3
316.05869	1.1
321.10345	0.8
329.07196	7.1
333.06683	12.4
347.08221	42.3
347.22623	0.8
348.08423	1.3
356.08221	0.9
365.09293	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	346.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.05508	9.9
56.05030	2.7
56.70605	0.9
56.96555	3.1
57.03423	1.3
57.52005	1.1
60.04527	29.8
61.02916	1.0
67.05512	6.1
69.03419	2.1
69.07066	4.9
70.02956	2.1
70.06588	3.7
71.04990	1.2
71.53709	1.2
71.54115	1.6
72.04528	1.3
72.08157	71.7
73.02901	1.6
74.06064	3.0
79.05497	4.5
81.03410	1.9
81.07029	5.2
82.06586	4.6
83.04955	1.8
84.04489	1.8
84.08134	2.5
85.02898	4.4
85.04020	2.2
85.06592	1.2
86.09706	50.5
88.03992	12.5
91.05483	4.1
93.07059	5.1
94.06575	1.5
95.04968	1.8
95.08600	7.7
96.08132	2.8
97.02862	2.1
97.06548	1.0
98.02426	4.9
98.06017	1.3
98.97591	9.2
99.09225	3.4
100.03980	1.9
102.05531	1.2
105.07039	3.0
107.04993	1.6
107.08598	3.6
109.06594	1.2
109.10180	1.6
110.06075	1.2
110.09660	1.0
112.99113	1.5
113.10759	1.6
116.07085	1.2
116.98627	4.1
117.07011	1.7
118.08659	2.8
119.08573	2.3
120.08088	2.2
121.06521	1.2
121.10119	1.7
124.07593	4.8
125.05161	0.9
125.09642	1.8
125.97148	1.0
126.05498	1.5
126.09919	1.0
127.08678	18.7
128.07030	2.4
129.10258	1.7
130.06538	1.0
131.00150	2.9
131.01674	1.3
131.08582	3.0
132.10197	7.9
133.10146	1.4
137.05966	2.5
138.09146	6.1
141.09216	1.5
141.10165	6.5
142.08627	24.8
145.10048	1.1
147.08052	1.3
149.09599	1.4
152.07065	1.2
156.10210	5.4
158.99687	3.4
166.04883	1.5
169.09691	5.5
170.08112	3.4
173.01224	3.2
177.00755	1.6
183.11320	2.4
184.09698	2.2
184.11349	1.3
184.14171	1.7
187.10783	100.0
191.02357	2.2
195.50952	1.1
197.09154	1.7
201.12338	43.3
203.14113	1.1
215.10291	32.1
216.15965	1.2
219.01804	1.4
229.11768	9.7
231.17114	2.0
241.09645	2.0
244.99693	3.4
253.05312	1.1
292.22665	1.5
301.12143	1.0
310.23770	4.1
328.24789	7.1
346.13586	1.4
346.25894	30.8
347.12381	7.2
347.16144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38811	0.9
56.05029	3.1
56.96329	1.0
56.96569	9.8
58.06587	1.4
60.04515	2.9
67.05513	1.3
67.59686	1.1
69.03424	1.4
69.07063	3.8
69.54053	5.6
70.06571	2.9
71.04985	1.0
72.08167	4.5
74.06086	11.0
76.13525	0.8
79.05482	2.0
81.07051	2.0
82.06593	1.0
83.04916	0.9
83.20929	0.8
84.04512	5.6
84.08157	1.6
84.96051	6.4
85.02899	2.0
85.54408	0.8
86.06067	1.9
86.09711	47.6
88.07642	0.9
91.05467	2.1
92.05787	0.8
93.07034	1.2
98.97588	100.0
101.07159	6.8
102.05533	3.1
105.07013	1.1
107.04951	1.3
107.08584	1.4
110.05965	1.0
110.97577	1.9
112.99139	20.0
116.98624	31.0
120.06605	1.0
120.08091	1.7
124.95477	5.9
126.09159	1.0
128.98598	2.8
131.00179	22.4
131.08501	1.2
131.87068	0.8
132.10202	2.6
134.99649	5.4
137.05945	4.9
138.06322	3.0
140.00142	0.9
140.98601	3.6
142.12320	4.4
142.96526	5.4
143.11763	1.6
144.98070	3.8
146.11752	6.0
147.78354	0.9
149.01247	6.0
149.09616	2.1
154.01762	0.9
155.08202	1.5
155.42885	1.0
156.48761	0.9
158.99660	33.2
160.97562	4.0
162.99150	2.0
170.99573	1.0
173.01236	38.2
173.09200	1.7
177.00728	23.5
182.99571	1.2
184.03732	2.1
184.97627	5.0
185.04259	2.2
187.14432	34.8
187.66083	0.9
190.05357	1.3
191.02281	24.8
200.02322	1.8
201.00737	13.7
201.08583	2.1
202.98657	12.1
214.03853	2.5
215.13913	15.5
219.01784	13.9
220.99710	2.1
222.61697	1.1
226.98628	3.5
231.11005	0.9
233.14990	3.4
244.97189	1.8
244.99696	35.7
245.18590	1.3
256.19141	1.0
263.00803	8.3
286.02203	1.1
305.01767	1.9
308.35165	0.9
310.23767	1.6
323.02545	1.0
346.08914	4.0
346.25955	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
55.99450	0.6
56.96562	7.8
60.04523	7.5
67.05500	0.9
69.03417	2.2
70.06552	1.0
70.53609	2.1
72.08144	1.8
81.03407	1.7
81.07064	1.6
83.04978	0.9
83.08630	0.8
84.96031	4.1
86.09706	27.0
87.05590	2.8
93.07014	1.0
95.08587	0.9
97.02892	1.5
98.97584	100.0
99.04390	0.8
100.11242	1.7
107.04924	0.8
110.97613	2.0
112.98477	0.5
112.99132	18.5
116.98624	35.9
121.10177	0.8
124.95480	4.4
128.10713	1.6
128.98628	3.2
131.00168	19.3
134.99655	7.1
140.00221	2.2
140.98634	1.8
142.96501	4.4
144.98073	2.4
146.11763	13.2
149.01202	8.4
154.01729	1.2
158.99661	32.5
160.97603	3.2
162.99214	2.2
167.07053	1.1
173.01227	37.9
173.12883	21.7
177.00719	24.1
178.59445	0.7
178.98682	0.8
182.01357	0.9
182.99583	0.9
184.97603	5.9
189.00771	1.5
191.02271	24.5
191.26476	0.8
195.01782	1.8
200.02332	2.7
201.00722	11.8
201.12344	5.9
202.98627	13.0
210.06236	0.9
214.03903	4.9
219.01759	14.8
220.99651	1.8
226.00148	1.0
226.98616	2.3
231.01889	1.3
237.03210	0.8
242.03404	1.6
244.99707	43.0
262.12915	0.8
263.00705	8.9
268.01300	2.2
281.01770	1.2
286.02289	1.7
305.01950	1.7
323.02939	1.4
345.31287	3.5
346.26199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19109	1.1
53.03942	1.8
55.01865	2.6
55.05514	17.8
56.96558	1.9
57.03448	2.7
57.07082	9.6
59.04993	4.2
67.05509	24.8
69.03436	7.8
69.07070	52.5
69.33239	9.0
70.06575	1.4
71.04975	4.6
71.08632	3.3
74.02157	1.1
79.05489	11.4
81.03414	2.9
81.07060	100.0
83.04984	3.8
83.08620	16.2
85.02898	2.9
85.06541	12.9
86.09686	1.2
91.05486	6.6
93.07047	26.7
93.72204	1.0
95.04954	3.0
95.08613	67.7
97.02888	1.9
97.06537	12.3
97.10157	6.1
98.97572	6.7
99.04410	1.3
99.08091	7.1
105.07046	6.9
107.07883	1.8
107.08596	27.7
109.06546	1.2
109.10164	26.8
111.04451	2.3
111.08081	17.8
111.11719	13.9
112.99142	2.5
113.09634	2.3
115.07558	1.6
116.98583	1.3
119.08574	5.0
121.10158	16.5
123.08048	1.2
123.11716	30.4
125.09665	2.6
125.13271	3.2
127.03951	2.3
127.11194	3.8
131.00148	1.5
133.10115	4.2
135.11702	16.0
137.06006	1.5
137.13257	24.7
139.11197	1.7
145.10185	1.4
147.11716	2.2
149.13266	26.6
151.14828	3.6
153.12762	19.3
155.14330	8.1
157.10190	1.6
158.99612	3.9
161.13255	2.5
163.14851	6.7
165.12761	2.1
165.16368	2.0
165.78395	1.0
167.14340	6.5
171.13800	4.7
173.01219	2.6
173.15375	3.0
173.86031	1.1
177.00693	1.7
177.05388	1.2
177.16388	2.7
189.16377	1.5
191.02228	1.3
191.17981	1.3
195.17513	1.6
205.19568	1.3
244.99538	1.8
261.25827	1.3
273.25757	2.4
279.26825	4.7
291.26886	11.0
297.27890	2.4
309.27893	13.7
313.11234	1.3
327.28979	3.0
345.06125	3.7
345.13409	1.5
345.18805	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	345.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
53.04842	2.3
55.01871	3.4
55.05512	20.2
56.96561	7.3
57.03426	3.6
57.07075	12.5
59.04993	4.9
63.80975	2.1
67.05513	31.5
69.03426	15.2
69.06693	3.1
69.07070	54.7
69.39106	4.9
69.39512	14.6
71.04990	6.6
71.08623	3.7
72.08137	3.6
73.06519	2.6
79.05510	15.9
81.03416	3.4
81.07056	100.0
82.07376	2.4
83.04980	5.3
83.08625	24.5
84.96043	2.9
85.02903	5.7
85.06554	25.4
91.05461	12.9
93.07049	33.3
95.04957	6.1
95.08613	67.7
97.02882	7.3
97.06541	18.8
97.10168	7.5
98.20733	3.9
98.97584	27.7
99.08083	9.5
105.07052	16.3
107.08596	36.4
109.02873	2.9
109.06519	2.6
109.10167	33.8
111.04414	3.8
111.08083	20.6
111.11723	12.3
112.99166	5.1
116.98625	9.7
119.08569	10.8
121.06479	3.8
121.10147	14.3
123.11726	29.4
125.09597	6.9
125.13235	4.7
127.11197	4.1
131.00137	4.6
131.08530	3.7
133.10117	6.8
135.11670	19.6
137.13251	29.9
139.11198	3.0
140.91505	2.4
140.98653	2.3
142.07899	2.7
142.12227	2.5
145.04918	2.4
145.10135	4.0
147.11728	5.1
149.01193	3.1
149.13264	27.8
151.14804	3.4
153.12758	16.4
155.14323	8.4
158.99669	10.4
159.08089	3.9
159.11668	3.9
161.13223	4.2
163.14821	6.8
167.14336	8.3
167.47079	2.5
171.13907	5.1
173.01199	6.7
173.83060	3.0
177.00710	9.6
189.11200	2.9
191.02303	6.0
202.23729	2.4
219.01833	6.0
244.99789	8.1
279.26791	6.8
291.26804	7.8
305.63724	2.5
309.27832	13.8
311.65146	3.6
313.03537	4.4
317.52051	2.7
324.11282	3.2
327.29105	2.7
330.03699	3.2
345.05878	17.1
345.09680	3.0
345.13370	3.9
345.20477	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	345.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
55.05507	11.5
56.05023	1.6
56.96561	3.1
57.03438	1.7
57.07058	1.3
60.04530	9.0
67.05505	3.7
67.28867	1.2
69.03425	4.4
69.07066	7.0
70.02939	3.1
70.06593	8.2
70.75468	1.4
71.04980	2.1
71.06925	1.4
71.53191	1.5
72.08159	100.0
72.96999	1.2
74.02473	1.2
76.02196	1.9
79.05501	2.7
81.03406	3.1
81.07060	3.0
82.06593	4.2
83.04981	3.8
83.06110	1.8
83.08615	1.9
84.04506	3.1
84.08159	6.3
85.02894	4.3
85.04026	2.4
85.06555	1.8
86.09711	58.1
87.05589	15.8
88.03978	4.7
91.05479	5.4
93.07053	4.6
95.04982	2.2
95.08603	2.8
96.08136	5.1
97.02887	4.6
97.06537	1.4
98.02409	9.5
98.97582	4.7
99.09205	6.2
104.07097	2.7
105.03391	3.2
105.07021	4.4
106.02946	4.0
107.04922	1.6
107.08595	4.8
109.02859	1.4
109.06512	2.3
109.10143	2.1
110.02424	5.9
110.06013	1.4
111.04456	1.7
111.08078	1.8
112.11286	1.6
113.10766	1.9
115.93674	1.4
116.07114	4.1
116.98608	1.4
118.08701	2.3
119.08592	5.2
120.08131	2.2
121.02888	4.0
121.06509	1.4
121.10110	2.6
122.02745	6.4
124.03942	5.1
124.07603	5.6
125.04327	2.5
127.03961	2.3
127.08686	24.1
129.09229	1.6
129.10266	3.9
130.08632	1.9
131.08578	4.0
132.08960	1.3
132.10202	5.5
133.10069	2.1
135.08110	1.5
137.06036	2.9
137.09644	2.3
138.09138	3.8
141.10226	32.6
145.10075	1.8
152.07097	5.1
153.09091	1.4
155.11794	6.4
157.09857	2.1
166.08665	4.1
169.09734	17.6
178.09398	2.8
183.11420	7.4
186.12386	91.1
187.10732	1.3
200.13951	30.2
207.11694	2.4
211.76643	1.4
214.11870	39.8
217.10094	1.5
223.14854	2.2
225.16481	1.7
228.13455	10.3
229.11853	1.7
231.17029	4.4
233.13391	1.5
237.16251	1.5
241.15512	2.0
245.13240	2.9
246.14415	4.5
247.14877	2.7
251.07320	2.7
253.03510	1.4
259.14761	2.1
261.16476	2.3
264.51910	1.2
265.15549	2.4
269.15015	1.6
275.17926	1.7
282.18246	1.7
287.05530	4.7
287.17706	2.0
289.19370	2.1
301.12469	2.1
311.16104	5.9
313.03214	1.5
315.20868	6.5
327.20175	2.4
330.23462	2.1
345.06094	3.2
345.11493	21.2
345.15530	9.1
345.21927	3.5
345.25775	43.5
346.25888	7.6
361.02435	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	345.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01853	0.7
55.05505	2.0
56.96568	0.8
57.03427	1.7
57.07066	1.2
60.04510	0.7
61.02925	1.1
67.05495	2.1
69.03434	29.4
69.07070	10.4
69.98978	0.5
70.06577	1.5
70.39566	0.8
70.39967	1.1
71.04979	1.1
71.08611	0.5
72.08168	0.5
73.02906	0.6
74.06089	0.5
79.05499	3.7
81.03417	4.1
81.07061	20.1
83.04980	4.0
83.08627	1.2
83.46867	0.5
84.08155	1.0
85.02910	9.1
85.06547	4.8
86.09241	0.6
86.09719	5.6
87.04462	0.9
87.10031	1.5
91.05468	1.0
93.07047	1.9
95.04975	1.7
95.08614	5.1
97.02904	6.6
97.06541	1.9
97.10191	0.6
98.97593	3.9
99.04459	5.3
99.08101	11.9
103.05458	0.6
104.20130	0.5
105.07027	2.1
107.04961	0.6
107.08597	4.2
109.02876	1.3
109.06520	5.5
109.10181	3.1
111.04529	0.6
111.08080	1.7
112.99187	0.6
113.05988	1.9
115.03942	1.2
115.69553	0.5
116.07032	0.4
116.98621	0.8
119.08582	1.3
120.08131	0.5
121.09341	0.7
121.10161	10.1
123.04446	0.8
123.08072	2.4
123.11705	4.1
125.06059	0.5
125.09650	7.7
127.03933	2.3
127.07561	2.5
130.06541	0.5
131.00215	0.5
131.08545	0.6
133.05038	0.6
133.10074	0.7
135.08040	0.9
135.11714	0.5
137.05971	1.4
137.09642	2.3
137.13257	1.7
139.11179	9.7
143.00218	0.8
145.04988	4.3
147.11687	2.0
151.03963	1.0
158.99628	0.7
163.11206	0.4
165.12717	4.2
172.03934	0.7
177.00729	0.6
177.05469	0.8
182.63763	0.4
183.13817	100.0
184.07339	0.8
187.14471	1.2
203.05330	0.6
204.06680	0.7
219.01869	0.6
241.07117	1.5
245.00044	0.6
313.03293	0.5
324.10983	1.0
327.07159	2.9
339.32513	0.5
345.06104	1.3
345.15259	4.1
345.24704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88563	1.0
53.03938	1.1
55.05515	6.0
56.96561	2.4
57.03424	1.3
57.07067	1.1
60.04514	2.5
67.05521	1.7
67.14509	0.8
68.05849	0.9
69.03429	5.1
69.07058	2.8
70.06328	0.7
70.06604	7.5
71.52657	0.9
72.08160	46.3
74.06092	0.9
79.05492	2.1
81.03410	2.1
81.07071	2.2
83.04967	3.4
84.04497	2.8
84.08152	6.5
84.95981	1.0
85.02929	4.8
85.06542	2.1
86.09711	26.1
87.04446	0.9
87.05576	2.3
88.03976	1.1
89.06020	2.8
90.06338	1.3
91.05479	6.1
93.07033	2.5
95.04979	1.7
95.08617	2.2
97.02863	3.0
97.06483	1.1
98.97572	5.1
99.04460	1.8
104.07091	1.5
105.03384	1.4
105.07017	3.0
107.04975	1.9
107.08583	2.5
109.02887	1.2
109.06516	1.2
109.10165	1.3
111.04433	2.6
115.05044	1.6
116.07083	1.7
116.98615	2.6
119.01855	0.9
119.04956	1.2
119.08567	2.6
120.08095	1.1
121.02903	1.7
121.10117	2.6
123.04417	1.4
123.08065	1.7
123.11751	0.9
125.09628	2.3
127.00057	1.0
127.03908	0.9
127.08681	1.0
128.98578	1.0
129.06964	0.9
129.09184	1.0
129.10225	6.0
131.08578	1.5
132.10175	2.1
133.08641	1.7
133.10092	1.6
137.05988	3.3
141.10181	1.8
142.03236	2.9
143.11765	1.8
145.04898	0.9
145.10063	1.3
147.04376	3.4
147.08003	1.9
151.03957	1.0
152.07050	1.2
153.09230	1.4
155.26291	0.8
158.99692	2.1
161.01324	0.9
165.05330	0.9
165.09166	1.9
165.12755	1.2
167.07062	1.5
169.09798	2.4
170.02721	0.9
183.03017	1.8
183.10077	1.7
183.11494	1.2
183.13680	1.1
186.12384	5.2
187.10844	1.7
189.12436	2.0
194.06944	1.0
200.13893	2.1
214.11929	6.2
227.05147	1.1
231.17032	1.4
241.10590	1.9
242.15002	1.4
249.02988	1.3
259.11496	2.4
260.57129	1.0
263.60040	0.9
271.04315	1.5
274.90616	1.1
301.12567	12.8
313.03317	1.3
328.20557	1.1
345.06421	3.5
345.11511	100.0
345.15054	10.7
346.11600	1.0
358.08218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05519	18.5
56.96554	1.1
57.03431	1.1
57.90771	0.9
58.99594	5.0
65.03943	1.0
67.05506	2.3
69.03429	12.3
69.07063	1.3
69.34090	8.6
70.06588	1.7
71.04984	2.4
72.08156	1.3
76.04006	1.4
79.05487	3.2
80.05025	13.7
81.03407	4.0
81.07044	3.7
83.04990	1.6
83.08627	13.0
84.04499	3.3
84.08102	1.4
85.02895	4.3
86.06058	1.1
86.09719	2.3
86.99043	3.8
88.44029	0.9
91.05483	1.9
93.07043	1.8
95.05003	2.0
95.08590	1.8
97.02884	4.0
97.06557	1.1
98.97598	4.6
99.02698	0.9
99.04485	1.7
105.07010	1.5
107.08592	1.6
108.04462	3.3
109.02871	1.6
109.10180	1.5
114.03758	12.4
116.01694	11.7
116.98698	1.3
119.08537	1.9
121.02872	2.2
123.04407	1.9
127.56850	1.0
129.07024	1.2
134.48447	0.9
136.03911	2.5
137.02359	12.5
137.03380	1.1
137.05997	1.3
139.05724	1.1
142.03230	100.0
144.01134	5.8
145.04959	2.1
145.10023	1.0
149.02354	1.4
150.03105	1.0
151.03807	1.2
158.99608	1.2
159.08386	12.4
161.02373	2.1
162.00838	1.1
162.02217	22.0
165.01955	1.1
165.05495	1.1
167.03310	1.7
170.01294	1.9
170.02727	33.6
173.01231	2.0
179.03372	1.2
183.13745	0.9
195.02870	2.9
197.05962	1.6
199.05368	5.8
207.08437	1.0
209.11803	1.0
211.06969	1.0
227.04845	3.8
242.05867	1.0
242.12065	3.6
243.06813	1.0
244.10008	1.0
244.99643	1.0
245.05968	21.2
253.05148	1.1
262.11118	7.2
270.11606	2.6
271.06030	3.7
288.06241	1.5
299.05524	9.2
301.03421	1.9
302.04108	6.5
307.12201	1.0
313.03333	1.3
313.10675	1.4
315.04987	5.6
316.02643	1.2
316.05743	7.7
327.05020	3.6
330.03650	1.0
345.06061	98.3
345.14413	4.2
345.18787	3.6
346.06451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1156
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
54.62483	0.6
55.05501	0.8
67.05501	1.3
69.03413	2.0
70.06579	2.0
71.02988	1.2
71.03396	1.1
72.08154	1.0
74.98630	0.5
79.05498	1.4
81.03407	0.7
81.07050	1.5
83.06088	0.7
84.04512	0.7
84.08128	1.6
85.02901	2.7
85.06572	0.6
86.09703	2.9
89.07148	1.3
91.05447	1.3
93.07025	1.4
95.08597	0.8
97.02889	0.8
98.97581	1.9
107.04967	1.1
107.08593	1.5
109.06492	1.3
119.08573	0.9
121.10145	0.7
123.08051	0.7
125.09622	0.8
127.03922	0.9
133.90248	0.5
135.08066	3.9
137.06007	3.3
146.11763	1.3
153.09210	1.1
155.08127	0.6
165.09113	0.9
165.12798	0.9
183.10095	0.8
200.10275	1.1
227.05115	0.7
259.11536	1.7
271.04272	1.2
277.11398	0.7
301.12604	14.6
315.01645	0.8
337.95990	0.5
345.11554	100.0
346.11996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52771	0.8
58.72921	0.7
61.02922	1.1
69.03439	1.0
69.85821	0.7
71.28156	0.6
71.51668	0.9
73.19798	0.7
73.25944	0.7
81.03417	0.9
84.04518	1.0
85.02919	1.6
97.02928	0.9
98.97595	4.5
109.36722	0.7
116.98611	1.4
119.01936	1.0
136.93156	1.6
154.94237	2.0
158.99902	1.1
169.52821	0.8
172.95305	2.0
177.00966	4.5
178.94495	0.8
182.99834	0.8
196.95509	2.4
199.97995	0.7
200.94017	0.8
201.01001	5.1
202.94489	1.4
214.96555	12.3
219.02022	43.8
220.02180	1.5
220.95619	3.1
227.02620	1.8
228.97926	2.9
238.96526	11.0
242.03693	1.9
242.99680	0.8
243.02042	2.3
246.99022	2.0
256.97604	79.5
257.97693	2.1
261.03125	1.9
262.96527	1.5
263.03082	1.3
264.98224	0.8
279.98270	1.2
280.97577	12.4
285.00525	3.1
285.03320	1.1
286.04251	1.5
296.78018	0.8
298.98627	100.0
299.98621	2.8
303.01355	1.9
303.04233	2.3
309.94733	1.3
310.44629	1.1
310.94458	1.4
319.95135	1.1
320.95358	1.2
322.00131	6.3
345.03625	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.4
57.07063	8.6
63.32205	3.1
67.05505	37.8
69.03437	4.3
69.07072	24.3
70.26611	9.7
71.04989	3.2
71.08621	12.8
79.05490	18.2
81.03403	14.6
81.07053	28.1
83.04968	8.0
83.08612	7.8
85.10178	3.1
91.05470	12.1
93.07048	39.9
95.04962	14.1
95.08606	44.4
97.06514	8.9
97.10157	10.6
99.08096	6.1
101.52738	3.2
105.07026	12.0
107.08587	19.6
109.06503	5.9
109.10169	16.5
113.09623	10.0
117.12337	3.1
119.08574	9.7
121.10130	27.9
123.11738	4.3
125.09632	6.5
129.06992	3.3
131.08582	6.7
133.10139	5.5
135.11662	10.0
137.09605	14.1
139.11156	13.0
145.02850	6.3
145.10060	4.3
147.11676	9.6
149.09581	9.1
149.13277	6.0
151.11177	5.6
154.26610	3.0
159.11708	4.4
163.14763	3.3
173.13260	4.7
177.05472	6.9
177.33551	3.1
193.12184	4.4
198.92404	3.2
210.72366	4.0
217.14310	15.5
225.84174	3.0
229.38971	3.2
241.19574	5.3
249.22107	5.1
259.20493	5.5
277.21640	100.0
289.74408	3.2
295.22705	35.4
309.24197	25.7
344.18811	18.0
344.22388	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01863	5.7
55.05516	39.4
57.03434	8.7
67.05506	100.0
68.55995	3.8
69.03419	5.3
69.07069	28.7
71.05011	7.9
71.08633	10.8
71.37077	4.9
79.05504	35.6
81.03428	6.5
81.07057	91.5
83.04977	14.3
83.08633	25.0
85.06561	10.8
91.05474	26.4
93.07044	60.0
95.04979	10.3
95.08609	46.0
97.06525	11.8
97.10172	11.7
99.08094	16.4
102.92078	5.0
105.07047	21.7
107.08596	32.7
109.10153	47.2
109.35441	3.6
111.08069	10.0
113.16614	4.1
117.07053	9.1
119.08576	21.1
121.10194	19.3
123.11731	7.2
125.09635	7.3
126.95577	3.8
131.08582	8.0
133.10139	20.3
135.11708	18.1
137.09647	8.9
139.11186	23.3
143.08446	4.0
146.22537	3.6
147.11673	7.3
149.13269	38.9
151.11183	7.6
155.10680	25.6
159.11644	18.6
161.09587	4.7
161.13289	11.0
163.11342	7.2
163.14842	7.3
165.12901	4.5
173.11766	49.1
173.13182	6.2
175.11189	6.1
175.14853	6.5
177.12733	10.6
179.14194	4.6
187.13283	13.7
193.12213	8.7
195.13814	32.8
217.19478	4.0
237.58269	4.3
241.19501	6.3
259.20538	7.9
277.21625	38.9
287.00330	3.9
291.23291	9.3
302.16367	5.1
309.24249	7.7
326.30789	4.2
345.20184	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93918	5.4
53.03939	8.2
54.15906	5.6
55.01874	7.7
55.05515	56.5
57.03438	13.7
57.07075	14.0
67.05510	76.5
69.03444	12.6
69.07074	45.3
70.13592	10.8
70.13981	14.8
71.05010	6.3
71.08631	15.6
79.05499	46.6
81.07061	100.0
83.05013	27.8
83.08642	26.5
85.06545	12.0
91.05487	40.0
93.07059	86.3
95.04983	19.8
95.08615	50.6
95.86151	4.5
97.06533	23.4
97.10153	21.1
99.08096	18.5
105.07028	23.5
107.08601	39.1
109.10152	23.3
111.08097	5.5
117.06985	7.2
119.08604	23.9
121.10136	28.7
123.11713	7.3
125.09608	14.5
129.07014	9.1
131.08589	11.5
133.10149	28.3
135.11684	27.1
137.09587	8.7
139.11206	46.0
145.10147	10.8
147.11694	19.4
149.13248	37.0
157.10182	10.2
159.11732	21.9
161.09665	5.3
161.13278	15.1
165.12762	8.7
171.11734	9.4
175.11145	6.9
175.14818	7.5
177.12793	11.6
182.38921	5.8
185.13232	5.6
193.12360	7.0
195.13840	30.7
203.12782	20.2
207.14030	5.6
209.15285	6.0
217.19585	6.4
221.15366	8.0
229.85330	5.2
231.21236	7.7
241.19585	15.5
243.83272	5.6
249.22171	6.3
259.20621	14.4
277.21619	95.0
291.13565	5.6
291.23239	16.4
309.24069	24.2
324.99008	5.4
326.46143	6.0
344.35507	7.7
344.58392	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84795	7.1
55.01867	18.9
55.05515	71.7
55.17764	8.3
57.07072	11.9
67.05507	85.4
69.07088	49.9
70.92306	16.6
70.92641	7.6
71.04961	7.8
71.08629	32.5
77.13242	10.3
79.05493	69.1
81.07058	100.0
83.04967	20.3
83.08621	29.5
85.06544	10.6
91.05480	50.7
93.07054	90.5
95.04956	24.4
95.08624	56.1
97.06539	19.5
97.10182	13.8
99.08085	34.5
105.07048	40.8
107.08629	42.1
109.10144	31.6
117.06986	11.6
119.08580	31.7
121.10146	32.9
122.00082	9.2
123.11693	9.7
131.08588	15.7
133.10120	37.1
135.11673	33.0
137.09674	11.0
139.11183	49.9
143.08638	8.9
147.11685	19.1
149.13295	39.1
151.11160	16.7
157.10197	8.9
159.11725	21.7
161.13260	22.6
163.11217	12.2
164.03467	8.8
175.14792	11.0
177.12857	8.7
185.13313	12.6
193.12225	11.0
202.97859	7.8
203.77985	10.8
210.99706	7.7
221.15498	8.9
241.19360	11.6
247.07468	9.5
249.22044	7.7
259.20700	14.1
277.21713	82.9
291.23224	28.7
309.24277	16.9
340.02463	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.05516	50.2
56.96565	11.5
57.01905	4.6
57.03437	9.5
59.05004	4.5
60.16367	3.3
65.03925	5.9
67.05508	100.0
69.03426	11.6
69.07062	27.7
70.06586	3.4
71.01362	4.3
71.04985	13.6
71.53897	4.5
79.05499	70.9
81.03448	22.7
81.07063	59.8
81.29417	3.8
83.04965	15.6
83.08633	26.5
85.02954	5.0
85.06536	5.1
85.80975	4.5
91.05492	53.4
93.07050	54.4
95.04963	30.1
95.08619	43.1
97.06517	14.6
97.10190	33.8
103.05491	4.6
105.04545	5.1
105.07031	26.5
107.04960	7.7
107.08610	50.9
109.06512	12.6
109.10168	31.2
111.08080	6.1
117.07037	9.1
119.08573	24.4
121.06510	21.1
121.10148	21.4
123.08084	8.5
125.09664	24.5
129.06953	5.3
131.08551	11.9
133.10144	18.6
135.08081	5.5
135.11723	8.8
137.09624	4.9
138.01056	3.6
139.11154	5.8
143.08502	4.3
145.02846	4.8
145.10143	6.8
147.11710	5.4
149.09656	9.1
159.11720	5.0
160.11212	18.7
173.11734	11.2
173.13240	3.4
177.05470	4.9
178.12364	4.9
189.11230	29.5
223.13356	3.8
275.20071	29.4
314.11624	9.0
323.64456	8.4
344.18616	20.2
345.06104	5.6
351.18210	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01855	4.8
55.05511	44.8
57.07075	1.9
57.29176	2.0
58.19566	1.8
59.69587	2.4
64.22849	1.8
67.05507	25.1
69.03418	5.2
69.07075	11.2
70.80002	2.7
70.80327	4.0
71.08633	48.6
79.05499	19.7
81.03392	2.3
81.07055	20.9
82.72630	1.9
83.05009	3.5
83.08619	32.9
91.05470	7.5
93.07042	17.4
95.04965	3.6
95.08600	7.6
97.10172	71.3
99.08097	49.0
105.07028	5.0
107.08591	37.9
109.10176	9.6
111.08107	6.3
116.10734	2.3
117.07011	5.6
119.08614	4.1
121.10151	6.0
125.09631	66.7
133.10146	4.0
135.08043	10.8
135.11691	7.9
139.07521	4.9
144.95120	2.1
145.10110	4.8
147.11708	4.2
149.13274	3.7
151.11163	16.8
153.09103	13.1
157.08591	2.9
157.12259	6.9
161.13203	6.9
163.11153	8.8
171.10185	6.7
171.11620	2.5
179.14319	5.4
185.11826	2.6
193.15910	6.0
203.12787	100.0
220.07983	1.9
225.18600	4.7
231.21054	4.6
241.19359	4.8
259.20575	8.9
277.13977	2.2
277.21634	62.0
291.23169	18.9
309.24240	37.7
322.85590	1.9
344.18799	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01857	1.4
55.05518	6.1
56.96561	3.6
57.03426	1.8
67.05511	11.8
69.03410	1.3
69.07073	100.0
71.04999	48.9
71.55542	1.3
73.02901	3.4
79.05495	15.2
81.03427	2.5
81.07075	8.0
81.07455	1.4
83.04977	3.6
83.08620	3.0
89.06049	1.6
91.05479	4.9
93.07063	7.2
95.04962	4.8
95.08619	6.2
97.06535	28.6
97.10193	3.6
104.99271	2.1
105.07030	5.9
107.04951	1.6
107.08627	7.2
107.09238	1.4
109.10138	1.5
115.06813	2.2
115.07578	34.5
117.07019	3.5
119.08605	1.9
123.08031	1.6
125.09705	1.8
129.48251	1.4
131.08618	1.8
133.10103	2.7
134.10422	1.2
145.10138	2.2
177.05489	5.3
189.11153	2.2
229.06187	1.4
275.20093	4.1
278.95959	1.3
340.58124	1.5
344.18582	7.2
344.22763	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01872	7.0
55.05515	56.4
56.96571	16.6
57.03436	20.2
65.03944	2.7
67.05507	37.9
68.36339	3.0
68.80193	3.1
69.03431	13.9
69.07079	15.3
71.04978	4.7
72.17141	3.1
79.05077	6.0
79.05502	85.7
81.03432	20.6
81.07069	27.1
83.04986	7.5
83.08625	34.7
85.10024	3.0
86.06065	7.4
91.05481	30.5
93.07056	100.0
95.04984	13.0
95.08611	39.7
97.06549	17.8
97.10183	68.4
97.26530	3.0
98.97571	8.1
99.67712	3.2
105.07025	12.2
107.08604	19.3
109.10168	10.9
116.10733	10.4
119.08585	9.0
121.10156	49.2
123.08078	30.2
125.09640	47.9
133.10143	5.9
135.08043	7.8
137.09578	7.3
139.11159	3.8
141.09087	20.7
143.00224	3.5
145.02867	5.3
145.10172	5.3
147.04472	3.8
147.11716	3.7
149.09523	3.9
153.09102	6.4
157.10159	4.1
161.01317	3.1
170.99615	3.1
171.10139	8.8
171.11635	3.9
175.14851	3.2
189.11246	78.1
189.12975	4.8
219.34834	2.9
221.15369	24.8
223.13342	16.8
239.16472	3.6
246.16043	5.9
255.17514	3.3
267.09192	4.6
273.18610	10.0
291.19553	21.1
302.59052	4.6
309.20618	27.4
344.18582	9.2
344.24539	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11794	2.1
55.01853	4.4
55.05508	6.8
57.03435	11.2
57.19218	1.8
67.05180	2.3
67.05512	25.8
69.03407	2.2
69.06731	2.8
69.07071	34.2
70.01870	7.3
71.04990	13.8
73.02898	5.6
79.05503	26.0
81.03437	11.6
81.07056	23.5
83.04999	4.3
83.08604	6.0
91.05489	18.6
93.07062	19.1
95.04964	18.0
95.08606	15.5
97.06537	100.0
97.07162	4.9
97.10194	2.8
99.08092	5.4
105.07037	13.5
107.04939	4.7
107.08596	15.5
109.06524	7.5
109.10129	5.9
111.08138	2.9
115.07570	31.2
117.07024	7.1
119.08583	10.8
121.06522	3.6
121.10127	4.5
123.08066	3.0
129.06998	3.5
131.08533	10.6
133.10126	8.7
135.08037	4.0
135.11684	4.8
137.09683	3.1
143.08585	2.5
145.10124	6.2
147.08058	2.6
147.11696	3.7
149.09547	2.9
149.13275	5.0
151.11185	6.3
157.10165	4.8
159.11670	5.9
161.09656	4.2
168.84529	2.4
173.13261	2.8
177.12747	7.3
181.12129	3.5
185.13139	3.1
187.11220	2.4
195.11699	1.9
195.13818	4.5
223.13379	2.3
243.13918	2.5
273.18506	6.7
291.19528	10.4
309.20490	4.6
337.28452	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	344.1494
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
53.03926	0.2
54.19518	0.2
55.01868	0.3
55.05522	0.2
56.96580	0.2
58.67010	0.2
63.02380	0.4
65.03943	0.4
67.05499	0.4
69.07066	0.6
69.32821	2.0
70.53760	0.2
73.19976	0.2
73.67571	0.2
81.07053	0.4
82.12161	0.2
86.58461	0.2
89.03918	5.0
91.05488	7.8
95.04965	1.4
95.08630	0.6
97.05196	0.2
97.06551	0.4
98.97569	0.5
102.97837	0.2
103.05482	0.3
107.08609	0.2
115.05721	0.2
116.80199	0.2
117.03386	20.7
119.04945	4.3
122.90123	0.2
134.03644	1.1
135.04433	1.0
136.05193	0.6
137.05988	0.4
145.02849	49.9
146.03220	0.4
149.05989	7.2
151.07545	7.4
158.06030	0.4
162.03049	0.3
177.05473	100.0
178.05771	0.9
186.05467	1.6
194.08173	0.2
252.11317	0.3
270.12524	0.7
271.08249	0.4
289.09601	0.3
302.15063	0.3
321.11951	0.3
344.14960	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	344.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22898	1.5
55.01854	1.6
57.03454	1.7
59.05008	45.6
61.02929	2.7
69.03448	8.3
70.06599	5.9
71.05005	2.8
71.52319	2.4
72.08184	3.5
74.06089	1.6
77.06056	3.1
81.03420	3.9
84.04523	2.4
84.08151	3.2
85.02918	31.1
86.09724	5.6
89.06041	15.0
91.03947	2.0
91.05512	5.4
95.04968	1.8
97.02887	9.7
98.97588	4.1
103.07600	56.4
107.06098	3.9
109.02920	3.1
111.05504	1.7
113.64706	1.7
116.07117	4.0
116.98714	1.8
117.03348	1.5
119.04948	11.4
121.02852	1.7
121.08669	1.8
127.03166	2.4
127.03951	5.3
129.10300	2.4
133.08607	6.1
134.04637	3.4
145.02827	2.0
145.04997	4.5
147.04425	93.8
164.07111	3.3
165.05493	48.4
165.11249	100.0
169.04350	2.8
177.05481	5.2
177.57565	2.1
180.08862	1.8
182.04991	44.0
241.10188	5.0
300.17334	7.6
344.10193	17.8
344.13678	4.7
344.18155	2.1
345.15115	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01866	12.7
55.05514	64.4
56.96567	27.9
57.03439	28.5
65.76984	4.0
67.05504	76.9
69.03418	16.8
69.07074	61.5
70.06592	5.7
70.78600	14.3
71.04978	18.0
79.05500	100.0
81.03420	43.9
81.07059	64.8
81.77903	4.4
83.04967	24.3
83.08620	37.3
85.02902	6.5
85.06540	9.4
88.07610	5.1
91.05479	51.7
93.06493	7.6
93.07047	87.8
95.04962	44.2
95.08612	49.0
97.02934	5.4
97.06525	69.9
97.10165	53.6
98.97585	10.8
99.04417	6.0
99.08088	12.6
105.04501	5.8
105.07024	36.1
107.04953	12.5
107.08589	41.1
109.06519	25.9
109.10187	22.8
111.08070	11.9
113.05997	15.3
115.07579	14.8
117.07027	15.3
119.08585	33.4
121.06491	9.4
121.10159	36.1
123.08092	22.6
125.09668	42.7
129.07004	11.5
131.08536	20.5
133.06505	5.4
133.10132	16.7
135.04321	6.1
135.08055	18.7
135.11664	9.9
137.09601	6.2
145.10135	16.3
147.08037	12.8
147.11719	6.5
149.09625	11.6
149.13245	11.8
151.11143	5.2
154.12241	7.9
159.11646	16.1
161.09535	8.4
161.13264	7.0
163.03940	25.5
163.11198	5.7
164.04285	14.1
169.10191	4.8
171.10187	6.5
171.11580	5.9
173.13228	6.4
175.11191	6.2
177.12747	12.2
189.11224	53.7
193.12291	7.7
195.13831	6.7
205.12250	7.9
211.13220	9.2
221.15375	9.6
223.13290	37.2
237.00662	9.2
238.01172	6.0
241.08345	4.9
249.57982	4.7
267.08997	13.6
273.18491	15.0
291.19635	49.1
308.22202	7.3
309.20547	5.8
320.14108	5.9
326.23398	9.2
344.18503	13.9
344.24585	7.1
345.20319	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.84186	0.4
61.02919	2.0
69.03432	3.8
70.06590	0.9
70.82531	0.8
70.82864	0.6
71.05003	0.6
72.08130	0.5
73.02908	0.5
81.03406	1.1
85.02908	16.9
86.09722	0.8
87.04518	0.4
89.06030	0.5
91.03954	0.8
91.05489	3.6
95.04961	0.5
97.02899	4.0
98.97583	0.6
99.04475	1.0
100.78024	0.4
109.02885	1.2
110.97562	0.4
116.07107	1.2
116.98692	0.4
119.04944	17.2
123.04451	1.8
127.03931	3.1
145.04971	4.3
147.04416	100.0
148.04761	0.9
163.06015	0.5
165.05482	59.7
180.08708	1.9
182.08128	0.8
201.12357	0.4
203.48431	0.4
210.25201	0.4
226.22752	0.4
309.09546	0.4
344.13461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83204	0.6
57.03436	0.9
61.02922	1.5
69.03432	3.6
70.06590	1.6
71.24041	1.0
72.08161	0.6
73.02924	0.8
73.55465	0.5
77.11636	0.5
81.03419	1.4
82.50063	0.5
85.02912	17.8
86.09691	1.4
91.03949	1.2
91.05470	3.7
97.02916	3.4
105.87484	0.5
109.02837	1.2
115.34804	0.5
116.07097	2.4
119.04952	15.0
123.04426	1.6
127.03938	2.7
145.04948	3.5
147.04417	100.0
148.04742	1.0
164.11423	0.5
164.54234	0.5
165.05482	51.8
166.05809	0.5
177.05341	0.6
180.08656	2.0
182.08240	1.1
201.12326	0.7
308.79257	0.6
309.09793	0.8
344.13690	1.7
363.61127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1026
Annotation	Hyrtiosulawesine
Peak:m/z	Relative Intensity
53.03938	0.6
56.96545	0.4
57.03463	0.6
59.05007	3.9
60.08149	0.3
61.02924	1.2
69.03437	2.7
70.06601	2.1
70.74113	0.6
70.74454	0.6
71.04980	0.5
72.08156	0.6
73.02925	0.4
81.03425	1.6
84.08104	0.5
85.02908	8.1
86.09708	1.2
87.04488	0.4
89.06049	0.8
91.03967	0.4
91.05480	0.9
97.02915	2.2
98.97616	0.5
99.04470	0.5
103.07594	3.6
107.06098	0.5
109.02871	0.6
109.05121	0.5
110.06080	0.4
111.05544	0.4
116.07108	1.8
119.04946	3.9
123.04420	0.4
125.01685	0.4
127.03924	1.3
129.10310	0.4
130.06468	0.7
132.08055	0.3
133.08641	0.3
134.04623	8.2
140.02786	0.4
145.04980	1.1
147.04422	22.6
151.03911	0.5
152.05696	1.1
152.07004	0.5
161.66339	0.3
163.03920	0.9
165.02353	2.6
165.05486	10.8
165.11243	7.1
167.02605	0.7
169.04265	0.5
177.05482	0.6
180.08720	0.4
182.04971	100.0
183.05165	0.4
218.08667	0.3
231.09888	0.6
241.10127	1.0
290.79340	0.3
296.51440	0.4
300.17377	1.8
344.10233	35.7
345.10294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01842	6.8
55.05523	34.5
55.06784	5.6
65.48359	5.9
66.86877	4.9
67.05502	46.1
69.03429	9.5
69.07053	24.5
69.69600	5.4
70.05569	16.2
71.04991	7.4
79.05499	36.1
81.03432	12.4
81.07047	34.9
83.04950	7.1
83.08611	11.3
85.06538	8.5
91.05492	34.7
93.07054	68.8
94.07826	15.4
95.04973	100.0
95.08614	79.0
97.06528	5.7
98.21459	5.9
105.07034	86.6
107.08591	53.3
109.06532	26.4
109.10146	24.7
111.04433	7.2
117.07004	19.5
119.08562	20.9
121.06503	18.3
121.10107	22.9
123.08083	24.3
129.07025	7.2
130.07813	8.2
133.10109	17.5
135.08032	15.7
135.11694	20.0
137.09602	16.5
143.08545	8.8
145.10143	37.7
147.11688	13.2
151.07515	8.1
157.10036	11.4
163.11172	18.1
165.12753	32.7
171.11743	5.7
181.12231	16.0
191.14134	5.6
193.15775	6.0
198.05423	5.6
242.42708	5.0
343.22549	15.0
343.37659	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.80088	1.3
53.03943	3.7
55.01865	4.6
55.05506	15.2
57.03433	7.5
57.07066	6.8
59.04985	4.6
65.03938	2.4
67.05507	19.9
69.03435	8.4
69.07066	6.0
70.98012	3.2
71.05000	15.6
79.05497	21.6
81.03421	3.9
81.07063	20.9
83.04971	4.7
83.08601	1.8
85.06558	3.4
89.98016	1.6
90.16747	1.7
91.05479	26.7
93.07048	55.1
95.04969	47.7
95.08613	66.6
97.06539	12.8
103.05437	3.0
105.04530	1.5
105.07034	63.7
107.04949	2.2
107.08592	43.2
108.90898	2.1
109.06532	12.7
109.10155	3.6
115.05446	5.2
117.07018	26.2
119.08586	22.4
121.06508	15.0
121.10153	14.0
123.08074	19.9
125.06009	2.6
125.09651	2.2
128.06227	2.6
129.07005	3.6
130.07816	13.5
130.74879	1.3
131.08549	7.7
133.06473	4.7
133.10168	11.7
134.75484	1.5
135.08047	20.1
135.11702	12.9
137.05933	1.7
137.09616	3.6
142.07779	2.4
143.08559	9.3
144.64688	1.6
145.10130	63.1
146.77570	1.4
147.08066	12.1
147.11667	3.7
149.09616	4.2
151.07541	36.6
153.09096	4.5
155.08568	3.4
156.09299	2.2
157.10135	7.8
159.08112	2.5
159.11737	7.9
161.09596	7.3
161.13272	4.3
163.11191	52.8
165.09106	12.7
169.10153	2.9
171.11705	3.5
173.09578	3.6
173.13223	2.3
175.11224	4.0
175.14825	2.0
177.09114	5.1
179.07005	5.4
179.10699	1.9
181.12358	2.4
182.10869	1.8
183.11519	2.7
185.13225	3.3
187.11197	4.4
189.09235	2.0
189.12772	9.8
191.10683	2.2
191.14349	3.4
193.12213	1.9
195.08078	1.5
195.11708	2.0
197.13179	1.9
199.11147	1.7
200.92603	1.5
201.12688	1.8
203.14279	7.0
207.13811	6.8
209.13342	2.4
209.15402	4.2
215.14224	1.9
217.12328	2.3
221.13449	1.3
221.15364	28.9
225.16589	2.0
227.14352	1.6
233.15335	4.1
241.16011	1.9
243.13747	2.5
263.16382	5.8
269.15506	2.9
276.20319	2.2
286.19156	2.5
287.19885	2.4
302.09189	1.6
325.21585	7.9
343.18750	30.7
343.22684	100.0
344.22830	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.76671	1.6
53.03930	4.7
54.93740	1.5
55.01885	7.8
55.05516	18.0
57.03423	7.0
57.07075	7.1
58.26957	1.6
59.04994	4.8
67.05509	25.4
69.03432	10.9
69.07056	3.9
70.04525	7.0
71.05001	16.9
78.85834	1.5
79.05080	1.7
79.05503	21.4
81.03430	2.5
81.07065	24.7
83.04990	4.5
83.08620	3.3
85.06522	4.0
91.05488	31.3
93.07051	62.0
95.04983	44.9
95.08613	67.2
97.06535	17.6
98.21204	3.8
99.32014	1.6
101.23685	2.1
103.05460	3.6
105.07038	72.5
107.04960	4.7
107.07890	2.9
107.08605	46.1
109.06534	12.4
109.10154	6.3
111.08082	2.1
115.05466	4.3
117.07026	27.7
119.06024	1.8
119.08598	31.2
119.09467	2.3
121.06519	14.7
121.10162	16.7
123.08088	22.6
128.06238	3.0
129.07002	7.2
130.07811	10.2
131.08575	8.9
133.06508	5.0
133.10132	14.7
135.08075	21.3
135.11693	12.3
137.06009	3.0
137.09653	4.3
141.06961	2.1
142.07758	4.2
143.08589	11.6
145.10138	71.2
147.08049	12.2
147.11670	5.5
149.09607	5.4
151.07562	39.5
153.09123	4.1
155.08556	3.1
156.09323	3.4
157.10139	10.2
159.08046	4.0
159.11697	10.9
161.09612	8.9
161.13261	4.9
163.07579	3.0
163.11191	55.3
165.09105	14.4
169.10139	3.5
170.10915	1.8
171.11716	8.0
173.09636	4.1
173.13289	4.6
175.11189	6.3
175.14883	1.9
177.09135	5.7
179.07086	3.4
181.10226	2.1
181.12260	4.0
181.46156	1.7
182.10951	2.4
183.11719	3.2
185.09679	2.1
185.13301	3.3
187.11226	6.3
187.14742	2.6
189.12749	7.8
191.14317	3.2
195.11665	2.9
197.11679	1.9
197.13354	3.6
201.12750	2.7
203.14325	8.9
207.10127	1.8
207.13832	5.9
209.13448	2.4
209.15379	4.4
215.14363	4.5
217.12349	4.1
221.15387	32.2
223.14861	1.8
225.12798	2.3
233.15477	4.7
241.15810	2.4
245.15176	1.8
259.16748	2.5
263.16479	7.7
269.15265	3.9
285.18307	2.3
287.20026	2.1
325.21600	10.9
343.22705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	4.6
55.01849	3.5
55.05505	12.2
57.03428	7.0
57.07061	4.5
59.04996	4.8
64.02284	2.4
67.05507	21.8
69.03404	7.7
69.07062	8.0
70.15827	5.5
70.16219	4.8
71.04993	17.7
74.12888	2.7
79.05494	19.9
81.03410	3.0
81.07046	20.9
83.04966	6.0
83.08607	5.0
91.05479	24.5
93.07042	58.0
95.04967	45.6
95.08607	59.3
96.59727	2.5
97.06539	11.9
105.07032	60.9
107.04959	3.5
107.08600	42.0
109.06556	17.4
109.10173	7.3
114.84445	2.4
115.05453	3.4
117.07024	23.9
119.08587	24.8
121.06522	12.2
121.10125	12.3
122.07368	4.7
123.08073	23.2
128.06212	3.1
129.07001	6.3
130.07774	12.5
131.08556	10.8
133.06477	7.0
133.10106	15.7
135.08046	20.8
135.11710	11.6
137.09575	5.8
142.07748	3.5
143.08572	11.3
145.10121	73.9
147.08038	9.7
147.11726	3.6
151.07541	35.9
153.09093	5.0
155.08514	4.2
155.10706	3.8
157.10136	10.8
159.08041	3.2
159.11685	6.2
160.58984	2.4
161.09662	11.7
161.13242	3.1
163.11174	54.6
165.09152	13.1
165.75957	2.7
169.10156	8.2
170.10886	2.9
171.11703	8.5
173.09703	3.6
173.13213	2.7
175.11174	3.2
185.13187	3.0
187.11194	5.7
189.09122	3.0
189.12711	10.1
203.14354	9.3
204.68207	2.7
207.11845	3.3
207.13786	5.2
209.13283	3.6
209.15251	3.0
221.15359	27.9
227.14195	3.3
228.83495	2.8
263.16418	9.3
286.19260	4.3
287.16342	4.4
287.19989	3.3
325.21704	14.9
343.22678	100.0
344.23132	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03947	6.8
55.01862	8.4
55.05515	20.1
56.96553	12.2
57.03446	7.1
57.07066	10.0
67.05511	36.9
69.03449	9.8
69.07060	12.9
71.04985	20.6
76.90085	4.1
79.05495	27.3
81.03410	6.7
81.07073	39.8
83.04969	7.0
83.08606	6.3
85.06544	4.7
89.25292	4.3
91.05458	34.6
93.06497	4.9
93.07056	83.6
95.04976	59.0
95.08604	91.2
97.06528	25.6
97.10165	4.5
103.05473	5.3
105.07033	77.3
107.04925	4.1
107.08598	51.2
109.06519	21.4
109.10198	9.8
115.05451	5.8
117.07032	27.1
119.08604	37.5
121.06492	14.4
121.10138	32.0
123.08075	21.2
129.06967	7.4
130.07777	14.7
131.08569	17.5
133.06473	8.6
133.10164	21.1
135.08069	24.8
135.11693	16.9
137.05988	8.5
142.07840	4.6
143.08537	20.7
144.91435	4.9
145.09035	3.2
145.10136	87.3
147.08037	15.5
147.11772	6.3
149.09639	9.7
151.07562	34.1
155.08546	4.9
157.10138	14.0
159.07944	6.1
159.11638	12.5
163.11182	53.6
165.09119	17.4
171.03270	4.8
171.11736	9.5
173.09653	6.6
173.13321	8.1
175.11154	7.5
177.09198	6.4
181.10133	7.0
183.11664	4.5
187.11234	9.4
189.12714	11.1
191.14308	6.3
197.13214	7.5
203.14313	15.3
209.13304	5.7
211.14854	4.7
221.15387	43.7
221.17392	6.9
223.14877	4.9
233.15356	5.2
235.60260	4.1
240.23193	7.9
241.15845	5.2
243.14014	4.5
251.14098	5.2
259.08371	5.7
325.21677	14.5
343.18896	5.4
343.22656	100.0
343.26926	5.5
344.18365	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	343.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97378	3.2
53.03939	4.0
55.01878	37.5
55.05514	91.8
56.96573	15.6
57.03426	14.4
67.05510	64.4
69.03428	19.8
69.07067	47.9
69.33774	26.1
70.06615	4.2
71.04998	16.4
73.02907	4.7
79.05499	42.5
81.03427	20.3
81.07066	59.4
82.44514	3.5
83.04983	25.0
83.08626	56.5
85.02895	8.0
85.06543	10.4
86.06041	3.6
91.05478	28.6
93.07042	38.6
95.04981	35.5
95.08613	25.3
97.02893	7.8
97.06545	35.0
97.10170	100.0
98.21663	3.8
98.97610	6.8
101.06013	4.4
105.07030	20.8
107.04942	5.7
107.08593	45.6
109.06490	16.0
109.10176	34.2
111.04443	9.5
111.08080	13.6
113.06063	4.4
115.07581	23.3
116.10736	7.4
117.06993	8.3
118.06548	4.2
119.08573	16.4
121.06495	22.0
121.10165	7.6
123.08070	5.6
123.11731	6.3
124.99112	5.0
125.08781	6.0
125.09635	75.6
125.10558	3.8
127.07543	5.8
129.07022	5.5
131.08607	11.2
133.10127	11.4
135.08069	20.3
135.11670	7.3
137.09631	85.4
139.07547	31.1
143.00116	4.5
143.08530	5.7
143.10646	7.0
145.06531	4.0
145.10135	9.0
147.08136	4.9
147.11649	5.7
149.09625	4.6
153.09041	5.4
153.12807	4.0
155.10648	12.0
157.10136	7.0
159.08040	38.8
159.11662	5.9
161.09656	3.2
163.03926	6.7
163.07503	5.5
163.11185	10.3
171.11632	6.5
173.09612	6.3
175.11099	3.2
177.09094	3.4
181.12189	4.0
185.09579	4.0
187.11140	4.4
187.14737	3.8
188.07137	3.5
189.11224	72.4
189.12811	4.6
191.10716	5.6
193.12285	10.0
201.09116	3.5
211.13264	25.4
214.18004	6.8
215.08301	3.9
215.18326	14.2
219.13843	4.0
224.07086	3.9
226.14420	3.7
227.12683	4.1
235.16949	19.9
237.14822	11.8
244.15291	5.6
245.15817	12.2
253.15860	13.8
253.18167	3.7
271.16971	21.1
284.08221	3.6
289.14993	6.3
289.17990	71.2
293.08603	8.1
302.09018	6.7
307.19034	45.6
311.09467	5.5
325.14557	4.3
325.20044	26.4
343.15472	9.5
343.22763	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61980	0.6
55.05509	0.9
55.45263	0.7
67.05511	1.4
67.71577	0.7
69.07088	0.8
69.26372	6.9
79.05499	2.2
81.07068	2.7
83.25501	0.8
91.05486	1.8
93.07043	3.3
95.04978	1.2
95.08608	2.6
97.06553	0.8
105.07043	2.0
107.04978	1.5
107.08607	2.3
108.77602	0.8
109.10192	1.3
116.88355	0.7
117.07031	1.2
119.08575	1.7
133.06471	0.7
133.10052	1.0
135.08054	1.4
135.11710	1.0
145.10114	1.4
145.68230	0.8
147.08092	0.8
153.37747	0.7
153.91016	0.8
160.41852	0.7
161.44821	0.7
163.11205	0.9
173.11990	0.8
187.82051	0.7
273.18542	1.8
275.02945	0.7
305.21402	0.9
311.16040	1.7
343.18826	100.0
344.18945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01868	4.0
55.05514	3.3
56.96568	1.8
57.03430	4.9
57.07060	1.5
60.04536	1.2
61.02931	5.5
67.05498	3.9
67.12681	1.1
69.03427	13.8
69.07063	4.5
69.37242	4.1
69.37667	4.8
70.06583	7.6
71.04987	4.2
71.06971	1.0
72.08154	2.3
73.02899	3.7
79.05487	5.7
81.03426	7.1
81.07062	10.9
82.31332	1.0
83.04993	5.6
83.08636	1.2
84.04478	1.0
84.08120	3.2
85.02909	31.9
85.06538	1.6
86.09705	11.0
87.04443	1.2
87.10057	2.5
91.03969	2.2
91.05489	5.0
93.07044	10.1
95.04974	19.6
95.08615	4.8
97.02884	10.7
97.06522	4.7
98.20789	2.4
98.97595	2.7
99.04468	2.9
105.07042	8.2
107.04960	2.2
107.08589	11.2
109.02885	4.2
109.06529	5.2
109.10149	1.7
110.07147	1.4
111.04470	1.4
115.05458	1.2
116.06340	1.3
116.07114	4.5
117.07026	3.5
119.01945	1.9
119.08566	6.4
120.05216	1.2
121.06492	5.3
121.10147	11.3
123.04454	7.6
123.08090	3.2
125.06001	13.9
127.03927	7.2
130.07831	2.0
133.06506	1.2
133.10126	2.5
135.08107	1.6
135.11699	6.6
137.05966	3.3
137.09634	1.3
138.05499	2.4
143.08540	1.3
145.04951	8.8
145.10123	20.9
146.06009	1.9
147.08064	1.6
149.04555	1.1
149.05968	2.0
151.07562	1.8
151.11206	1.9
163.03955	1.4
163.11180	91.0
165.09198	1.2
165.12799	4.1
167.06979	1.3
173.09660	1.7
175.11221	1.7
179.10588	1.2
181.05031	2.7
181.08459	1.5
181.12236	18.0
183.10155	1.3
185.04196	1.1
197.11659	1.8
199.08154	6.1
205.12294	1.2
217.09184	3.0
223.13440	1.9
235.07599	1.2
241.09291	2.4
252.59598	3.8
260.86975	1.1
261.60364	1.2
284.10004	1.4
307.15341	2.0
308.10095	2.5
324.61777	3.1
325.11630	2.0
326.11185	4.2
333.62128	2.5
343.13632	100.0
343.17334	4.1
344.13922	1.4
349.48871	1.2
350.90411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50704	1.0
53.03944	3.0
55.01871	2.2
55.05509	3.3
57.03432	3.7
57.07074	2.0
59.04993	2.1
61.02928	5.4
67.05491	4.6
69.03433	19.7
69.07060	3.3
70.06597	5.7
71.04993	3.4
71.53445	1.2
72.08164	1.9
73.02923	2.9
75.17805	0.9
78.16578	1.0
79.05502	7.9
81.03430	9.3
81.07069	10.3
83.04976	5.7
83.08617	1.3
84.04504	1.4
84.08154	2.6
85.02908	40.2
86.09711	8.3
87.04465	3.3
87.10052	1.8
91.03944	2.3
91.05488	5.8
93.07048	11.5
95.04971	21.0
95.08604	7.2
96.49747	1.1
97.02895	14.1
97.06524	3.9
98.97602	2.0
99.04456	3.1
105.07045	9.5
107.05009	1.3
107.08598	13.4
108.84000	1.0
109.02884	4.7
109.06531	4.2
109.10162	3.5
116.07105	3.4
117.07021	2.5
119.08582	4.6
121.06519	4.5
121.10158	25.4
123.04436	1.6
123.08082	5.2
125.06009	15.2
125.91252	1.3
127.03927	10.0
130.07776	3.1
133.06485	2.9
133.10117	1.8
135.08047	2.0
135.11700	11.7
137.05991	3.4
137.09590	2.1
138.05525	2.6
139.05859	1.8
145.04974	11.2
145.10135	22.0
147.08055	2.0
147.11690	2.5
151.07475	1.1
151.11125	1.2
155.08168	1.8
161.05945	1.1
161.09622	2.3
163.11195	100.0
164.11542	1.5
165.09138	2.0
165.12749	5.2
175.11159	1.6
181.12233	38.2
183.10229	1.4
187.11136	1.2
197.12947	6.2
199.46786	1.2
205.12210	1.9
234.06429	1.3
236.91742	1.2
265.08344	1.3
294.08450	1.5
308.09924	2.0
311.07236	2.6
326.11017	5.4
343.09970	1.5
343.13599	7.8
343.17389	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05505	0.7
56.96566	0.8
57.03437	1.9
57.07071	0.6
61.02929	2.4
67.05510	1.3
69.03427	5.6
69.07078	0.9
70.06594	3.0
71.04980	0.9
71.43636	0.6
71.55978	0.4
72.08165	1.6
73.02927	1.6
79.05507	2.4
81.03419	2.9
81.07058	4.3
83.04993	2.3
84.04498	1.0
84.08138	0.8
85.02910	11.6
86.09715	3.4
87.10085	0.7
88.83781	0.5
91.03974	0.7
91.05478	2.6
93.07060	4.2
95.04974	7.4
95.08619	1.3
97.02889	4.3
97.06528	1.2
98.97609	2.5
101.00886	1.2
105.07056	3.1
107.04959	0.7
107.08589	3.6
109.02851	1.1
109.06543	1.1
112.99122	0.7
116.07115	1.0
117.06966	0.7
117.64419	0.6
119.01933	1.5
119.08595	2.0
121.06512	1.3
121.10159	3.7
123.04510	0.7
123.08123	0.9
125.06023	3.2
127.03944	3.0
129.06944	0.6
129.10283	0.6
130.07788	0.6
131.00232	1.1
133.10141	1.6
135.11687	2.9
137.06012	1.9
137.09607	0.6
145.04990	3.3
145.06201	0.5
145.10127	6.1
149.01183	1.1
149.05922	0.6
151.11221	0.7
156.03676	1.0
163.11188	33.8
165.12852	1.3
175.11269	0.6
181.04968	0.8
181.07144	1.8
181.12227	6.4
183.10295	0.6
187.11214	0.6
187.14987	0.6
199.08200	5.9
199.18028	0.9
217.09213	1.8
223.08162	1.1
223.13426	0.6
241.09322	2.1
252.09395	1.1
252.59566	4.0
253.09604	1.1
324.61664	4.5
325.11661	1.6
326.11121	1.5
333.62161	2.6
334.12036	0.7
343.13657	100.0
344.13797	0.8
355.00531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70391	0.8
56.96569	29.6
58.76751	0.7
67.05516	2.2
67.72314	0.7
69.07054	4.2
69.79319	3.4
71.95260	1.5
79.05488	1.1
79.36693	0.7
79.70859	0.7
81.07059	1.9
84.96017	0.9
91.05482	1.0
93.07047	1.8
95.04981	0.8
95.08605	1.2
97.06535	2.3
97.10165	1.0
98.20724	0.9
98.97567	1.0
105.07051	2.3
115.33344	0.7
119.08587	1.5
131.08606	0.8
133.10129	1.0
139.04030	0.8
142.41525	0.7
145.10080	1.6
159.11836	1.2
162.58398	0.7
164.01485	1.0
166.22383	0.7
173.02391	0.8
176.98749	1.1
182.02470	1.0
189.99362	1.5
192.98128	2.5
194.16743	0.8
195.11746	0.8
201.92812	0.8
203.97256	1.3
204.98161	1.6
205.98813	1.0
208.00461	2.9
210.99066	4.0
217.98921	1.3
218.99713	1.1
220.97568	2.7
221.01070	1.2
221.98357	1.9
222.99203	5.1
223.02776	2.6
223.05980	1.7
223.99966	1.6
229.00221	2.3
230.96169	1.1
233.98502	0.9
235.99985	5.0
237.00706	2.2
238.01506	3.7
238.98643	6.7
240.23244	0.9
245.98293	3.7
248.97089	4.2
251.99454	2.1
254.01038	3.3
256.99734	1.6
259.09586	1.3
263.99408	10.4
266.98129	17.3
270.00357	0.9
271.12167	1.5
279.01779	30.7
282.00479	98.4
284.99185	12.1
287.01089	1.0
289.99698	1.6
297.02841	100.0
298.03146	1.2
300.01547	80.2
301.01996	1.3
305.02103	12.7
315.03885	14.4
320.04453	23.0
321.04446	1.0
323.03223	7.2
328.03430	0.8
338.05493	1.9
343.22702	4.0
361.07034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	32.7
55.05514	39.5
57.03438	6.4
57.07063	8.4
60.34855	4.3
67.05177	7.9
67.05508	79.6
69.03438	6.9
69.07073	21.0
76.92702	4.0
79.05138	4.8
79.05509	50.0
81.03403	10.7
81.07062	90.4
83.04984	21.2
83.08614	17.7
85.06567	11.0
91.05483	58.2
93.07047	47.4
93.40185	4.2
95.04973	26.4
95.08616	43.5
97.06532	10.6
97.10173	12.4
97.22804	4.0
97.51583	3.8
99.08092	6.8
105.07040	43.1
105.62981	4.5
107.04944	15.4
107.07937	7.8
107.08601	48.6
109.06535	10.1
109.10162	58.0
113.09637	5.4
117.07048	10.8
119.08597	26.8
121.06496	6.7
121.10129	22.7
123.08073	12.6
123.11701	14.9
125.09643	42.7
131.08611	23.1
133.06520	6.9
133.10147	100.0
135.08073	10.7
135.11668	10.4
137.09621	19.2
139.11200	4.9
145.10136	16.3
147.11714	15.1
149.09567	13.1
149.13310	6.6
151.11194	81.5
159.11758	4.6
163.11191	22.5
165.09114	6.3
169.12198	5.6
169.52364	4.4
173.13280	7.5
175.11194	10.2
177.12704	7.3
179.10748	11.9
183.13821	25.6
191.10594	6.2
193.12222	6.9
195.13837	8.8
227.67456	4.9
229.19540	8.0
230.24791	6.4
257.19034	12.3
275.20056	56.9
293.21182	29.5
307.22815	38.2
342.37268	44.5
344.96735	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46611	1.9
53.03934	3.1
55.01863	4.8
55.05513	47.4
67.05508	20.9
69.03424	4.0
69.07072	21.4
69.18706	22.7
76.05678	2.0
79.05491	31.6
81.07061	23.5
83.04968	4.2
83.08624	30.8
91.05508	12.0
93.07054	17.1
95.08601	8.1
96.48519	2.3
97.06546	4.0
97.10173	70.9
98.21490	3.8
105.07021	13.5
107.04944	3.5
107.08595	75.5
109.06486	3.2
109.10173	4.4
111.08067	3.3
117.06991	3.5
119.08561	7.6
121.10114	8.0
123.11742	2.9
124.11211	2.7
125.09636	78.1
126.19199	2.1
131.08553	5.2
133.10123	5.3
135.08070	14.7
145.10114	6.1
147.11679	14.3
149.09619	4.3
153.09081	13.9
157.12238	6.3
159.11699	5.3
165.12720	4.3
173.13200	3.2
181.12303	3.5
197.15414	3.1
203.12793	100.0
208.21886	2.3
213.14857	2.4
213.29892	2.3
229.19417	3.2
239.17984	4.5
257.19122	13.2
275.20071	52.1
289.21622	19.7
307.22644	18.8
343.18985	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.05513	30.8
57.03419	6.4
67.05507	89.7
67.74131	4.8
69.03418	7.6
69.07059	35.4
69.84265	20.1
71.05006	5.4
79.05068	6.6
79.05495	71.5
81.03412	7.7
81.07059	85.9
83.04969	13.2
83.08613	18.3
85.06532	8.4
85.42341	4.0
91.05479	68.4
93.07045	100.0
95.04984	25.9
95.08607	57.7
97.06540	20.6
97.10152	15.4
98.20685	5.6
105.07025	44.9
107.08601	52.9
109.06556	8.8
109.10154	38.7
111.08101	5.7
117.07013	18.5
119.08577	50.6
121.06486	8.9
121.10162	47.0
123.08092	5.2
123.11713	5.6
125.09589	11.3
131.03430	4.1
131.08559	23.2
133.10150	49.6
133.35307	4.2
135.08076	12.5
135.11679	20.8
137.09613	7.2
139.11078	6.0
143.08578	6.7
145.10133	20.0
147.11681	18.7
149.09624	15.6
149.13264	12.9
155.10718	4.7
157.10159	9.2
159.11693	16.8
161.13254	5.3
163.11186	8.5
165.12711	5.2
171.11717	6.0
173.11739	12.0
173.13266	12.2
177.12750	6.6
181.12265	12.5
189.16533	6.6
195.13815	9.1
199.14876	9.1
203.12906	5.6
217.15895	6.3
239.17839	5.4
257.19034	11.0
275.20029	42.5
289.21860	10.2
333.76212	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.01873	20.2
55.05509	17.7
57.03445	15.3
57.07064	3.9
61.02928	2.9
62.11186	2.8
63.33022	3.1
65.03941	3.8
67.05508	78.2
69.03427	7.6
69.07066	29.3
69.27559	21.3
69.27961	3.7
71.05006	16.1
71.08640	2.9
77.21585	2.7
77.45413	2.7
79.05490	38.5
81.03415	7.3
81.07056	65.1
83.04995	15.2
83.08616	6.3
85.06552	11.0
87.58485	3.1
91.04913	3.0
91.05486	60.1
93.07053	45.3
95.04971	22.3
95.08612	18.9
97.02908	3.2
97.06537	94.5
98.20780	4.6
98.97592	4.2
99.04459	4.5
105.07029	68.6
107.04963	7.4
107.08592	47.5
107.09302	3.7
108.08969	3.3
109.06525	17.9
109.10159	96.9
111.08080	17.2
113.06030	12.1
116.98614	3.1
117.07021	8.9
119.08598	14.9
119.09346	3.0
121.06522	4.0
121.10148	5.6
123.08072	7.3
123.11703	12.3
125.09644	3.8
127.07543	5.9
129.07013	4.4
131.08583	12.8
133.06516	4.5
133.10138	100.0
135.08075	6.3
135.11763	3.3
137.06026	6.1
137.09590	4.6
143.08598	2.8
145.10143	6.1
147.11722	7.2
149.09636	6.4
151.11166	48.0
157.10175	3.9
159.11775	3.6
161.09627	9.2
161.89671	2.8
163.57179	3.2
169.12291	10.6
171.11690	2.8
173.09579	2.6
173.13255	3.4
177.09117	2.8
187.14790	3.9
202.09792	2.6
215.12688	3.9
221.11752	4.7
233.15381	3.2
240.23242	48.8
243.17403	3.1
255.09488	4.1
261.18448	7.5
271.16898	5.7
289.17917	24.1
307.19098	15.3
312.09171	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01867	6.3
55.05512	38.6
57.03428	12.8
67.05512	82.1
67.05856	4.6
69.07068	39.0
69.19675	43.3
71.04984	11.9
79.05494	100.0
81.03405	10.4
81.07056	67.5
83.04965	10.6
83.08611	21.8
91.05479	52.3
92.32521	4.1
93.07053	90.5
95.04967	32.5
95.08611	45.4
97.06524	13.0
97.10159	29.3
105.07035	35.0
107.08584	48.0
109.06521	10.7
109.10162	41.9
111.04478	4.2
111.08092	6.0
117.07006	14.4
119.08562	36.5
119.24514	4.9
121.06501	6.0
121.10149	47.4
123.07988	6.7
123.11705	6.9
125.09641	29.9
129.07016	5.7
131.08556	16.9
133.10120	24.9
135.08049	13.4
135.11693	11.0
137.09605	16.9
139.11137	8.0
139.56390	4.8
143.08575	5.1
145.10124	18.2
147.11697	16.9
147.23557	4.4
153.09132	6.6
155.10686	14.9
157.10124	8.7
159.11717	10.8
161.13271	10.7
172.82454	4.6
173.11795	25.3
173.13118	9.4
183.11761	6.5
185.13232	5.5
187.13297	7.3
188.86916	4.1
193.12195	4.7
203.12784	18.0
225.14896	5.4
236.90344	4.2
237.14865	12.1
242.19292	5.0
257.19073	7.9
275.20087	55.7
276.20459	4.6
289.21619	10.7
293.21127	25.0
307.22678	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.9
55.05304	1.3
55.05515	13.3
56.69929	1.2
56.96563	4.3
57.03420	5.2
59.04984	2.8
62.06090	1.6
65.97385	1.3
67.05507	12.9
69.03431	2.9
69.07056	5.4
70.37736	1.3
71.04985	3.8
71.08633	6.8
71.54813	2.2
72.08138	1.9
79.05493	11.4
81.03407	5.8
81.07056	13.4
83.01331	6.2
83.04984	15.2
83.08617	7.9
83.69157	1.1
85.02904	4.5
85.06515	1.3
86.06061	7.6
91.05478	6.6
93.07043	14.4
95.04950	5.6
95.08594	6.1
95.43948	1.3
96.08106	4.6
97.02878	3.2
97.06533	7.8
97.10158	4.3
98.06037	2.1
98.09668	4.7
98.97578	3.8
99.08098	4.5
101.06012	3.5
105.07004	4.3
107.04930	3.6
107.08598	8.0
109.02908	1.4
109.06504	4.3
109.10167	3.3
111.04434	15.0
111.08103	2.6
116.10733	20.0
117.07028	4.0
119.08575	9.2
121.10143	6.5
122.09685	1.7
123.08097	3.4
125.09666	3.3
129.05493	1.4
129.06963	1.7
131.08557	4.0
133.06525	1.6
133.10117	2.4
135.08084	3.6
135.11674	9.1
137.06010	1.7
142.08640	4.1
143.00142	2.2
143.10704	4.2
145.06496	2.1
145.10109	10.0
147.08038	1.6
149.09602	2.6
153.12718	4.6
154.15874	2.2
159.08081	2.2
163.07487	1.7
163.11188	21.2
166.15950	2.2
173.08179	2.0
173.09550	3.4
178.15996	1.4
181.12257	11.0
182.15469	1.8
189.11198	3.4
191.10686	9.6
196.16975	7.7
208.13327	2.3
209.11745	29.9
214.18022	100.0
225.05870	1.2
226.14430	9.8
227.12784	41.3
227.14943	2.5
244.15465	32.4
263.16498	1.9
271.16885	1.5
289.17969	12.7
306.17749	1.7
307.19031	19.5
342.22552	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.96521	0.8
57.03441	6.0
59.05012	0.7
61.02926	1.7
69.03432	2.7
69.76913	3.7
71.04979	2.1
71.08636	5.6
79.05502	1.7
81.03414	1.5
81.07059	11.7
83.04959	1.2
85.02913	12.9
85.06548	2.9
91.03931	0.8
97.02905	2.5
99.08098	21.3
101.58050	0.7
103.07589	1.0
109.05799	1.4
109.06523	18.2
109.95753	0.6
114.34911	0.6
117.09135	100.0
127.03900	1.9
127.07556	43.2
145.04999	1.7
145.08577	1.3
163.08295	1.5
163.09663	31.5
179.03386	1.0
179.50003	0.7
180.03731	1.4
292.47876	0.7
343.13544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01873	0.7
55.05518	6.4
56.96569	0.8
57.03428	0.7
57.07080	11.0
60.29564	0.5
61.02920	1.9
67.05486	0.6
68.88425	0.5
69.03431	3.1
70.06593	7.0
70.08206	1.2
70.08592	1.0
71.04987	0.6
72.08161	0.5
73.02908	0.6
81.03416	1.3
83.08612	3.3
85.02914	13.8
86.09706	1.9
87.04434	0.6
89.06039	30.0
91.03963	1.1
91.05488	0.6
92.12279	0.5
93.07079	0.5
94.94079	0.5
95.08600	0.6
97.02894	3.4
98.97593	0.8
99.04437	0.7
101.09054	0.9
101.09668	13.1
104.23437	0.5
107.07079	32.9
108.99203	0.5
109.02867	1.3
122.92960	0.5
127.03941	2.3
137.05948	1.4
138.06273	0.5
143.05357	0.6
145.04961	2.4
145.12245	0.5
151.07591	0.7
153.09337	0.5
163.03877	0.5
163.13309	100.0
171.06653	0.8
180.10219	0.8
183.14911	1.4
211.14427	1.3
252.09328	2.2
292.02756	0.6
333.11951	1.5
333.84915	0.6
342.13669	0.8
342.19482	0.5
343.13187	0.6
343.17334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34465	4.1
53.03939	8.1
55.01868	15.8
55.05272	6.0
55.05516	67.2
56.96555	13.1
57.03434	18.3
60.69761	3.7
60.71998	3.9
61.02930	5.2
65.03925	8.0
67.05509	58.9
69.03426	14.0
69.07069	51.4
69.90697	21.2
71.04996	13.8
71.44330	4.6
73.50996	4.5
78.29904	3.9
79.05493	55.7
81.03419	22.8
81.07069	42.6
83.04973	14.3
83.08626	36.5
84.06078	4.5
85.02908	12.9
86.09712	5.3
91.05479	37.6
93.07060	26.1
95.01332	16.8
95.04990	45.7
95.08593	14.4
97.02887	8.1
97.06561	28.7
97.10167	50.4
98.97571	11.7
105.07027	30.6
107.04976	22.9
107.08627	27.0
109.02870	15.1
109.06523	22.4
109.10133	11.3
111.04446	6.0
111.08047	9.5
113.06033	4.5
115.05481	4.2
115.07548	10.5
116.40179	4.9
117.07037	10.7
119.08588	28.3
121.02872	37.8
121.06491	26.0
121.10161	7.1
123.04441	9.6
123.08060	10.0
125.09646	46.3
126.87726	4.4
129.07031	9.9
131.08595	11.4
131.32254	4.0
133.06451	7.9
133.10092	8.8
135.08063	21.3
137.05965	7.4
137.09567	8.7
143.08589	6.6
145.10107	6.4
147.08038	8.1
147.11703	30.7
157.10190	8.5
159.08055	100.0
161.09656	6.7
163.07515	8.8
163.11259	5.7
169.10088	6.0
171.10220	7.8
171.11710	3.9
173.09554	6.0
175.11191	14.9
177.09108	7.2
181.96669	4.3
185.09665	10.9
187.11249	4.7
189.11235	47.6
193.12291	17.7
199.55598	4.5
211.11154	9.2
211.13130	8.5
219.13792	9.8
221.11731	43.3
233.15370	8.5
235.60583	4.2
237.14862	15.7
239.12796	18.1
247.13332	18.7
253.15919	6.6
261.18393	5.5
267.09113	5.4
271.16919	17.5
285.10205	10.3
289.18015	43.5
307.19034	8.9
342.13531	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	342.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39346	0.7
53.03946	0.8
55.05510	3.1
57.03158	0.9
57.03440	16.6
59.04970	0.8
60.67795	0.8
61.02924	1.3
69.03439	2.2
69.81735	3.2
70.06583	1.6
71.04986	2.5
71.08638	5.0
72.08157	0.7
73.02905	0.9
79.05502	2.2
80.80150	0.7
81.03407	1.5
81.07061	14.3
83.05002	0.9
83.08617	2.0
85.02911	8.6
85.06565	1.0
86.09794	0.9
88.86905	0.8
91.19827	0.7
97.02900	2.6
99.07497	1.2
99.08102	14.9
109.06520	17.7
117.09142	100.0
127.03909	1.4
127.07563	50.7
139.05048	1.2
145.08588	3.3
151.03894	4.4
162.05539	2.9
163.09669	32.7
179.03333	0.9
180.03749	1.5
195.11359	2.5
324.11383	0.9
324.15628	1.2
335.22531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3204
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03939	1.1
55.05508	9.4
57.07080	6.6
65.03936	1.0
67.05502	16.0
69.07068	33.4
70.12315	1.8
70.12708	1.9
71.08626	2.8
79.05489	12.5
81.07056	100.0
83.08620	15.4
84.50790	1.0
85.10167	1.1
88.18162	0.9
91.05483	8.3
92.12025	1.0
93.07043	25.3
95.05019	1.3
95.08608	71.1
95.96489	0.8
97.10186	8.9
105.07036	23.8
107.08595	33.7
108.63037	0.8
109.10159	45.8
111.11742	4.5
119.08579	19.4
121.10146	38.3
123.11713	28.6
125.13306	1.6
131.08563	2.9
133.10129	15.3
135.11691	22.1
137.13258	19.5
145.10098	4.2
147.11694	16.3
149.13257	26.3
149.14389	1.9
151.14832	4.0
151.85425	1.0
159.11725	6.7
161.13263	20.5
163.14841	20.8
165.16414	1.9
165.19844	1.0
173.13278	9.1
175.14856	9.6
177.16393	11.9
179.17909	1.4
187.14874	2.9
189.16388	16.3
191.17958	12.1
201.16391	3.3
203.17958	18.9
205.19530	4.3
215.18034	6.9
217.19518	23.9
219.21112	1.8
229.19493	4.2
231.21083	9.0
243.21083	1.9
245.22624	4.5
257.22617	5.3
259.24341	2.8
271.24136	5.2
285.25858	5.2
292.20865	1.0
299.27411	1.1
341.32053	88.8
342.32336	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2325
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
53.03959	6.8
55.01880	35.4
55.05516	57.8
56.96577	7.2
57.03431	17.1
57.07090	5.0
60.91502	3.7
65.03957	3.3
67.05514	55.7
69.03442	10.4
69.07070	38.1
71.04988	17.9
72.88189	3.6
75.79181	3.3
75.79610	3.4
77.56508	3.5
79.05500	50.8
81.03426	18.2
81.06589	7.4
81.07062	100.0
83.04972	22.5
83.08622	46.3
85.02910	4.7
85.06527	9.9
91.05489	33.3
93.07043	31.6
95.04982	54.8
95.08620	46.5
97.06534	37.8
97.10179	27.6
98.20715	7.3
99.04443	4.6
99.08097	41.4
105.07033	42.8
107.04952	35.5
107.08608	36.4
109.06525	15.5
109.10172	24.2
111.04455	10.5
111.08095	10.6
115.05505	3.5
115.07584	3.9
117.07043	15.9
119.07124	4.5
119.08588	23.0
121.06506	12.8
121.10139	17.3
123.08046	22.4
123.11737	4.3
125.09655	40.0
129.07010	9.0
130.07776	7.8
131.04918	5.2
131.08559	21.2
133.06505	8.7
133.10164	12.5
135.08078	12.9
135.11687	8.3
137.05965	11.0
137.09605	13.1
139.11182	10.1
141.06999	8.6
141.08003	4.1
141.09061	5.6
142.07809	7.7
143.08556	16.6
144.09357	5.5
145.06490	5.7
145.10127	54.8
147.08052	8.4
147.11707	11.2
149.05984	8.0
149.09616	8.9
151.07475	5.1
151.11208	4.1
153.09146	8.4
153.12801	6.7
155.08586	7.8
155.10657	9.1
157.10176	20.0
159.08049	9.0
159.11737	17.0
161.09700	6.2
163.11169	22.5
165.09122	5.9
169.10153	12.6
171.11699	8.8
172.08763	4.6
173.09653	18.8
173.11717	3.7
175.11256	4.3
177.12805	4.2
179.08643	3.6
181.10069	6.8
185.13272	7.6
187.07573	5.2
187.11211	6.0
189.11259	9.7
191.10614	5.1
193.04987	5.0
193.12314	11.3
197.09547	5.6
199.11227	6.9
200.01152	3.6
201.12637	3.9
203.12801	16.7
221.15477	10.1
225.14742	3.7
227.07132	3.9
237.16646	4.0
239.14355	7.5
255.17354	6.8
263.20074	6.2
267.12259	22.2
269.12698	4.0
273.03317	4.1
273.18539	23.8
291.10184	5.4
291.19565	72.6
305.21185	21.8
323.18759	5.4
323.22226	63.9
341.21201	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2321
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
53.03952	7.3
55.01874	2.7
55.05507	7.5
56.96566	2.4
57.03426	5.3
57.07066	1.8
60.33344	1.3
61.02922	3.1
67.05508	28.3
69.03421	5.6
69.07056	4.3
70.11568	6.9
71.04980	3.3
73.02931	1.4
77.03915	1.7
79.05491	13.4
81.03425	34.3
81.07063	16.4
82.04186	2.0
83.04991	8.8
83.08611	5.0
91.05487	26.1
93.06486	2.8
93.07046	38.7
95.04983	15.2
95.08615	16.4
97.02882	2.9
97.06528	3.6
97.10191	2.4
98.97594	3.1
105.04539	1.6
105.07040	15.6
107.04945	8.8
107.08605	10.6
109.06520	5.7
109.10155	22.4
110.07353	1.9
111.08094	3.6
117.06995	4.0
119.04926	1.5
119.08587	9.7
121.06510	17.5
121.10156	4.9
123.08041	2.7
125.09565	3.2
129.07019	1.6
131.08583	4.0
133.06502	4.6
133.10138	23.5
135.08060	29.0
135.11659	1.9
137.05948	4.9
137.09621	15.6
138.06848	2.9
143.08588	2.8
145.10135	3.6
147.08060	4.2
149.09593	4.9
151.07581	2.8
151.11195	14.4
157.10165	2.6
159.11745	3.0
161.09633	8.5
169.12213	1.8
171.11708	2.3
173.11780	8.8
175.07481	1.8
175.11157	3.2
179.10709	6.3
203.12708	1.4
215.12895	4.7
229.14256	1.7
231.13802	1.9
249.14893	4.0
267.15976	5.5
269.12366	6.5
270.08847	2.1
273.18427	6.8
283.08536	1.9
289.18155	2.1
291.19611	17.6
299.65707	1.5
323.19800	1.5
341.14017	2.8
341.21674	3.1
341.28574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
55.01883	15.3
55.05516	46.0
55.21437	2.8
56.96568	6.3
57.03437	10.1
65.03961	4.6
67.05508	70.5
68.99785	4.2
69.03434	71.1
69.06729	4.3
69.07072	50.7
71.04997	21.1
71.54448	3.1
79.05064	1.8
79.05495	60.0
81.03423	71.0
81.07059	98.6
83.04987	37.1
83.08619	25.2
85.02917	24.0
85.06561	13.4
87.04484	3.3
91.05483	64.7
93.07045	67.6
95.01329	3.2
95.04986	23.4
95.08613	100.0
97.02904	25.3
97.06536	37.9
97.10172	13.3
98.97581	4.8
99.04466	16.0
99.08083	7.6
103.03958	3.9
103.05457	6.8
105.04520	3.0
105.07035	55.8
107.04951	10.5
107.08588	34.3
107.80742	2.6
109.02879	20.2
109.06525	27.0
109.10168	29.0
109.58686	2.7
111.04441	10.0
111.08079	41.9
113.09634	4.1
115.03902	4.2
116.98569	3.3
117.07013	19.0
119.04926	3.4
119.08589	42.9
121.06506	29.6
121.10145	22.2
123.04354	6.3
123.08066	23.6
123.11699	4.2
125.05989	6.1
125.09655	13.0
127.03922	33.4
129.06999	12.8
131.04947	7.2
131.08566	19.5
132.53094	2.7
133.06496	11.8
133.10139	25.8
135.08041	21.6
135.11705	14.6
137.05972	22.4
137.09610	8.7
137.13228	6.7
139.07552	10.6
139.11182	8.3
141.06976	3.5
143.08572	12.2
145.06509	6.0
145.10153	15.3
147.08090	6.4
147.11700	9.3
149.06015	10.9
149.09628	9.1
149.13234	7.8
151.07547	32.4
151.11127	3.3
153.01988	2.8
153.09122	5.0
155.07021	3.2
155.08539	2.8
157.10138	6.7
159.08063	9.0
159.11745	12.1
161.05963	4.2
161.09653	9.5
161.13261	39.8
163.07530	5.0
163.11194	4.1
165.09122	3.7
166.40862	2.8
167.07158	5.5
169.08588	6.9
169.10059	6.2
171.10298	3.0
171.11668	3.4
173.09612	4.1
173.11765	12.1
173.13274	9.6
175.07578	6.2
177.09154	4.2
177.12717	6.7
179.03413	2.9
179.10638	5.6
179.14278	18.7
183.11734	4.0
185.09589	3.1
185.13155	4.1
189.09216	5.6
189.11217	11.2
189.12657	4.6
191.14285	5.5
195.13864	3.9
197.13377	3.6
203.14420	2.8
207.13863	10.2
209.13461	2.6
209.15346	12.0
213.12778	3.3
219.13841	11.2
221.15352	3.9
225.14845	8.8
227.12656	30.2
229.14328	4.7
233.15450	6.6
237.14806	18.4
241.15997	3.8
245.15405	3.8
249.14899	6.8
251.16472	10.6
259.17035	7.8
263.16452	11.9
267.09235	3.8
268.09454	13.6
269.15427	8.2
275.16422	5.2
277.17990	10.9
285.10120	4.2
286.10547	10.9
287.16412	34.3
293.17523	4.8
300.12186	4.0
305.17471	59.0
318.13016	6.7
323.15051	4.8
323.18491	86.4
341.06671	15.6
341.15756	4.9
341.19519	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10514	2.5
53.03944	10.8
53.55029	2.3
55.01868	8.2
55.05518	30.9
56.96566	5.6
57.03432	7.6
57.07073	4.2
59.98975	2.4
61.87189	2.4
65.03941	5.0
67.05508	59.1
68.99751	2.7
69.03082	5.0
69.03432	62.4
69.07073	30.1
71.01361	3.2
71.05007	21.9
79.05494	55.2
81.03421	64.2
81.07060	93.9
81.07531	5.7
83.04990	36.1
83.08631	19.0
85.02892	20.8
85.06538	11.5
87.04461	3.4
91.05482	57.2
93.07048	54.2
95.01331	3.1
95.04983	21.4
95.08609	94.2
97.02894	25.7
97.06529	28.9
97.10173	10.2
98.97598	9.7
99.04459	15.5
99.08089	6.2
100.11279	4.3
103.05497	3.0
105.07038	52.4
105.21590	2.7
107.04969	12.8
107.08603	27.7
109.02869	17.5
109.06506	24.2
109.10169	21.9
110.97662	3.2
111.04459	8.4
111.08066	10.9
113.06010	3.2
113.09663	4.4
115.03934	3.2
117.05482	3.7
117.07028	18.0
119.07809	4.0
119.08589	45.1
121.06509	19.2
121.10154	18.2
123.04423	5.4
123.08064	15.5
123.11719	4.3
125.02410	3.2
125.06006	4.3
125.09628	5.7
127.03921	29.5
129.07019	11.8
131.08553	17.8
133.06508	13.5
133.10133	30.6
135.08072	16.1
135.11697	16.9
137.05991	20.5
137.09630	9.7
137.13243	4.1
139.07605	4.1
141.07045	4.3
143.00159	4.0
143.08533	12.9
145.06488	5.3
145.10135	11.4
147.08058	5.7
147.11688	10.4
149.06006	7.2
149.09596	5.2
149.13269	5.2
149.76094	2.5
151.07542	33.1
153.09186	4.4
155.08566	3.4
157.06493	2.8
157.10188	7.3
159.08102	7.1
159.11711	11.5
161.06020	5.4
161.09648	6.6
161.13268	38.1
163.07542	3.3
163.11095	5.0
163.14856	4.7
165.09158	3.0
167.07071	6.4
168.02518	2.7
169.08713	4.6
169.10147	2.7
169.12442	2.5
171.11694	5.8
173.09657	6.0
173.11771	6.8
173.13286	9.3
175.07574	5.5
175.11145	5.6
175.14926	5.4
177.12761	11.9
179.14331	18.7
181.10025	3.8
183.11707	3.2
185.09619	3.8
185.13188	4.3
187.07596	4.5
189.09129	3.8
189.11206	4.2
189.12836	5.8
191.14330	5.0
195.13812	6.3
197.13240	3.5
201.12740	4.7
203.14368	4.3
207.13815	8.4
209.15408	11.5
213.12762	3.2
215.14285	4.1
219.13911	7.7
221.15234	4.2
223.16833	4.2
225.14795	9.4
227.07019	3.3
231.13715	3.3
237.14822	23.2
245.15248	4.5
249.15001	3.7
249.18578	3.5
251.16432	13.1
259.16992	4.4
263.16440	10.4
269.13431	4.0
271.09769	2.8
275.16437	7.9
277.18060	8.8
281.17538	3.8
283.15311	3.3
287.16406	18.2
291.10205	5.2
293.17426	6.0
305.17450	50.2
305.44925	2.8
323.14960	4.8
323.18536	100.0
341.06448	10.2
341.10080	3.2
341.15604	30.9
341.19644	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	22.7
53.31766	2.2
55.01874	5.5
55.05527	12.2
56.96563	9.0
57.03436	20.6
59.04988	2.8
67.05509	33.1
69.03431	5.9
69.07063	10.7
70.83303	4.9
71.05009	4.0
79.05500	24.6
81.03421	100.0
81.07053	24.8
82.04193	8.6
83.04976	12.7
83.08630	8.1
85.02901	6.2
85.06541	2.9
91.05478	28.8
93.07048	41.7
95.04967	17.2
95.08609	27.8
97.02882	8.8
97.06543	11.0
97.10148	3.1
98.97594	4.0
100.33434	2.5
105.07039	21.1
107.04953	16.8
107.08588	15.7
109.02813	3.1
109.06522	8.6
109.10135	19.1
110.07295	9.5
111.08102	7.2
113.05978	3.2
116.98629	3.1
117.07029	9.6
117.20915	2.4
119.08607	13.6
121.06465	12.4
121.10138	14.3
123.04412	4.9
123.08068	6.5
125.06056	2.4
125.09597	4.7
129.07045	3.8
131.04932	2.7
131.08594	10.4
133.06509	9.1
133.10156	15.0
135.08028	19.5
135.11713	5.1
137.05960	10.2
137.09625	11.7
138.06735	6.7
143.08569	7.6
145.06503	2.7
145.10123	7.8
147.08101	7.1
147.11662	2.9
149.09595	9.7
151.07500	5.9
151.11201	7.1
155.07234	2.4
155.08485	3.6
155.55113	2.9
157.10088	3.2
159.11665	4.0
161.09581	5.3
163.11234	3.6
169.10188	3.6
173.09631	3.8
173.11754	6.6
173.13197	2.6
175.11211	3.3
176.80963	2.5
177.09106	3.6
179.10681	5.3
185.13332	2.7
187.11305	3.5
189.09180	4.5
189.11232	2.8
193.12178	2.5
195.11688	2.4
197.11728	2.5
213.12666	4.5
229.14447	4.1
231.13808	8.4
249.14891	13.3
251.11188	3.5
255.08948	3.1
267.15939	11.4
269.12372	11.7
270.12589	3.6
271.09341	2.3
273.18683	2.8
283.08627	7.1
289.18018	7.2
291.09958	2.9
299.11609	4.2
301.09625	3.7
323.12714	3.1
341.13593	3.1
341.21161	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.3
55.01868	8.6
55.05303	3.0
55.05520	31.4
56.96560	16.5
57.03437	12.5
57.07075	4.9
59.04985	3.4
65.03918	4.3
67.05515	64.9
69.03436	57.2
69.07072	36.5
71.01347	4.1
71.04996	21.7
73.02924	5.1
79.05505	49.6
81.02987	5.8
81.03422	61.8
81.07063	100.0
83.04992	33.2
83.08629	24.4
85.02918	25.1
85.06537	14.3
91.05482	53.3
93.07051	64.8
95.01358	3.4
95.04979	24.3
95.08614	82.6
97.02906	27.0
97.06531	45.8
97.10184	12.6
98.97584	12.2
99.04473	13.0
99.08108	4.7
103.05524	3.6
105.07041	61.7
107.04951	12.5
107.08595	26.0
109.02858	16.0
109.06522	24.8
109.10147	21.7
111.04426	6.8
111.08073	8.6
113.09640	3.5
115.03951	3.8
115.05481	4.0
116.07995	3.0
116.98642	5.5
117.07018	15.7
119.08598	46.8
121.06541	17.3
121.10149	22.8
123.04429	7.1
123.08069	23.2
123.11736	3.9
125.05997	3.4
125.09638	6.1
127.03950	21.4
128.98593	3.6
129.07008	9.8
131.04984	3.1
131.08565	22.6
133.06508	12.2
133.10143	26.7
135.08064	15.1
135.11726	14.8
137.06006	18.2
137.09616	7.7
137.13240	6.4
139.07628	5.4
139.11150	3.0
143.08572	10.7
145.06595	5.5
145.09073	3.9
145.10066	15.1
147.08061	11.5
147.11710	8.5
149.05963	7.4
149.09619	7.0
149.13306	9.4
151.07549	31.5
153.24391	3.5
155.08517	4.2
157.10126	9.6
159.08037	5.2
159.11690	8.5
160.11211	8.5
161.01317	5.1
161.06071	4.1
161.09619	6.0
161.13255	39.8
163.07571	4.3
163.11234	5.0
165.05528	4.4
165.92375	3.3
171.11716	4.2
173.11870	6.1
173.13290	9.6
175.07640	7.1
175.11241	5.0
177.09108	4.8
177.12723	10.1
179.14337	16.3
183.08124	3.2
187.07578	6.1
189.00551	3.6
189.09116	7.1
189.11217	6.2
189.12767	4.7
193.12218	3.8
195.13806	4.7
197.13426	4.1
201.12730	3.6
207.13890	7.0
209.15311	7.7
213.12892	4.1
217.08904	3.3
219.13799	6.8
221.15344	4.6
225.14868	10.5
227.12785	42.0
235.17113	4.0
237.14854	15.6
241.15947	3.9
251.16417	9.5
251.52477	5.7
255.06502	4.1
259.16919	7.4
263.16425	12.1
267.09006	4.0
269.15347	4.2
275.16495	5.0
277.17966	8.1
287.05295	4.3
287.16461	13.6
291.10101	5.8
293.17480	4.4
303.05017	4.7
305.17490	47.4
309.06320	13.0
323.12830	5.9
323.18542	72.0
341.10284	7.5
341.13992	5.8
341.19910	32.8
362.49652	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01878	18.6
55.05517	19.8
57.03203	2.0
57.03445	27.5
57.07087	2.2
58.43407	1.7
59.04993	7.6
61.02927	13.3
67.05494	8.2
69.03437	88.5
69.07052	8.0
70.06600	2.4
71.01360	1.7
71.04977	3.4
72.08145	3.6
72.39087	1.9
73.02903	3.5
79.05502	10.8
81.03410	4.2
81.07072	17.3
83.04989	94.2
83.08628	31.8
84.08134	2.9
85.02911	55.7
85.06532	2.6
86.09698	6.6
87.04478	40.7
91.03962	12.1
91.05450	14.2
93.06489	2.7
93.07053	42.0
95.04974	11.4
95.08611	15.8
97.02900	42.0
97.06535	13.2
97.10166	2.6
98.20794	4.1
99.08157	1.9
103.05479	1.8
105.07024	16.8
107.04940	6.0
107.08601	20.3
109.02843	2.2
109.06525	8.2
109.10170	10.8
111.04449	5.4
111.08078	25.7
113.06004	2.0
113.09665	4.8
115.03194	2.5
115.03937	31.2
119.04971	2.8
119.08575	6.9
120.08118	3.5
121.06515	7.4
121.10152	67.5
123.08080	20.3
123.11668	2.8
125.05985	5.9
125.09653	12.8
127.03929	2.8
127.11170	10.4
129.06949	2.0
131.00174	2.0
131.08530	4.4
133.02852	8.2
133.04976	17.9
133.06483	4.0
133.10155	4.8
135.04393	2.1
135.08015	2.4
135.11722	1.6
137.05980	30.7
139.11198	53.9
145.10138	4.5
147.11670	2.8
149.09631	20.9
151.07565	3.0
151.11172	15.5
153.09093	2.8
155.07085	3.1
155.10680	7.3
157.06073	2.3
157.10150	2.3
159.11662	2.7
161.05954	6.0
161.13086	2.1
163.03940	2.6
163.11154	3.8
167.07034	3.5
167.10664	14.9
167.14348	14.5
169.12254	33.5
171.10133	2.9
171.11493	2.2
173.08104	4.8
173.09511	2.7
174.06734	2.1
175.04214	1.7
175.06027	3.6
175.07524	6.4
175.11194	2.3
177.05424	2.0
177.09172	3.1
181.12254	100.0
185.13164	2.4
187.07561	5.7
191.14272	4.6
193.12126	2.6
203.08566	2.1
207.13760	2.5
209.15370	44.4
223.05995	4.7
233.15338	12.2
248.08382	2.2
251.08661	11.7
263.16507	2.1
270.08929	2.8
271.09775	3.2
279.10162	2.2
287.16437	4.2
291.10062	6.4
305.17365	9.3
309.11206	3.2
311.12714	4.3
323.12653	3.7
323.18573	8.3
332.11316	9.4
341.15591	7.3
341.19632	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01878	18.6
55.05517	19.8
57.03203	2.0
57.03445	27.5
57.07087	2.2
58.43407	1.7
59.04993	7.6
61.02927	13.3
67.05494	8.2
69.03437	88.5
69.07052	8.0
70.06600	2.4
71.01360	1.7
71.04977	3.4
72.08145	3.6
72.39087	1.9
73.02903	3.5
79.05502	10.8
81.03410	4.2
81.07072	17.3
83.04989	94.2
83.08628	31.8
84.08134	2.9
85.02911	55.7
85.06532	2.6
86.09698	6.6
87.04478	40.7
91.03962	12.1
91.05450	14.2
93.06489	2.7
93.07053	42.0
95.04974	11.4
95.08611	15.8
97.02900	42.0
97.06535	13.2
97.10166	2.6
98.20794	4.1
99.08157	1.9
103.05479	1.8
105.07024	16.8
107.04940	6.0
107.08601	20.3
109.02843	2.2
109.06525	8.2
109.10170	10.8
111.04449	5.4
111.08078	25.7
113.06004	2.0
113.09665	4.8
115.03194	2.5
115.03937	31.2
119.04971	2.8
119.08575	6.9
120.08118	3.5
121.06515	7.4
121.10152	67.5
123.08080	20.3
123.11668	2.8
125.05985	5.9
125.09653	12.8
127.03929	2.8
127.11170	10.4
129.06949	2.0
131.00174	2.0
131.08530	4.4
133.02852	8.2
133.04976	17.9
133.06483	4.0
133.10155	4.8
135.04393	2.1
135.08015	2.4
135.11722	1.6
137.05980	30.7
139.11198	53.9
145.10138	4.5
147.11670	2.8
149.09631	20.9
151.07565	3.0
151.11172	15.5
153.09093	2.8
155.07085	3.1
155.10680	7.3
157.06073	2.3
157.10150	2.3
159.11662	2.7
161.05954	6.0
161.13086	2.1
163.03940	2.6
163.11154	3.8
167.07034	3.5
167.10664	14.9
167.14348	14.5
169.12254	33.5
171.10133	2.9
171.11493	2.2
173.08104	4.8
173.09511	2.7
174.06734	2.1
175.04214	1.7
175.06027	3.6
175.07524	6.4
175.11194	2.3
177.05424	2.0
177.09172	3.1
181.12254	100.0
185.13164	2.4
187.07561	5.7
191.14272	4.6
193.12126	2.6
203.08566	2.1
207.13760	2.5
209.15370	44.4
223.05995	4.7
233.15338	12.2
248.08382	2.2
251.08661	11.7
263.16507	2.1
270.08929	2.8
271.09775	3.2
279.10162	2.2
287.16437	4.2
291.10062	6.4
305.17365	9.3
309.11206	3.2
311.12714	4.3
323.12653	3.7
323.18573	8.3
332.11316	9.4
341.15591	7.3
341.19632	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.86158	0.9
53.03945	2.0
57.03434	1.4
64.64509	1.0
67.05504	1.8
69.03431	3.7
69.07073	1.5
69.33465	1.3
69.33862	6.8
70.06587	2.8
71.01677	0.9
71.04990	5.0
79.05494	11.1
81.03410	1.2
81.07058	1.9
83.04991	2.6
84.04507	1.5
84.08141	1.4
85.02901	1.2
86.09696	5.0
91.05453	7.0
93.07041	16.5
94.04197	4.2
95.04970	2.4
97.02926	1.0
97.06547	1.0
103.05480	2.0
105.07019	5.2
107.04956	2.0
107.08591	6.0
109.06550	3.1
109.10217	1.3
110.07182	1.9
111.04469	1.3
115.05437	1.5
117.07001	2.4
119.04965	2.3
119.08601	1.3
121.06486	2.3
121.10150	16.2
122.03645	7.6
125.06062	1.4
126.30879	0.8
128.06215	3.0
129.07014	7.2
131.04932	3.3
131.08504	1.7
133.02859	5.7
133.06506	2.1
133.10170	1.4
135.04378	1.1
135.08180	1.0
137.05978	100.0
139.11133	1.5
143.04884	1.4
144.05733	2.8
145.06523	2.4
147.04475	2.1
147.08141	1.0
149.05984	3.2
149.09656	2.5
151.03893	2.7
151.07553	4.8
157.06499	4.4
160.05188	4.2
161.05962	6.1
163.07539	3.5
164.22803	1.0
165.05534	5.0
165.06773	1.0
167.10707	3.6
172.05215	5.0
174.06807	6.2
175.07547	18.1
176.08427	1.3
177.05469	4.5
177.09126	1.6
178.07866	1.1
179.03424	5.1
179.07039	3.3
181.12239	1.5
187.07552	38.1
188.08386	1.2
189.09137	13.1
190.07707	1.8
191.08559	2.5
193.10042	1.0
194.07237	1.2
196.05263	5.6
197.05983	2.8
199.07585	3.5
202.07832	2.5
203.08559	13.0
205.06544	3.2
205.08554	1.4
207.08105	1.9
208.08849	1.6
211.07527	13.9
212.04729	2.5
213.05476	2.8
217.08589	13.0
219.08017	10.4
220.08861	5.6
221.05972	1.2
221.09619	1.4
222.06819	1.0
225.05455	1.1
227.07022	22.0
227.27087	1.1
228.07803	2.3
230.07281	1.2
231.08032	14.2
232.08820	2.6
233.05998	3.5
233.09570	2.1
234.06618	1.6
235.07561	1.6
236.08316	2.9
237.09052	3.3
239.07047	12.7
240.07758	12.0
241.04970	1.9
241.08594	1.9
247.07593	6.9
248.08336	19.5
249.09070	2.6
250.06230	2.0
251.06992	1.7
251.10616	6.3
253.04990	1.2
253.08598	3.2
254.09521	1.7
255.06535	14.9
256.07346	8.0
259.07437	5.7
260.08386	2.1
261.05328	1.2
261.09195	2.9
262.06512	1.5
262.09833	2.2
263.07053	1.0
263.07520	1.2
263.10712	15.4
264.07889	4.3
265.08640	6.2
265.11105	1.1
268.07288	4.2
269.08170	3.0
270.08875	40.8
271.09647	35.6
276.07758	9.9
277.08594	6.5
279.10104	8.7
280.10898	1.8
281.08069	2.8
281.11545	2.1
283.09631	10.5
290.09445	1.2
291.10147	49.8
292.10840	3.0
293.08099	7.5
295.09741	1.1
296.10437	7.7
297.11227	3.0
305.11633	2.5
307.09647	2.8
308.10370	8.4
309.11230	2.3
311.12799	14.2
313.14264	1.5
323.12762	40.6
325.10748	2.9
341.13675	23.6
362.51715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.57235	1.0
52.65261	1.0
55.01866	1.1
55.05502	1.5
56.96558	1.3
60.74207	0.9
67.05497	1.8
69.03426	1.4
69.07076	1.3
71.04991	2.2
72.08160	1.0
73.06562	1.0
79.05478	2.0
81.07043	3.5
85.06522	1.2
89.06048	2.2
91.05482	3.6
93.03415	1.1
93.07075	1.4
94.04185	2.9
95.08640	1.7
103.05461	1.6
105.07043	5.9
109.06518	2.7
109.10142	2.1
115.05463	3.9
117.07020	1.3
119.08556	3.3
122.03665	7.2
123.11696	2.4
125.09624	2.1
128.06148	1.5
129.06998	3.5
130.06534	16.4
131.04916	2.1
131.08592	1.1
132.05698	1.4
133.02824	2.3
133.06453	3.6
135.11737	1.0
137.05980	100.0
139.11113	1.1
145.06496	2.0
147.04428	1.4
147.08020	2.8
149.06032	1.9
151.07553	2.8
157.06487	2.3
159.08087	1.8
160.05211	1.8
161.05981	9.2
162.06761	1.6
163.07500	2.2
165.05568	2.1
166.04994	2.5
172.05179	2.9
174.06760	2.2
175.07545	22.3
177.05461	2.3
177.09203	1.2
179.07072	1.3
184.05075	1.5
187.07552	20.9
189.07018	1.0
189.09171	4.7
190.07791	3.1
191.08574	6.2
196.05115	1.2
197.05939	1.6
199.07527	7.1
202.07782	4.4
203.08560	9.4
205.06551	1.3
207.08064	1.2
208.08868	1.9
211.07513	4.7
212.05458	2.7
213.05423	1.4
217.08533	4.9
218.07260	2.5
219.08055	13.5
220.08899	4.3
227.07011	5.1
231.08061	9.7
235.07581	1.5
236.08380	1.6
239.07001	2.7
240.07695	2.2
247.07584	6.2
248.08311	9.6
249.09059	2.3
251.10684	11.1
255.06554	6.5
256.07315	1.2
259.07541	3.6
260.08289	1.7
261.09259	1.1
263.10663	8.8
264.07764	1.5
265.08640	2.1
270.08878	14.5
271.09628	16.7
276.07764	5.0
277.08591	3.4
279.10129	12.4
280.10965	2.0
283.09610	3.9
291.10126	21.1
292.10815	4.1
293.08069	2.2
295.09961	1.2
295.13220	1.5
296.10419	2.7
297.11276	1.6
308.10449	2.8
309.11035	1.3
311.12799	14.4
323.12802	21.2
341.06683	2.6
341.13669	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	341.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82787	1.0
67.05496	2.1
68.39244	1.1
69.03421	2.1
69.38155	8.0
69.38563	1.9
73.02916	2.1
79.05481	4.0
81.03425	2.3
81.07082	1.3
85.02903	2.2
91.05469	8.8
93.07053	10.6
94.04173	2.9
95.04939	1.5
99.18049	1.1
103.05470	2.3
105.07019	5.2
107.04936	1.9
107.08572	1.6
109.06499	2.0
111.08035	1.3
115.05451	4.0
119.08580	5.4
121.06511	1.4
121.10152	19.0
122.03644	7.1
128.06207	2.5
129.07025	4.7
132.05701	4.1
133.06456	3.3
137.05989	100.0
143.01917	2.3
145.06494	2.0
147.04387	3.0
147.08037	6.9
149.06012	1.9
149.09631	5.0
150.02960	1.2
151.07530	2.2
155.01932	1.2
159.08037	1.8
160.05199	3.3
161.02998	2.3
161.04710	2.0
161.05959	10.6
167.10680	4.1
169.31824	1.2
175.07562	47.8
177.09114	5.1
185.03041	1.2
187.07610	6.8
189.09047	2.8
190.07802	2.5
191.07072	1.4
191.08542	6.6
193.12303	1.6
199.07501	3.4
202.07793	2.1
203.08511	3.8
207.08589	2.7
211.13283	2.8
217.08688	1.9
218.07292	3.2
219.08078	11.8
220.08727	1.4
231.08073	4.3
232.08853	1.8
235.09859	1.6
236.08186	1.6
241.65997	1.2
247.07542	3.9
248.08347	2.3
251.08304	1.7
251.10710	13.9
258.36737	1.2
259.07483	1.9
260.08344	1.2
264.07761	1.6
269.12378	2.2
272.14154	1.1
276.07596	1.3
279.10217	15.3
291.10150	6.2
300.56311	1.5
309.11252	1.9
311.12808	16.7
316.12531	5.2
323.12802	5.1
324.61633	1.9
341.13962	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	341.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43250	0.7
58.99870	1.1
62.19804	0.6
63.70993	0.6
65.41312	0.6
68.98293	1.8
69.72415	2.1
69.72813	1.6
70.99843	0.7
75.30188	0.6
81.03405	2.5
82.99824	1.7
85.01422	7.9
86.99312	0.9
89.00932	0.6
97.01396	1.9
98.21500	0.9
98.97560	1.5
101.00891	11.2
101.65952	0.6
102.01659	3.1
103.02451	10.8
109.02889	0.8
111.75723	0.6
113.00851	4.8
115.02435	6.8
116.98554	0.8
119.01933	6.3
121.01331	0.9
121.03479	2.3
125.00866	1.0
127.02437	9.4
129.03979	0.8
131.01923	6.1
133.03474	66.7
139.02412	6.8
141.03955	2.4
143.01947	4.1
145.03467	20.0
147.04996	0.9
149.00815	0.7
151.02469	1.0
151.04521	12.4
153.03932	1.9
155.01851	1.0
156.05029	1.2
157.03476	12.6
159.05048	2.7
161.01689	1.2
161.02957	11.7
163.04488	0.8
164.97015	2.1
165.97775	1.8
167.01900	13.3
169.03476	8.0
171.05042	19.0
175.04536	33.9
181.03391	0.8
182.98090	6.6
183.05000	1.6
183.98349	0.8
185.02962	21.7
187.04536	11.8
189.06102	7.6
195.98898	11.5
196.99591	1.3
199.04561	4.0
200.99023	0.9
201.06087	40.9
202.06261	0.9
203.03989	2.7
208.99615	1.2
211.04417	2.0
212.99205	0.8
213.06097	6.2
213.99911	2.7
214.96524	1.0
217.05597	14.6
219.02011	1.7
220.99693	2.7
223.01254	0.7
223.04572	1.0
227.00670	1.9
227.21448	0.7
227.97855	2.0
230.98090	7.6
231.00130	1.0
235.06696	0.8
238.96735	0.7
239.00728	10.4
241.05621	5.3
248.99121	11.1
253.02353	5.9
255.00224	0.9
256.97510	4.5
267.00223	18.1
268.00494	0.8
269.02011	1.0
276.92050	1.2
281.01782	44.5
281.97064	0.8
282.01859	1.1
285.01404	3.5
294.93207	2.2
296.98370	0.7
298.98633	6.2
305.01755	9.9
308.98480	0.7
323.02869	5.6
341.03879	100.0
342.04074	2.2
359.04919	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	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
58.97560	0.2
60.37551	0.2
61.02901	0.3
69.03416	0.4
70.80793	0.2
70.81143	0.4
77.03922	0.2
77.78951	0.2
85.02900	0.8
86.86169	0.2
89.03893	0.4
93.06973	0.2
95.04967	0.3
97.02869	0.2
105.03377	0.6
117.03400	0.3
120.48270	0.2
123.04429	10.3
133.02852	9.6
135.03658	0.2
135.04430	1.8
137.05969	0.3
151.03917	4.3
161.02368	0.2
167.76518	0.2
179.03398	100.0
180.03735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.8
55.05525	28.4
57.03431	11.0
57.07084	5.3
67.05505	57.3
69.03416	10.0
69.07064	16.3
70.13816	9.9
71.05007	3.5
77.03976	3.3
79.05496	38.9
81.03423	5.9
81.07062	80.0
83.04990	71.2
83.08611	7.2
85.06546	7.6
91.05486	37.3
93.07041	32.8
95.04944	9.9
95.08607	26.0
97.06526	6.4
99.04383	4.4
105.06503	4.0
105.07051	42.2
107.04939	14.1
107.08609	44.9
109.06515	7.7
109.10163	57.5
112.00338	4.0
117.07025	11.1
119.08591	12.6
121.06523	7.0
121.10165	5.2
123.08067	6.2
123.11728	21.9
129.07039	5.4
131.08560	14.7
133.06503	10.4
133.10143	100.0
135.08054	6.0
137.09592	3.8
143.08655	3.9
145.10074	6.4
149.09612	14.1
151.11194	83.4
151.13933	3.9
159.11626	5.3
161.09563	6.5
171.11678	5.0
177.09111	11.4
177.12849	4.1
179.10689	14.3
183.13834	31.5
201.12729	4.3
207.13843	3.9
211.13177	3.9
273.18445	22.8
273.21143	3.8
273.44873	3.4
280.11795	3.6
285.43295	3.2
291.19537	18.8
305.21106	30.2
340.29276	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	340.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01862	11.4
55.05519	22.6
57.03439	4.7
65.44057	3.3
67.05185	4.0
67.05509	68.1
69.03402	5.7
69.07064	12.1
69.42421	12.6
69.42855	11.5
70.41730	3.3
73.06538	4.1
79.05483	33.4
81.03407	12.6
81.07060	64.7
83.04981	62.2
83.08625	4.3
85.06539	8.1
91.05486	41.7
93.07041	38.3
95.04963	12.1
95.08612	57.3
97.10149	3.5
99.08101	3.6
105.07037	44.9
107.04939	9.9
107.08603	41.0
109.06509	7.2
109.09417	1.9
109.10157	58.6
117.06996	7.4
119.08587	9.7
121.10143	6.7
122.98491	4.6
123.08077	28.9
123.11701	19.7
125.09626	4.6
128.67015	3.4
129.06967	5.3
131.08536	8.4
133.06508	6.5
133.10139	100.0
135.08040	9.0
137.09497	5.2
143.08499	3.7
145.10063	5.4
149.09628	9.0
151.11179	85.7
159.11760	3.7
161.09622	7.5
161.79495	3.7
169.10120	3.9
171.17429	2.8
175.11197	6.7
177.09099	6.9
177.12561	3.0
179.10713	15.2
183.13818	31.3
255.17438	4.5
273.18488	16.1
291.19507	10.4
303.33994	3.3
305.21152	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	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01862	6.8
55.05507	2.1
57.03435	6.4
61.02920	6.7
62.39968	1.8
69.03433	31.7
70.69171	2.2
70.69507	3.8
71.04989	4.0
73.02914	5.8
81.03428	19.4
84.04520	4.2
85.02912	100.0
87.00838	46.9
92.15795	2.2
97.02907	29.0
99.04463	14.5
105.01875	89.3
109.02890	25.2
117.01862	3.6
127.03925	79.1
129.01860	2.7
130.05031	7.0
145.04974	41.1
145.25287	1.7
147.02914	3.0
159.01768	1.9
159.02870	11.0
159.46434	1.8
177.04015	2.1
177.05478	2.7
189.03908	4.3
203.80220	2.1
211.13278	3.8
213.04019	2.5
222.70506	1.7
231.05029	25.1
248.07973	1.7
249.06148	7.3
260.80035	2.2
306.28030	2.1
306.34705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01866	5.4
55.05514	2.4
56.96553	3.2
57.03418	5.1
57.07067	2.2
59.04999	2.8
60.04525	1.3
60.08155	1.5
61.02942	7.2
67.05476	2.3
68.99780	2.9
69.03432	42.8
69.50574	2.3
69.50983	7.8
70.06585	7.4
71.04981	5.1
72.08163	3.2
73.02902	3.9
74.32191	1.4
79.05502	1.7
81.03419	24.8
81.07043	3.1
83.04975	3.1
84.04485	4.1
84.08124	4.5
84.96042	2.6
85.02910	100.0
86.05657	1.5
86.09714	3.1
87.00832	48.2
87.04469	2.8
91.05491	10.8
92.05829	1.7
95.05000	1.8
97.02302	2.6
97.02901	45.8
97.06519	2.2
98.97594	12.4
99.04460	15.3
105.01874	79.4
109.02892	23.7
110.07172	3.1
110.97586	2.2
111.04422	2.6
116.98653	3.3
117.03371	1.7
119.04956	14.4
120.05279	9.4
120.08105	6.3
126.02422	1.6
126.05525	1.8
127.03933	76.3
128.98622	1.5
129.01820	2.7
130.05016	3.5
132.71089	1.5
133.02849	2.6
137.05956	2.9
143.00128	1.7
143.10713	2.6
145.02888	2.5
145.04976	41.9
146.99632	1.7
147.02779	1.7
147.03004	1.8
147.04420	57.6
148.04755	58.3
158.99680	2.5
159.02908	7.4
161.01225	2.7
161.11769	2.4
163.03857	2.3
171.02876	1.9
177.00847	2.1
177.05467	4.4
178.05783	2.1
179.03400	17.1
185.09784	2.5
187.07585	1.5
189.03973	4.2
213.04016	2.3
219.01822	2.0
231.05009	29.9
237.02766	2.6
248.07890	2.1
249.06122	17.8
251.09201	2.8
269.40756	1.5
291.10019	2.5
340.13892	2.5
340.17691	4.1
358.08041	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	340.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25284	0.6
56.96575	1.6
57.03437	0.6
59.06138	0.7
60.04530	18.5
61.26004	0.7
69.03423	1.9
69.07049	0.6
70.02975	3.0
70.06599	1.7
71.16950	1.2
72.08160	1.1
81.03416	0.7
81.07050	0.8
83.04974	0.7
84.08152	1.4
85.02923	2.4
86.09708	1.8
87.05595	17.4
91.05465	1.4
93.07049	1.1
95.06067	0.8
97.02934	1.2
97.06538	0.7
98.97605	1.7
103.05482	2.1
103.32204	0.7
105.07037	2.6
106.05014	1.6
110.07171	1.8
112.99128	0.8
115.05416	0.7
117.07037	1.7
119.07281	1.0
120.08115	96.2
123.04432	0.7
126.05511	0.7
127.03906	1.7
131.00142	0.8
132.08131	1.0
133.06477	0.8
134.09682	1.7
136.06203	19.8
144.08090	19.6
146.09642	1.1
147.04402	1.1
148.04771	1.7
156.07635	0.7
161.07094	1.3
162.09160	17.7
163.03889	0.7
177.00835	1.0
178.04929	1.3
179.03357	4.2
203.06689	1.2
207.11304	100.0
219.01936	0.7
235.10788	21.6
253.11877	3.3
295.13934	0.8
296.14899	1.3
322.13882	6.0
340.06711	4.3
340.10785	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	339.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.1
55.47059	3.2
57.07081	8.1
67.05515	21.6
69.07073	32.1
79.05494	15.6
79.54191	3.4
81.07056	55.0
83.04975	8.1
83.08622	9.7
91.05471	6.7
93.06565	3.8
93.07048	24.3
95.08618	52.1
97.10172	10.2
103.92531	3.3
105.07030	29.9
107.08594	32.2
109.10160	39.2
111.11717	3.8
119.08601	28.3
121.10146	37.7
123.11681	19.7
131.08572	11.4
133.10126	21.9
135.11703	17.8
137.13251	5.4
143.08565	4.6
145.10141	15.6
147.11662	21.2
149.13298	18.2
157.10110	4.2
159.11739	23.7
161.13268	20.6
163.14830	9.7
173.13231	16.3
175.14850	10.7
177.16440	9.2
185.13211	4.5
187.14839	12.3
189.16393	9.3
201.16397	7.2
203.17981	5.9
213.16473	7.6
215.17966	9.8
217.19548	3.7
229.19464	7.9
243.21136	7.8
255.21169	3.9
257.22675	5.7
269.22672	10.4
283.24191	13.2
338.09628	3.7
339.30624	100.0
340.30786	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	340.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01360	0.6
55.05504	2.1
56.96310	1.0
56.96571	16.2
63.71148	0.8
67.05495	2.0
69.03398	1.1
69.07067	2.0
69.32707	1.9
69.33118	4.9
70.06609	1.0
79.05492	4.8
81.03421	1.7
81.07046	3.0
81.39353	0.9
82.07397	1.1
83.08616	1.1
85.02895	0.9
91.05483	2.6
93.07036	1.9
95.05005	1.2
95.08591	2.2
97.06539	2.3
98.97561	1.6
100.11255	2.7
103.05456	10.2
105.07017	2.5
107.04964	4.1
107.08577	1.2
109.10145	1.8
110.06059	0.9
110.97548	1.1
116.73943	0.8
116.98629	0.9
119.08580	2.2
120.08085	1.4
123.11749	0.8
124.11979	0.9
131.04921	5.3
131.08559	0.8
137.05920	2.0
138.06313	1.0
139.00723	1.8
147.11710	1.0
151.00763	1.1
153.02220	2.4
155.03766	0.8
157.01688	1.6
157.10135	1.1
160.11197	1.5
162.09140	1.1
167.03816	2.1
171.03287	1.3
175.11325	0.8
179.03879	1.1
183.03262	1.2
185.04872	10.0
192.13811	3.2
199.06319	1.1
203.05940	6.6
211.06407	2.5
217.07431	0.8
221.08629	1.4
223.06401	2.7
229.07448	2.0
231.06847	1.4
237.07993	2.4
239.09602	1.2
241.07397	1.9
249.07965	10.6
255.08974	1.7
262.09518	1.1
267.09042	100.0
268.09543	1.0
276.72656	1.2
285.10104	76.9
290.10889	5.5
299.11679	29.6
303.11066	1.4
308.11786	5.2
317.12744	35.4
322.11252	1.5
330.66611	1.6
340.14331	5.3
340.19028	41.9
340.87650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82112	0.8
53.03949	0.7
53.39485	0.6
55.05515	9.1
57.07074	5.3
65.59676	0.7
67.05504	14.9
69.07072	21.7
69.61715	4.4
71.08627	1.2
79.05497	9.8
80.82455	0.8
81.07061	65.0
83.04977	3.0
83.08625	10.3
85.10175	0.7
91.05483	4.3
93.06483	1.6
93.07043	20.2
95.05001	1.2
95.08613	50.5
97.10178	4.1
97.13624	0.6
100.97951	0.6
105.07031	17.2
107.07873	1.5
107.08595	25.8
109.10162	28.5
111.04472	1.8
111.11727	2.8
117.07035	2.4
119.08581	27.3
121.10149	25.9
123.11703	16.4
125.13280	1.3
131.08571	6.8
133.10146	12.7
135.11708	13.4
137.13245	5.1
143.08588	2.5
144.09328	1.2
145.10139	14.3
147.10545	1.1
147.11697	17.8
149.13258	11.3
151.14793	1.3
157.10173	3.8
158.10904	1.1
159.11703	16.7
160.12500	1.4
161.13268	19.2
163.14841	7.4
171.11722	2.5
173.13251	12.1
175.14825	9.7
177.16440	4.4
185.13266	4.3
187.14828	14.1
189.16394	8.2
191.17955	2.1
199.14877	1.8
201.16394	11.3
203.17944	7.8
205.19595	0.9
213.16472	5.3
215.17981	10.4
217.19511	4.2
227.17995	2.1
229.19542	7.3
231.21074	3.1
241.19534	2.8
243.21103	5.6
245.22688	2.1
255.21077	3.4
256.21924	1.8
256.61172	0.8
257.22644	6.0
269.22662	5.1
283.24152	6.0
297.25748	2.5
339.30493	100.0
340.30920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05515	13.1
57.03440	1.0
57.07083	6.4
57.52728	0.6
61.33514	0.7
67.05508	16.0
69.07073	34.5
70.24490	1.1
70.24824	1.3
71.08633	2.4
75.44657	0.7
79.05505	10.8
81.07059	62.5
83.04988	2.1
83.08624	11.9
91.05475	6.1
93.07054	20.5
95.08613	47.1
97.10185	6.0
105.06314	1.2
105.07035	25.6
107.08605	32.0
109.10163	26.6
111.04483	1.0
111.11766	3.6
113.63545	0.8
117.07037	2.7
119.08588	26.1
121.10152	31.0
123.11710	15.1
125.15775	0.7
129.07036	1.2
131.08583	9.6
133.10147	17.7
135.11705	15.1
137.13240	6.2
143.08580	3.1
144.09319	1.4
145.10133	16.0
146.10950	0.7
147.11699	19.8
147.12801	1.2
149.13278	12.1
151.14833	2.0
157.10182	5.5
158.10916	1.6
159.11714	21.2
159.13055	1.1
160.12476	1.7
161.13261	18.4
163.14825	9.6
165.16379	1.2
171.11722	7.6
172.12492	1.1
173.13264	14.7
175.14833	11.6
177.16406	4.5
180.62984	0.8
185.13229	4.4
187.14832	14.1
189.16396	8.4
191.17966	3.1
199.14883	2.7
201.16399	12.2
203.17986	6.8
205.19548	2.1
213.16406	5.5
215.17992	9.7
217.19514	4.6
227.17969	6.1
228.18854	1.0
229.19495	11.3
229.21472	0.8
231.21136	4.8
241.19490	3.9
243.21062	4.9
245.22722	3.1
255.21201	3.5
257.22650	11.8
269.22662	6.2
283.16891	5.5
283.24191	7.7
297.25812	1.5
321.28006	1.0
323.28555	0.7
339.30524	100.0
340.30801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78991	0.7
53.03935	1.3
53.57368	0.7
55.05513	9.8
57.07076	9.3
65.03930	0.7
67.05505	18.5
67.41873	0.6
69.07075	22.8
69.15308	0.7
69.60308	1.8
69.60698	2.1
71.08642	1.0
79.05497	6.9
81.07063	45.6
83.04965	1.0
83.08624	10.9
85.06525	0.8
85.10158	0.9
91.05485	7.1
93.07047	20.4
95.04952	0.8
95.08612	43.4
97.10190	4.0
105.07039	19.9
107.08603	27.5
109.10165	30.3
109.10933	1.0
111.11703	2.5
117.07021	2.6
119.08588	25.4
121.06489	1.7
121.10156	30.8
123.11726	12.0
130.07849	0.8
131.08578	7.5
133.09149	1.0
133.10141	20.5
133.11098	1.3
135.11697	14.7
137.13251	4.8
143.08563	2.8
144.09299	0.9
145.10133	14.1
147.08092	0.8
147.11705	23.9
149.13264	12.6
151.14804	1.9
157.10135	4.5
158.10938	0.8
159.11710	16.4
161.13263	12.3
163.14825	8.6
171.11729	3.2
173.13274	10.8
175.11185	5.5
175.14833	8.9
177.16389	5.4
183.11760	1.0
185.13185	3.7
187.14798	10.0
189.16386	7.2
191.17953	3.6
199.14803	3.9
201.16426	11.1
203.17978	7.0
206.16661	0.7
213.16338	5.0
215.17964	8.6
217.19528	5.6
225.16397	0.8
227.17946	5.4
229.19514	8.4
231.21046	4.1
241.19510	4.4
243.21063	5.7
245.22597	1.6
255.21153	4.2
257.22656	6.4
269.22607	7.4
271.24033	1.0
275.11914	0.8
283.16949	46.9
283.24100	9.2
297.25830	1.7
311.27322	1.4
339.23303	11.1
339.30490	100.0
340.31064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.0
55.01866	11.2
55.05516	41.3
56.96567	5.7
57.03434	7.5
57.07066	9.3
59.04992	9.9
65.03931	3.5
67.05507	90.1
68.18317	2.8
69.03423	9.2
69.07076	34.5
69.63832	15.2
69.64244	6.2
71.04996	30.8
72.82517	3.3
73.06555	4.3
79.05495	63.5
81.03407	6.3
81.07059	100.0
83.04967	14.1
83.08630	19.8
85.02908	4.5
85.06532	9.1
91.05485	72.8
93.07048	76.2
95.04955	23.5
95.08604	76.4
97.06526	28.1
97.10162	18.5
98.97588	33.5
99.08096	8.2
105.07034	93.1
107.04967	16.5
107.08591	55.8
109.06549	29.7
109.10167	40.9
111.08070	14.1
115.05463	3.3
115.07621	5.0
116.98632	17.2
117.07015	22.7
119.08580	73.6
121.06504	19.0
121.10156	51.6
123.04411	4.5
123.08080	23.9
123.11692	10.6
125.05983	3.9
125.09641	12.9
127.07551	4.0
128.06171	3.6
129.07007	9.6
131.08568	46.3
133.06522	6.6
133.10123	65.8
134.99709	3.5
135.08035	20.1
135.11711	25.1
137.05927	3.1
137.09639	16.5
138.72626	3.1
139.11140	6.1
140.74252	2.9
141.09027	3.3
142.07895	3.0
143.08563	10.5
145.06377	4.5
145.10132	50.6
147.08031	10.0
147.11691	46.7
149.09645	28.8
149.13231	7.8
151.11214	16.0
155.08560	5.2
157.10143	12.1
159.08083	9.3
159.11716	30.7
161.09660	10.0
161.13229	16.2
163.11224	10.7
163.14847	3.3
165.12799	5.3
169.10114	3.9
171.11700	14.1
173.09586	6.1
173.13266	18.6
175.11198	13.7
177.05492	5.1
177.12762	8.6
179.14282	3.1
183.11711	10.4
185.13293	4.8
187.11127	5.7
189.12709	6.1
193.05093	4.5
197.13255	6.0
201.12672	4.6
207.13925	4.6
213.16368	4.3
219.13844	6.6
229.19472	14.4
231.17448	5.5
239.17955	13.7
247.20578	27.1
256.96423	6.9
257.19040	17.5
261.18570	4.0
263.20087	9.5
271.16837	7.2
273.18539	12.3
274.97504	27.6
275.20078	100.0
283.16931	37.4
289.17978	12.1
289.21591	53.8
292.98401	14.4
297.98962	5.0
305.21170	7.4
307.19345	6.4
307.22647	40.5
321.20752	4.7
321.24252	52.7
339.15088	4.5
339.22391	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	339.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	37.3
57.03423	6.8
57.07078	13.2
57.66905	5.6
65.03947	6.5
66.75230	5.0
67.05509	61.4
69.03427	11.5
69.07071	44.3
70.13583	25.2
71.04986	15.5
71.08623	4.7
73.06258	4.6
73.06564	58.8
74.73680	4.9
79.05497	56.5
81.07061	100.0
83.04997	38.4
83.08613	23.4
91.05487	38.6
93.07042	51.5
95.04951	14.5
95.08614	63.5
97.06522	15.5
97.10179	14.4
105.07040	55.7
107.04993	10.5
107.08595	40.1
109.06501	18.5
109.10190	26.3
111.04433	13.4
111.08056	5.9
113.09630	5.5
117.07011	13.5
119.08604	42.7
121.10160	27.0
123.08069	16.2
123.11687	17.1
125.09609	8.6
129.06990	5.6
131.08551	22.2
133.10135	39.8
135.08078	10.7
135.11655	8.3
137.09636	9.9
139.11183	6.6
145.10123	17.7
147.11659	23.1
149.09616	18.6
149.13283	9.8
151.11197	9.2
157.10115	14.9
159.11662	12.4
161.13312	6.0
161.82693	6.8
163.11168	13.3
165.12866	11.5
170.27405	5.4
171.11693	5.6
173.13242	7.2
193.04997	7.3
193.12268	7.5
247.20473	9.6
256.96698	5.8
257.19196	12.1
275.20090	81.1
289.21579	24.5
307.22705	62.3
321.24252	12.7
339.28122	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	37.3
57.03423	6.8
57.07078	13.2
57.66905	5.6
65.03947	6.5
66.75230	5.0
67.05509	61.4
69.03427	11.5
69.07071	44.3
70.13583	25.2
71.04986	15.5
71.08623	4.7
73.06258	4.6
73.06564	58.8
74.73680	4.9
79.05497	56.5
81.07061	100.0
83.04997	38.4
83.08613	23.4
91.05487	38.6
93.07042	51.5
95.04951	14.5
95.08614	63.5
97.06522	15.5
97.10179	14.4
105.07040	55.7
107.04993	10.5
107.08595	40.1
109.06501	18.5
109.10190	26.3
111.04433	13.4
111.08056	5.9
113.09630	5.5
117.07011	13.5
119.08604	42.7
121.10160	27.0
123.08069	16.2
123.11687	17.1
125.09609	8.6
129.06990	5.6
131.08551	22.2
133.10135	39.8
135.08078	10.7
135.11655	8.3
137.09636	9.9
139.11183	6.6
145.10123	17.7
147.11659	23.1
149.09616	18.6
149.13283	9.8
151.11197	9.2
157.10115	14.9
159.11662	12.4
161.13312	6.0
161.82693	6.8
163.11168	13.3
165.12866	11.5
170.27405	5.4
171.11693	5.6
173.13242	7.2
193.04997	7.3
193.12268	7.5
247.20473	9.6
256.96698	5.8
257.19196	12.1
275.20090	81.1
289.21579	24.5
307.22705	62.3
321.24252	12.7
339.28122	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03936	3.1
55.01873	3.5
55.05514	21.8
56.87292	1.3
57.03443	11.8
57.07064	3.3
59.04988	1.4
59.07183	1.3
61.02913	1.4
65.03934	2.4
67.05509	86.9
69.03396	2.0
69.07072	14.5
71.04984	4.5
71.08649	1.7
71.54649	1.6
79.05076	2.8
79.05498	37.3
81.03445	3.1
81.07063	100.0
82.07377	1.7
83.04973	4.2
83.08632	13.2
85.06539	7.0
91.05490	27.4
93.07055	58.4
95.04984	9.8
95.08615	79.5
97.06553	7.1
97.10170	11.8
98.97578	11.6
105.04506	1.8
105.07041	21.1
107.04951	3.4
107.08605	44.5
109.05829	1.7
109.06534	22.0
109.10165	49.4
109.53111	1.6
110.10515	1.4
111.08067	2.9
113.06024	7.1
116.98606	3.1
117.07049	12.0
119.08590	20.1
121.06500	3.8
121.10150	36.8
123.08054	4.1
123.11739	14.9
125.09640	8.4
129.07071	2.8
131.08572	17.8
133.06505	1.9
133.10136	15.5
135.08043	5.8
135.11705	30.4
137.09616	7.6
137.13229	3.6
139.11172	2.6
143.08640	2.0
145.10118	21.8
147.08093	1.9
147.11719	11.6
149.09657	2.7
149.13287	21.6
151.11177	2.8
159.08037	12.3
159.11696	20.6
161.13272	7.1
163.07599	4.1
163.11212	2.1
163.14789	6.8
165.12807	2.0
171.11676	2.5
173.13217	8.9
177.05659	1.6
177.09061	2.0
177.12704	2.2
185.09627	2.0
187.14822	4.9
191.10602	1.6
201.16464	2.1
203.12753	3.3
205.15852	2.4
213.07796	1.6
219.21049	5.5
229.19540	25.0
232.96434	1.7
247.20598	86.7
253.15822	3.5
261.18497	5.9
265.21658	5.9
271.16876	3.1
274.97565	10.9
289.17984	18.5
292.98553	4.4
293.32996	1.4
303.15497	1.4
307.18967	5.3
321.20609	14.8
321.24252	18.0
339.21704	1.2
339.25281	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	339.2531
Annotation	2,6,10,14-Phytatetraene-1,16,18,20-tetrol
Peak:m/z	Relative Intensity
53.03951	5.8
54.90109	3.2
55.05517	32.0
57.03446	8.4
57.07080	7.0
62.23638	3.4
67.05513	38.7
69.03421	5.5
69.07074	48.9
69.20575	6.3
69.20980	30.8
71.04997	6.5
71.08636	31.0
73.06557	9.3
78.55306	3.3
79.05499	38.2
81.03440	6.7
81.07066	56.6
81.23623	3.4
83.04987	19.5
83.08636	9.2
87.44083	3.8
90.32432	3.8
91.05466	19.5
93.07060	36.9
95.04975	27.7
95.08605	46.1
97.06537	8.9
97.10152	7.9
99.08114	27.2
105.07030	26.5
107.04941	6.9
107.08598	26.8
109.06529	33.3
109.10142	17.3
111.04442	5.2
111.08099	6.5
117.07041	6.1
119.08585	18.6
121.06523	8.7
121.10164	23.3
123.08105	6.8
124.91890	3.6
125.09647	6.8
131.08568	16.3
133.10135	17.9
135.08037	13.9
135.11774	7.8
136.44060	4.2
137.09674	4.5
139.11180	16.2
145.10110	11.8
147.11707	10.7
149.09674	8.4
151.11224	9.7
155.08556	5.9
157.10214	3.7
158.37210	4.6
159.11696	9.5
161.13284	6.7
163.11208	10.0
165.12761	63.0
173.13185	5.3
175.14821	3.7
177.12788	13.7
179.14307	4.5
181.15834	17.3
183.13821	4.7
187.14941	5.7
191.14272	4.9
193.04932	6.4
201.12793	5.2
205.15749	3.5
207.13895	6.0
217.14473	7.1
242.91107	3.7
251.16608	5.0
261.22119	29.0
275.20026	35.5
278.86630	3.8
279.23212	8.4
289.21640	89.4
292.98642	3.9
307.22699	54.0
321.24261	100.0
339.27814	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64382	5.5
53.03946	9.1
53.40115	4.2
55.01874	31.7
55.05521	29.0
57.03434	29.4
57.07064	7.6
63.90900	4.0
67.05502	66.6
69.03421	5.5
69.07055	21.1
69.26666	20.9
69.27090	24.7
79.05495	63.2
81.03390	13.5
81.07066	80.4
83.04980	40.2
83.08620	7.8
91.05486	64.7
93.07051	46.2
93.07583	7.1
95.04971	78.3
95.08607	45.6
97.06551	6.9
98.07327	8.4
105.07027	57.0
107.04951	92.1
107.08595	29.6
108.05721	9.6
109.06508	40.2
109.10158	11.7
111.04426	13.1
111.08101	5.5
112.05227	10.0
113.06037	8.7
115.05463	8.7
117.07014	27.6
119.04899	11.3
119.08585	31.4
121.06483	19.6
121.10136	14.3
122.07294	26.1
123.08053	14.5
123.11756	5.7
129.07008	11.9
131.08589	32.6
133.06493	18.6
133.10126	13.3
135.08083	24.0
135.11690	9.2
137.06056	4.9
137.09595	7.7
143.08572	20.8
145.06444	18.6
145.10123	21.4
147.08070	32.5
147.11694	10.4
149.02356	5.7
149.09642	8.8
151.07504	6.5
155.08560	6.6
159.11678	13.0
161.09633	20.4
161.13268	5.5
163.07414	5.7
163.11183	16.2
165.09096	12.0
171.11661	8.6
171.47063	4.7
173.13261	9.5
177.12611	7.6
187.14792	14.5
189.12817	4.7
197.13243	8.1
205.15759	10.2
215.14325	16.8
233.15382	100.0
265.18024	63.2
266.18259	5.6
273.18439	15.6
294.14850	5.3
304.20337	7.8
305.21201	10.8
339.27628	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03949	3.5
53.83784	1.2
54.04287	1.3
55.01872	3.1
55.05515	13.6
56.96560	3.5
57.03442	8.8
57.07072	5.7
65.03944	2.8
66.80186	1.4
67.05507	80.3
67.84799	1.5
69.03428	1.9
69.07073	13.8
71.05014	1.7
71.53900	1.4
72.18119	1.6
75.04480	1.5
79.05491	36.1
81.03403	2.5
81.07058	100.0
83.04992	5.1
83.08626	7.2
85.06556	2.8
91.05485	21.3
93.07050	53.0
95.04980	4.1
95.08611	73.4
97.06539	8.1
97.10178	5.4
98.97581	7.2
99.08075	2.5
103.55147	1.4
105.07030	22.2
107.04959	2.2
107.08594	37.5
109.06528	17.0
109.10162	43.0
116.98615	2.0
117.07036	7.9
119.08585	20.3
121.06537	3.4
121.10153	41.1
123.08095	3.2
123.11729	17.8
125.09645	4.8
129.07042	2.4
131.08563	19.1
131.39346	1.4
133.06517	1.5
133.10156	15.8
135.08052	2.4
135.11700	25.4
136.93105	1.7
137.09608	5.5
137.13260	4.7
139.07478	1.7
139.11263	1.8
143.08649	1.7
145.10124	18.4
147.11682	15.3
149.09639	4.2
149.13268	18.6
151.11223	3.9
151.14769	1.8
153.09065	2.3
154.94173	1.8
157.10124	2.4
159.11687	16.0
161.13318	4.4
163.11197	2.4
163.14816	7.2
165.12788	1.6
167.10648	2.2
172.27599	1.5
172.95226	1.7
173.13277	10.6
175.11189	4.4
187.14841	4.9
193.12302	1.9
219.21175	4.2
229.19537	26.1
247.20584	76.5
265.18320	1.3
265.21567	6.8
269.81085	1.3
271.17133	1.8
274.97531	6.2
283.16904	16.5
289.18134	7.0
289.21014	1.5
292.98361	2.2
303.19913	1.7
307.18903	1.7
307.92532	1.4
321.20779	3.0
321.24249	13.1
339.13867	2.1
339.25522	21.4
352.02823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
53.02503	3.2
53.03946	18.4
53.44069	2.8
55.01855	11.4
55.05517	40.4
57.03440	17.1
57.03671	3.0
57.07055	6.2
57.93770	2.7
58.65736	3.1
65.03927	4.7
66.33065	2.9
67.05509	74.6
69.03406	9.3
69.07083	15.8
69.73933	17.2
70.83050	2.8
71.04993	44.8
71.08614	3.1
73.02883	3.7
79.05495	66.7
81.02995	4.0
81.03423	40.6
81.06594	6.4
81.07058	95.2
83.04982	53.8
83.08600	11.3
85.06516	7.1
91.05485	56.5
92.71868	3.3
93.03411	3.6
93.06474	6.0
93.07040	70.3
95.04980	25.1
95.08611	45.8
97.06519	8.5
97.10165	5.3
101.06007	5.8
105.07043	46.1
107.04948	28.5
107.08619	23.3
109.02895	4.1
109.06510	31.4
109.10139	8.1
111.04455	3.1
111.08070	6.3
117.07024	23.1
119.04904	4.7
119.08593	24.2
120.04006	3.2
121.06531	18.7
121.10127	13.1
123.04453	4.5
123.08087	17.4
125.06004	5.2
125.09630	8.1
128.06258	4.4
129.07036	19.4
130.51445	3.0
131.08588	24.5
133.06467	9.6
133.10138	26.2
135.08035	13.7
135.11688	21.0
136.22643	2.9
137.09598	7.0
139.07506	4.3
141.06982	7.8
141.13324	3.6
143.08531	11.1
145.06453	10.0
145.10112	14.7
147.08055	14.4
147.11662	13.3
149.02335	5.8
149.09630	7.6
149.13237	10.2
155.08542	11.3
157.10129	15.6
159.08160	17.8
159.11707	20.1
161.09641	19.8
161.13257	7.7
163.07527	4.8
163.11145	9.0
165.09189	4.1
169.10103	11.3
171.11684	13.4
173.09619	14.8
173.11745	2.8
173.13278	7.4
175.11182	12.4
177.12793	15.0
179.14290	4.7
183.10179	6.8
183.11632	3.5
187.11198	12.1
189.12772	8.7
191.10747	5.9
191.14310	8.1
193.04991	13.6
199.11237	5.9
201.12785	5.2
205.12234	4.9
205.15884	4.1
207.13757	15.1
215.14243	6.4
217.12303	4.2
219.13794	13.0
224.65656	5.4
231.13719	5.8
233.15326	12.0
235.13069	4.4
237.14828	10.5
243.17438	9.1
247.13416	3.7
249.14833	3.7
253.15889	6.6
255.86372	3.4
261.18460	16.8
263.16479	6.8
271.16937	39.5
280.90121	3.5
289.17966	100.0
303.19559	47.9
321.20660	31.0
339.22046	38.6
339.27707	36.6
339.77896	11.2
348.19550	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	339.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.3
53.50268	1.5
55.01876	10.9
55.05511	29.4
57.03443	15.7
57.76205	1.7
59.04993	3.5
59.77010	1.8
65.03931	2.7
67.05507	54.5
69.03425	5.2
69.07081	10.8
69.99751	6.5
71.04646	2.5
71.04994	24.0
73.02901	5.0
79.05080	2.9
79.05497	36.9
81.03416	27.4
81.06588	3.2
81.07057	56.3
81.07529	4.1
83.04983	56.6
83.08611	6.7
83.49876	1.6
84.39840	1.9
85.06537	7.5
91.05482	38.1
93.03419	2.1
93.07053	41.8
95.04972	22.4
95.08604	29.2
97.06541	19.9
97.10174	3.7
98.97598	4.0
99.04430	7.0
99.08068	2.9
101.06013	3.6
105.04508	2.2
105.07035	30.3
107.04964	24.0
107.08593	22.6
109.06535	14.1
109.10157	11.0
111.04421	3.5
111.08079	4.8
113.06002	3.8
115.05460	2.1
117.07024	17.7
119.08578	17.3
121.06508	11.2
121.10134	7.4
123.04405	4.7
123.08065	10.8
123.11736	2.3
125.05986	11.7
125.09654	3.5
129.06993	9.5
131.04901	2.9
131.08571	16.1
133.06517	10.1
133.10124	19.4
135.08057	9.2
135.11728	10.2
137.05974	5.2
137.09621	3.3
139.07484	2.1
141.07031	2.5
143.08569	6.8
145.06502	6.5
145.10127	11.5
147.08041	7.2
147.11699	11.1
149.06027	2.5
149.09612	7.2
149.13263	7.3
151.07530	5.5
151.11218	9.2
155.08549	4.1
157.10124	6.6
159.08072	7.6
159.11674	13.3
161.09608	7.4
161.13274	3.4
162.59177	1.8
163.07494	6.0
163.11148	12.9
169.10152	5.4
171.11731	13.4
173.09628	3.6
173.13274	5.5
175.11171	5.1
177.09091	5.3
177.12761	11.0
179.14308	2.7
183.10194	2.1
183.11626	2.7
185.13297	2.3
187.11189	6.8
189.12762	5.5
191.10626	1.9
191.14314	3.3
197.13329	2.2
199.11218	5.2
205.15866	4.8
207.13824	5.4
215.14296	5.5
215.18002	2.3
217.12187	4.9
219.13832	5.3
225.16399	3.2
233.15419	13.2
237.14796	7.5
243.17422	3.7
249.15002	2.1
253.15805	7.7
261.18460	15.3
263.16440	2.1
271.16895	17.2
274.97528	3.6
282.18292	2.0
289.17990	100.0
290.18524	2.5
292.98599	2.9
303.19583	13.9
304.19595	2.4
307.19122	3.7
321.20599	27.3
339.21786	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	339.1804
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
53.03917	0.9
53.29559	0.7
53.29853	0.7
55.01835	2.6
55.05462	5.8
56.96517	3.0
57.03382	3.1
59.34381	0.8
67.05452	6.7
69.03380	2.7
69.07011	3.4
71.04954	1.3
71.14269	1.6
78.19850	0.7
79.05496	4.5
81.03350	3.1
81.07063	8.3
83.04977	4.0
83.08579	1.8
85.02859	0.9
85.06490	1.2
87.45736	0.7
90.56870	0.7
91.05490	5.1
91.05990	1.1
93.07053	6.2
95.04967	4.0
95.08612	5.4
97.02853	2.2
97.06531	4.9
97.10114	2.4
98.97559	1.5
103.82782	0.7
105.06982	3.1
107.04910	1.5
107.08585	4.1
109.02808	1.7
109.03937	0.7
109.06523	5.7
109.10162	3.9
111.04392	2.1
111.08028	1.5
113.06039	4.3
116.98562	1.3
117.07043	1.7
119.04896	2.2
119.08516	3.2
121.06497	4.6
121.10106	1.7
123.04365	1.0
123.08035	1.4
125.09585	1.6
127.03848	1.0
127.07513	0.8
129.06972	0.9
131.08516	1.7
133.10065	2.1
135.04390	1.0
135.07986	2.4
135.11688	0.9
137.05971	8.9
137.09624	8.7
139.07512	1.1
139.11121	0.9
141.06898	0.8
143.08479	1.5
145.10072	2.0
147.04352	1.0
147.07991	1.7
149.05917	1.5
149.13293	0.9
151.07518	0.9
153.05415	2.0
155.07060	8.2
155.08315	1.3
157.10135	1.0
159.08061	1.6
159.11673	1.7
161.09572	1.2
161.13173	0.8
163.03769	1.0
163.07533	5.5
165.05397	2.5
165.09056	0.9
173.09590	1.5
173.13243	1.2
175.11159	1.0
177.05521	4.5
181.04962	1.0
181.08604	1.5
187.07562	0.9
189.09146	1.0
191.07039	18.6
192.07838	4.5
193.08559	1.7
195.06577	1.9
199.11356	0.8
205.08586	3.1
209.08078	4.3
210.08867	4.4
221.07846	1.1
223.09604	0.9
231.07791	2.2
233.15274	0.8
257.15265	1.1
274.97421	1.4
275.16406	6.2
285.14871	2.3
293.17453	7.3
300.59528	0.9
303.15915	53.3
304.16275	0.9
321.16971	100.0
322.17096	1.6
339.18036	87.1
340.18503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
53.78779	0.9
55.01874	1.5
55.05519	5.1
56.05012	1.0
56.96559	2.3
57.07066	3.4
59.04996	1.0
61.02926	1.8
67.05512	25.3
69.03418	3.8
69.07074	2.1
70.06593	2.6
70.76295	2.3
71.05000	74.6
77.87878	1.0
79.05475	3.0
81.03425	2.1
81.07066	65.4
83.08599	1.8
84.04508	1.4
84.08151	3.0
85.02923	13.7
85.06549	15.6
86.09717	1.6
86.66244	1.0
91.05484	3.0
95.04971	1.9
95.08618	6.4
97.02897	2.5
97.06520	2.1
97.10177	1.9
98.97601	5.5
99.04451	1.3
99.08109	1.5
105.03411	2.0
105.07014	2.8
107.27798	1.1
108.91418	1.1
114.69907	1.1
119.04953	4.9
120.08032	1.1
120.87332	1.1
123.11718	16.2
127.03934	2.4
133.06488	2.6
136.07600	2.3
141.12758	100.0
145.02861	1.5
147.04424	21.5
158.99669	2.2
159.13824	56.5
164.07043	1.5
177.05507	7.4
177.14885	33.5
215.08289	1.5
243.07645	4.2
261.08694	2.2
289.08234	4.0
303.10007	1.5
307.09277	1.3
338.22699	1.2
339.11823	3.4
339.15564	1.5
351.58414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2168
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
53.03944	16.6
55.01855	7.8
55.05513	20.2
57.03439	29.2
63.50542	3.1
67.05511	57.2
69.03425	8.7
69.07048	12.3
70.92439	7.6
70.92801	5.0
79.05152	3.6
79.05502	41.1
81.03421	46.6
81.07063	100.0
83.04979	49.8
83.08612	6.1
85.06529	11.5
91.05469	31.9
93.07045	59.4
95.01273	3.4
95.04964	15.6
95.08607	43.0
97.06541	8.5
97.10159	4.7
105.07038	23.6
107.04958	52.9
107.08589	26.4
109.02889	6.0
109.06512	16.4
109.10166	7.4
111.04451	35.2
111.08084	12.0
117.07019	22.4
119.04916	3.8
119.08571	14.5
121.06497	11.3
121.10135	10.8
123.04426	8.9
123.08052	16.9
125.05985	4.5
128.18738	3.0
129.05449	3.8
129.06912	6.6
131.08572	16.8
133.06509	6.1
133.10124	14.5
135.08029	12.4
135.11699	32.0
139.87413	2.9
141.06989	3.9
143.08522	7.2
145.06451	13.1
145.10136	6.0
147.08038	6.3
147.11705	7.5
149.05989	4.9
149.09560	4.7
149.13252	17.6
159.08043	13.8
159.11696	27.5
161.09663	5.7
163.07507	6.4
163.11110	4.4
165.09132	4.1
169.10135	11.9
173.09653	6.7
177.12769	49.9
179.14252	3.5
187.11195	30.2
189.12779	3.4
205.12245	15.5
205.16000	3.5
209.15329	20.3
212.08249	3.5
215.14294	6.8
223.13319	16.2
233.15378	16.3
237.14890	6.1
241.14366	14.4
242.54272	3.7
243.17508	6.2
253.15665	5.1
255.15787	17.5
261.18576	20.7
271.16916	14.4
274.63614	3.2
289.17987	96.2
302.72409	3.6
303.19418	12.8
307.19144	6.5
308.61816	3.4
321.20590	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03940	1.2
55.78612	0.5
57.03425	0.5
63.02366	0.6
64.96856	0.5
65.03939	1.7
65.88474	0.6
67.05488	0.7
69.03432	4.5
69.34719	4.8
70.06570	0.6
79.05501	0.7
81.03426	7.4
81.07046	0.8
85.02910	3.2
89.03941	3.0
91.05486	28.1
93.07053	1.3
97.02879	1.5
97.06519	0.6
98.97567	0.9
99.04453	1.2
109.02876	2.5
116.07073	0.6
117.03388	11.1
119.04946	27.4
121.06506	0.6
127.03900	1.4
131.08621	0.6
134.03677	0.6
134.30495	0.5
135.04449	0.7
137.98273	0.5
145.02853	28.2
147.04417	100.0
149.05972	4.0
163.03841	1.0
177.05479	53.3
195.06509	1.9
307.09561	1.1
315.48914	0.6
321.09705	9.5
339.10724	3.3
339.14096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.05496	0.6
56.96557	0.6
63.36710	0.3
63.52806	0.3
63.64575	0.3
64.85793	0.3
65.03936	1.0
65.34554	0.3
66.10133	0.4
67.05496	0.9
69.03419	0.5
69.07071	0.6
69.99532	0.3
70.06590	1.3
70.49147	0.8
71.04995	0.3
79.05484	0.4
81.07052	1.3
83.04992	0.8
84.08136	0.8
85.02903	1.4
86.09693	0.9
91.05484	10.9
91.10839	0.4
95.04984	0.7
95.08606	0.5
97.02897	1.2
97.76373	0.3
98.97597	2.5
99.08107	0.5
107.08604	0.5
110.07172	0.4
110.97564	0.5
111.04446	0.4
116.98629	1.0
117.03381	1.1
118.71527	0.3
119.04946	23.3
119.08607	0.5
119.87758	0.4
127.03931	0.7
130.04895	0.3
131.08583	0.6
131.42801	0.3
136.07591	0.4
141.09085	0.6
141.12772	0.6
145.02843	2.2
147.04416	100.0
148.04755	0.5
158.99684	0.7
159.08020	1.2
165.05492	0.7
177.00661	0.5
177.05475	4.2
207.02557	0.8
219.01540	0.4
237.02884	0.5
254.03183	0.4
258.04080	0.8
293.04605	0.5
321.09543	0.5
321.14346	0.4
328.83435	0.3
339.14255	2.8
355.66794	0.4
358.07965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
69.07072	0.4
70.06597	0.4
71.24630	0.3
71.24973	0.6
72.08162	11.8
74.06087	0.4
78.73830	0.3
81.07076	0.6
82.73066	0.3
84.08151	0.4
85.02911	0.6
91.05492	5.6
95.08590	0.9
97.06528	2.5
98.97599	0.8
99.32602	0.3
107.04977	0.4
109.06560	0.5
111.88374	0.3
118.08660	6.4
119.04958	7.3
120.08128	0.6
121.06516	0.7
123.08103	0.8
136.07587	100.0
137.07928	0.6
141.09100	1.5
147.04399	0.5
148.07596	0.5
159.10207	0.9
166.08736	0.3
176.07069	0.4
193.09743	63.4
194.09955	0.6
218.87186	0.3
221.09229	14.5
221.11386	0.7
227.93845	0.3
247.19238	0.3
281.14978	1.2
303.27502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13327	0.5
53.03942	0.9
55.01870	5.5
55.05504	2.4
56.96561	2.1
57.03431	2.4
57.07081	0.7
61.02914	1.3
67.05511	3.7
69.03437	4.5
69.07075	1.4
70.06590	1.8
70.39588	0.6
71.04982	2.2
71.44247	1.1
72.08154	0.9
73.02926	1.0
79.05494	5.3
81.03413	3.1
81.06594	1.1
81.07065	21.6
84.08142	1.4
84.96068	1.0
85.02446	1.2
85.02912	14.1
85.06575	0.5
85.30470	0.6
86.09720	1.5
91.05474	1.7
93.07048	1.9
95.04962	1.9
95.08611	19.5
97.02891	5.6
97.06538	66.0
98.97589	19.2
99.04482	1.0
99.08102	1.0
100.03097	0.6
105.07043	4.0
107.08585	3.2
109.02883	2.2
109.06525	3.4
109.10198	1.6
110.07171	1.1
110.97556	1.6
111.08067	2.3
112.99155	1.9
113.06030	0.9
116.07145	0.6
116.98634	5.5
119.08574	1.4
120.08089	0.7
121.10155	2.0
123.08077	22.1
124.07578	0.8
127.03913	3.3
128.98659	1.2
130.06493	0.8
131.00203	1.0
131.08582	1.8
133.10143	2.6
134.99658	0.6
135.08067	1.2
136.07579	0.9
138.05540	0.8
140.98656	0.6
141.09113	100.0
145.02853	1.3
145.04965	2.0
145.10139	0.8
147.04507	0.7
147.11679	1.2
149.13225	0.8
152.07112	0.9
153.09166	0.7
158.10928	0.9
158.99652	8.9
159.10179	12.7
170.99712	0.8
173.01285	1.6
173.13203	2.8
176.07103	0.7
177.00751	4.6
177.05490	1.6
180.06587	0.9
181.06934	1.3
186.05376	1.3
191.14340	1.8
198.07736	0.9
199.08052	1.1
201.00771	0.7
205.08066	1.3
212.04536	0.6
214.06763	1.9
214.08614	5.6
217.05344	0.8
219.01793	3.5
223.09134	5.5
223.59343	0.9
225.59547	0.8
234.59906	0.9
237.02914	1.9
244.99799	1.0
248.08015	1.4
257.08582	1.1
261.02914	1.2
266.09308	0.7
277.10141	1.3
279.03952	0.6
283.12262	0.8
286.10776	0.8
295.11267	2.7
303.03955	0.6
303.13483	1.4
307.12292	0.6
316.11801	2.2
338.11264	1.1
338.17523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01876	8.5
55.05513	70.1
57.03439	7.2
58.19379	2.9
59.05016	3.4
61.32232	2.8
67.05515	30.3
69.03423	10.3
69.07061	12.6
69.53123	20.4
79.05504	33.2
79.11507	3.1
80.05849	2.7
81.03412	5.6
81.07056	39.4
82.07368	3.2
83.04989	8.0
83.08617	44.1
91.05472	13.3
92.60616	3.4
93.07032	21.3
95.04967	3.1
95.08607	11.4
97.06563	4.2
97.10172	93.9
105.07009	7.7
107.04946	3.9
107.08593	44.0
109.06519	11.3
109.10150	7.6
111.08076	6.7
117.07002	24.9
117.64546	2.8
119.08566	10.4
123.04427	3.3
125.09637	89.0
131.08588	4.3
131.25783	3.1
133.06548	4.1
133.10118	2.6
135.08061	27.9
143.08572	6.6
145.06487	32.8
153.09077	17.1
157.12279	9.1
159.08107	3.3
167.08673	3.0
185.11763	3.8
203.10895	5.7
203.12790	100.0
243.17372	4.1
271.16940	73.9
289.18045	7.7
303.19516	41.6
321.20691	3.7
338.26718	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	339.1077
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.03947	1.4
55.01884	0.5
55.05503	0.4
56.68343	0.2
56.96556	0.4
57.03446	1.4
61.02940	0.5
65.03945	3.3
67.05509	1.0
68.99778	0.5
69.03433	6.5
70.06589	0.3
71.04991	1.6
71.54430	0.4
73.02923	0.3
79.05499	0.8
81.03423	10.1
81.07056	1.1
83.04990	0.7
83.08621	0.2
85.02914	5.0
85.06557	0.4
86.09705	0.5
87.00833	1.4
87.04483	0.3
89.03931	0.9
91.05486	100.0
92.05805	0.4
93.07063	0.8
95.04963	0.7
95.08612	0.6
97.02901	1.9
97.06563	0.4
98.97594	0.8
99.04453	2.8
103.05492	0.3
105.01836	0.3
105.07051	1.1
107.04966	0.6
107.08578	0.5
109.02885	6.7
109.06557	0.3
111.04452	0.8
115.03939	0.6
115.05443	0.3
117.03381	2.7
117.07008	0.3
119.04971	0.4
119.08576	0.8
120.08040	0.2
121.06526	0.3
122.06054	0.4
123.04403	0.4
123.07993	0.3
127.03925	11.5
128.06233	0.3
129.01808	0.3
129.05484	0.4
129.07031	0.5
131.04980	0.2
131.08531	0.5
133.05017	0.3
133.06483	0.4
133.10178	0.4
135.04410	0.5
137.06007	0.6
143.08588	0.6
145.02855	7.2
145.06482	0.3
145.10081	0.3
147.03273	0.2
147.04410	1.2
147.08107	0.3
147.11685	0.6
149.05997	1.1
149.09624	0.3
151.03949	0.5
157.06488	0.2
159.07959	0.3
159.11748	0.2
163.03932	0.7
163.10860	0.2
164.07085	0.8
173.05994	0.4
175.11215	0.3
177.05479	12.0
177.12881	0.3
186.05521	0.2
187.07611	0.2
191.03429	1.7
195.03128	0.2
199.07562	0.3
202.47461	0.2
209.01082	0.2
213.03879	0.3
217.08678	0.4
219.02982	3.0
219.08159	0.3
231.05008	0.7
303.04926	1.7
304.05377	0.3
307.09756	0.3
321.09668	2.0
321.17078	0.4
339.08875	0.8
339.14627	0.4
339.18207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.42686	0.1
53.03942	0.9
53.91707	0.1
55.01878	1.0
55.05513	24.9
57.03440	16.2
57.03657	0.2
57.07076	3.6
58.54092	0.2
59.05000	0.3
65.03938	1.6
67.05507	53.4
68.05835	0.3
69.03447	0.2
69.07069	30.7
69.27012	1.4
71.04660	0.2
71.04984	1.1
71.08630	1.6
73.06577	0.3
77.03931	0.2
78.89752	0.2
79.05495	13.2
81.07057	50.3
82.07396	0.3
83.05002	1.4
83.08621	14.5
85.06545	1.2
85.10185	0.6
89.39374	0.1
91.05484	8.5
93.07047	13.0
95.04984	0.9
95.08608	36.8
97.06528	3.4
97.10165	6.9
99.08103	1.2
101.06021	0.3
105.04553	0.2
105.07033	6.0
107.08601	7.0
109.06516	0.8
109.10159	14.3
111.05026	0.1
111.08086	1.7
111.11714	1.5
113.09681	0.4
115.07577	0.2
117.06953	0.2
119.08588	5.2
121.10146	5.7
123.08100	0.9
123.11704	7.1
125.09619	1.2
125.13293	0.3
127.07464	0.2
127.11199	0.3
131.08588	0.5
133.10132	5.4
135.11694	2.9
137.09630	0.8
137.13254	2.3
139.11223	0.5
145.10117	0.4
147.11688	3.8
149.13254	1.8
151.11177	0.5
151.14819	1.1
153.12747	0.6
161.13271	2.8
163.14813	1.5
165.12785	0.4
165.16423	0.3
167.14333	0.4
175.13446	0.3
175.14824	2.1
177.16388	0.5
179.14322	0.5
179.17894	0.1
181.15923	0.3
189.16399	0.8
193.15906	0.4
203.17979	0.3
207.17416	0.2
245.22717	1.3
263.23703	2.6
337.27359	100.0
338.27771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.7
67.05502	26.9
69.07070	27.0
70.12012	17.2
71.04999	38.4
73.27896	6.4
79.05486	24.3
81.07053	55.6
83.08595	5.3
91.05484	36.3
93.07050	49.2
95.04963	19.6
95.08617	89.8
97.06545	6.4
97.34277	4.9
105.07033	84.6
107.08595	58.6
109.06499	13.2
109.10164	36.5
117.07014	15.1
119.08597	87.0
121.10149	100.0
123.08083	13.4
123.11703	57.2
129.06972	15.6
130.07784	9.3
131.08572	42.4
133.10121	51.3
135.08064	25.1
135.11703	12.4
137.09602	6.7
142.07767	20.7
143.08571	39.0
144.09259	6.9
145.10127	76.5
147.11708	24.7
149.13185	5.9
155.08546	20.6
156.09337	16.2
157.10139	51.2
159.08008	9.5
159.11703	34.4
161.09627	25.5
163.11182	6.8
165.06984	6.0
169.10141	23.5
171.11673	23.5
173.09488	5.5
173.13257	22.0
175.11287	7.9
175.14813	21.4
177.16403	8.6
181.10127	10.3
182.10892	9.0
183.11699	29.5
185.13225	14.8
187.14809	15.3
189.16316	7.0
195.11711	20.4
195.54074	5.5
197.13289	43.8
199.14749	12.8
201.12704	17.0
201.16190	5.9
209.13228	12.1
211.14809	16.6
213.16452	7.4
215.14314	14.0
223.14822	14.1
225.16357	7.3
239.18008	11.8
247.56219	6.3
253.19394	9.0
257.18964	5.3
279.21057	18.8
281.18921	6.8
294.23334	5.8
319.24048	10.7
323.02182	5.7
333.27838	4.9
337.25150	52.4
337.28574	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	337.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.8
54.09912	0.6
55.01841	2.1
55.05518	20.8
55.05775	0.8
57.03442	10.7
57.07078	3.5
59.04994	0.7
65.03919	1.9
67.05511	42.2
68.07652	0.6
69.03391	1.8
69.07072	24.7
69.76294	3.3
71.04993	2.9
71.08620	1.3
73.06526	1.7
79.05499	15.8
81.03383	0.9
81.07061	44.7
83.04997	3.5
83.08629	12.7
85.06522	2.2
91.05488	15.8
93.06499	1.0
93.07047	16.6
93.26514	0.5
94.04140	0.7
94.17368	0.6
95.04943	2.6
95.08614	42.1
97.06567	3.4
97.10177	6.9
99.08072	1.6
105.07036	14.5
107.04948	0.9
107.08598	12.4
109.02866	0.8
109.06530	4.1
109.10161	15.9
111.04444	2.0
111.08051	2.8
111.11691	1.5
112.05227	0.8
112.54586	0.6
113.06010	0.8
117.07027	4.3
119.04977	0.9
119.07819	0.9
119.08591	11.0
121.06502	9.1
121.09348	0.7
121.10151	8.3
123.04409	1.2
123.08109	3.8
123.11694	5.2
125.06008	3.5
125.09598	1.8
126.06736	2.5
129.07037	3.4
130.07808	0.9
131.08578	6.1
133.06464	3.2
133.10156	9.4
135.08070	8.3
135.11665	4.3
137.05946	3.5
137.09618	3.0
137.13200	1.9
139.07533	1.1
139.11157	1.4
142.07745	0.7
143.08582	3.0
145.06483	0.8
145.10114	6.0
147.08052	5.3
147.11726	4.7
149.09602	2.8
149.13252	2.4
151.07489	2.1
151.09760	0.6
151.11147	1.6
151.14792	0.8
157.10124	3.5
159.07999	1.2
159.11662	2.1
161.09631	6.1
161.13278	3.5
162.10394	0.8
163.11157	2.4
163.14755	2.2
165.09076	1.5
169.10094	0.9
171.11646	2.4
173.09508	0.7
173.13216	2.2
175.11208	4.9
175.14784	1.9
177.12764	2.4
179.10687	1.0
179.14314	0.8
183.11641	0.7
185.09526	0.9
185.13240	1.5
187.11243	1.1
189.12726	2.7
190.13585	1.7
191.14203	1.4
193.12238	2.2
199.11151	0.8
203.14313	1.3
205.15857	1.9
207.13789	4.3
208.14633	0.7
215.14319	0.7
217.19571	1.2
227.17955	2.1
233.15211	0.9
235.13364	1.0
237.14757	1.6
245.18991	2.3
245.22701	2.1
259.20599	3.0
263.16409	3.6
263.23712	3.9
273.18500	6.3
277.21646	3.4
287.20142	3.2
305.21127	100.0
306.21460	0.9
323.22183	3.2
337.27396	70.4
352.34860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	1,15-Dihydroxy-12-oxo-2,6,13-phytatrien-19-al
Peak:m/z	Relative Intensity
53.03942	2.4
55.01863	2.5
55.05510	11.1
56.96564	3.1
57.03434	11.6
59.05004	5.2
65.03937	2.9
67.05508	34.6
69.03429	1.5
69.06726	2.0
69.07072	20.9
70.14424	3.7
71.05002	7.6
73.06558	8.3
73.70970	0.9
76.48228	1.0
79.05499	20.5
81.07063	22.5
83.04996	3.0
83.08617	4.3
85.06539	9.5
91.04970	1.8
91.05484	18.3
93.07053	20.1
95.04968	19.7
95.08607	15.0
97.06532	4.6
97.10182	2.1
98.97599	2.6
99.08097	100.0
103.05449	1.3
104.34455	1.3
105.07041	15.5
107.04949	4.8
107.08588	15.9
108.05711	1.0
108.12917	1.1
109.05799	1.9
109.06519	29.8
109.10146	4.1
111.08074	1.9
113.06009	1.6
115.05480	1.2
115.07616	1.1
117.06995	8.2
119.08585	11.9
121.06486	5.8
121.10150	9.7
123.08076	10.8
125.09660	2.6
126.07867	1.1
127.07564	14.8
128.06277	1.4
129.07008	4.6
130.07811	1.5
130.32648	1.2
131.08563	15.3
133.06522	2.0
133.10114	7.6
135.08069	17.5
135.11699	4.5
137.05922	1.5
137.09618	3.3
139.07549	1.3
141.06987	2.1
141.09100	4.6
143.08502	5.6
145.10133	11.4
147.08035	6.1
147.11662	5.1
149.09610	6.8
149.13280	2.7
153.09081	2.4
155.08525	1.1
155.10742	1.2
157.10152	7.8
159.08034	2.0
159.11720	7.5
161.09598	8.1
161.13258	1.4
163.11208	6.6
167.10675	2.3
169.10233	2.1
171.11713	3.1
173.09567	2.1
173.13301	3.0
175.11145	3.1
177.12781	3.1
181.10089	1.4
183.11696	4.2
185.13313	1.2
187.13245	1.3
189.12718	1.7
195.11758	2.2
199.14848	2.3
201.12791	3.4
201.41611	1.0
209.13223	1.4
213.12746	2.1
213.16470	1.5
217.15799	5.3
227.18007	1.6
233.15440	3.4
237.16344	3.7
245.18996	1.7
249.18506	2.1
255.17415	7.2
273.18518	26.1
275.19980	1.5
277.21655	1.4
279.19537	4.5
281.21017	2.0
287.16348	1.2
287.20081	3.4
305.21094	34.8
305.24609	1.7
319.22705	13.2
337.23691	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	337.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01878	6.2
55.05517	30.4
57.03445	11.6
57.07077	2.1
67.05508	62.8
69.03429	6.2
69.06741	1.3
69.07074	18.5
69.69947	6.6
71.04967	2.1
73.06544	1.4
76.23303	1.1
79.05504	20.7
81.03443	1.5
81.07065	63.0
83.04988	87.4
83.08616	6.2
85.06544	8.3
85.11062	1.0
91.05486	37.5
93.07046	30.3
93.62334	1.4
95.04966	5.8
95.08618	26.2
97.06521	3.0
97.10169	3.6
99.08084	3.5
105.07040	40.8
107.04970	3.4
107.07877	2.5
107.08604	43.5
109.06528	6.7
109.10162	59.9
115.07561	1.5
117.07047	2.6
119.08595	6.9
121.06509	5.4
121.10154	4.0
123.08089	3.0
123.11720	18.7
124.40067	1.2
125.09637	1.3
127.07624	1.3
129.07045	2.3
131.08591	4.1
131.21838	1.1
133.10138	97.9
135.08055	6.5
135.11699	2.0
137.09685	1.1
137.13263	2.4
141.09093	1.9
145.10100	3.5
147.08038	1.4
147.11668	3.2
149.09613	2.6
149.13249	1.3
151.11192	100.0
161.09625	4.0
161.13260	2.4
162.98241	1.3
163.07555	2.4
165.12816	1.3
171.11726	1.8
175.11235	2.4
175.14914	1.8
179.10703	10.7
183.12180	1.9
183.13820	30.9
185.13304	1.4
191.14337	2.3
211.13271	1.7
229.14333	3.3
245.22620	1.8
255.17493	1.7
257.89102	1.2
273.18509	11.8
287.16422	2.7
305.17725	2.3
305.21042	12.3
337.20203	3.2
337.27393	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	336.1918
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
67.05499	1.3
69.03450	0.6
70.06597	3.3
71.54517	1.2
72.08140	0.9
79.05519	1.1
81.03436	1.0
81.07057	1.7
81.25842	0.6
84.08146	0.8
85.02940	1.0
86.09709	100.0
88.07652	1.0
91.05468	1.4
93.07078	1.7
95.08606	0.8
96.05373	0.6
96.41853	0.6
98.97589	1.2
103.05475	2.2
104.07111	0.9
105.43204	0.6
107.04970	0.9
109.02874	0.7
120.08111	74.1
121.10154	0.7
131.04950	1.2
132.10213	2.1
137.05986	0.9
143.11803	82.2
149.06004	0.9
157.12175	0.9
166.08652	33.0
171.11298	22.0
177.10236	11.8
205.09702	2.5
214.24472	0.6
227.34433	0.7
278.90356	0.7
279.17026	1.4
301.16199	0.8
336.25284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
56.81192	1.0
58.06592	1.0
69.25414	1.0
69.63502	5.1
69.63909	2.2
74.09700	1.4
75.49751	1.1
92.20312	1.0
95.14046	1.0
101.06638	1.0
133.03433	2.2
159.06818	1.1
177.07848	1.5
181.56615	1.0
200.07690	1.6
201.07823	5.4
215.09407	1.5
219.08900	2.7
247.40578	1.0
269.40723	0.9
276.12857	1.2
277.13126	7.8
288.10336	1.1
295.08707	1.7
337.08960	100.0
338.09274	1.4
357.53488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	12.4
58.93699	1.9
70.98115	8.1
71.04980	3.7
77.35210	2.0
84.96040	2.1
97.02911	1.9
98.97588	30.8
110.97568	9.4
112.99142	5.8
116.98616	6.1
124.95471	3.5
127.35062	2.0
128.83508	1.7
128.98592	8.2
131.00168	3.4
140.98637	2.5
146.99672	5.2
152.98586	2.8
158.99664	5.3
170.96040	5.5
175.02765	2.3
177.00671	1.8
184.97653	2.2
187.63177	2.2
188.97069	5.1
189.00764	3.4
202.98732	3.1
212.97110	2.3
219.01758	11.7
230.98140	7.9
237.02847	8.9
244.99609	9.3
263.00781	15.4
274.83844	2.3
277.02457	3.8
277.05743	3.9
295.06976	16.3
337.08890	100.0
355.09308	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.3
69.03450	0.6
70.06597	3.3
71.54517	1.2
72.08140	0.9
79.05519	1.1
81.03436	1.0
81.07057	1.7
81.25842	0.6
84.08146	0.8
85.02940	1.0
86.09709	100.0
88.07652	1.0
91.05468	1.4
93.07078	1.7
95.08606	0.8
96.05373	0.6
96.41853	0.6
98.97589	1.2
103.05475	2.2
104.07111	0.9
105.43204	0.6
107.04970	0.9
109.02874	0.7
120.08111	74.1
121.10154	0.7
131.04950	1.2
132.10213	2.1
137.05986	0.9
143.11803	82.2
149.06004	0.9
157.12175	0.9
166.08652	33.0
171.11298	22.0
177.10236	11.8
205.09702	2.5
214.24472	0.6
227.34433	0.7
278.90356	0.7
279.17026	1.4
301.16199	0.8
336.25284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03947	3.6
55.05521	18.7
55.27250	3.0
57.03440	18.8
57.07089	3.2
65.03932	4.7
67.05513	78.0
69.07085	13.6
69.10480	2.6
70.81271	7.8
79.05502	35.7
81.06598	3.7
81.07067	62.0
83.08611	4.7
91.05486	19.9
93.07059	34.6
95.04971	3.3
95.08614	56.1
95.09538	3.0
105.04532	3.2
105.07037	14.2
107.08620	21.9
109.10142	17.1
114.80828	2.8
117.07026	4.4
119.08592	5.6
121.10134	14.2
123.11705	10.3
131.08597	6.4
133.10167	6.3
135.11691	11.3
147.11641	6.9
149.13297	6.3
157.38307	2.9
163.14818	3.0
261.22208	8.6
268.78391	2.7
280.06393	2.8
290.16302	2.9
335.25836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.1
56.96568	12.3
57.03430	3.8
59.54411	2.7
67.05511	10.5
69.07070	7.9
69.98160	6.4
69.98557	7.8
79.05489	4.7
81.07064	9.5
86.28963	2.9
91.05511	6.2
93.07090	4.7
95.04978	2.8
95.08627	9.7
97.06511	4.0
98.97588	5.8
107.04964	6.9
107.08585	3.1
119.08585	3.5
161.66754	2.4
162.03143	5.7
163.03992	4.9
178.18535	2.8
190.02621	9.9
208.03654	5.0
222.81422	2.8
223.06026	100.0
223.08212	5.0
270.91357	4.0
282.08295	3.5
288.92188	8.7
312.99942	4.9
336.22220	26.8
336.26071	6.2
336.29990	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.04121	0.6
51.02385	0.7
51.41989	0.8
53.03939	3.0
55.01871	1.3
55.05272	1.2
55.05517	17.6
57.03160	0.9
57.03440	17.3
57.07066	1.6
60.52902	0.6
65.03947	3.0
65.28394	0.7
67.05509	63.2
69.03409	0.9
69.07071	15.7
70.53384	1.8
70.53734	1.0
71.04990	1.3
71.08645	0.8
79.05497	31.9
81.07061	56.8
83.04971	1.7
83.08631	6.9
85.06549	1.5
91.05491	16.3
93.07048	35.3
95.04983	2.4
95.08611	45.9
97.06538	2.8
97.10187	2.3
98.98473	1.7
102.24595	0.7
105.07037	9.0
107.08602	18.1
109.06509	1.7
109.10163	17.4
111.08120	1.1
111.11702	0.8
117.07032	2.8
119.08589	7.6
121.10152	12.5
123.08106	1.9
123.11682	5.5
131.08559	4.4
133.10133	6.1
135.11708	8.0
137.09602	0.7
145.10144	5.0
147.11691	2.9
149.13251	4.2
159.11731	2.2
161.13249	2.3
163.14836	1.3
172.69919	0.7
173.13306	2.5
175.14888	2.1
187.14861	1.3
191.14310	1.2
205.16156	0.8
219.32007	0.8
243.21156	2.5
261.22208	3.6
285.87448	0.8
335.21936	22.3
335.25827	100.0
336.26190	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
54.78291	0.4
55.01865	0.5
55.05509	2.8
56.96569	0.5
57.03444	4.1
57.07067	0.7
65.03941	0.6
67.05507	11.7
69.07066	3.0
71.04994	0.6
71.55023	0.5
77.78376	0.4
79.05496	7.1
81.07059	11.8
83.04997	0.6
83.08633	1.0
87.05608	0.5
90.10555	0.4
91.05489	3.8
93.07047	8.1
95.04983	0.8
95.08611	10.2
96.08945	0.4
97.06577	0.6
97.10159	1.0
105.04535	0.4
105.07037	3.4
107.08603	5.2
109.06527	0.6
109.10180	3.6
109.76055	0.5
117.07009	0.6
119.08590	2.4
121.10132	4.6
123.08054	0.5
123.11708	1.7
123.52888	0.5
131.08565	1.7
133.10150	1.9
135.11673	2.9
137.13295	0.6
145.10138	1.7
147.11674	1.1
149.13295	1.5
157.10123	0.4
159.11752	1.2
161.13280	1.1
163.14725	0.6
164.07848	0.4
173.13278	0.8
185.44049	0.4
191.14320	0.5
219.13889	0.4
243.21065	2.1
261.22171	1.9
317.24680	0.8
335.21930	100.0
335.25818	21.2
336.22128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	8alpha,13R-Epoxy-14-labden-19-oic acid
Peak:m/z	Relative Intensity
55.05267	0.7
55.05515	7.7
57.03427	1.7
57.07083	2.5
64.15779	0.4
66.79778	0.5
67.05182	0.9
67.05510	10.8
69.03433	1.0
69.07072	6.6
69.66179	3.3
71.04976	1.2
71.08627	2.2
73.06557	0.9
73.82159	0.5
74.32397	0.5
79.05502	6.4
81.06592	0.8
81.07061	13.8
81.63963	0.6
83.04973	1.0
83.08623	3.6
85.06532	1.7
91.05499	4.0
93.07054	9.7
95.04939	1.0
95.08610	13.8
97.06563	1.3
97.10162	1.4
97.20319	0.6
99.08079	1.9
105.07051	3.7
107.08593	5.5
108.71294	0.6
109.06522	10.6
109.10172	4.7
111.08088	2.0
117.07017	0.6
119.08599	4.8
121.06446	0.9
121.10148	5.4
122.07281	1.1
123.08074	43.8
123.11708	1.7
131.08589	1.6
131.62845	0.6
133.10149	2.6
135.08066	3.9
135.11684	2.0
137.09607	4.2
137.13229	1.0
139.11186	2.0
145.10150	1.7
147.11723	1.0
149.09628	2.0
149.13361	1.3
151.11203	7.1
151.14885	0.5
159.11667	1.1
161.13248	1.1
163.11244	0.5
165.12807	1.4
167.14287	1.1
173.13284	1.0
175.14812	0.5
177.12859	0.7
179.14323	35.3
180.14682	0.6
187.14883	0.8
193.15945	0.9
205.15903	0.9
235.16983	0.7
242.37379	0.5
243.21097	0.8
247.16942	0.9
261.22131	1.4
275.23785	0.9
278.76614	0.6
279.19495	5.9
289.21866	0.7
303.23236	5.2
310.20700	0.6
317.24829	0.6
335.25824	100.0
336.26178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
56.96558	1.6
57.03436	0.6
67.05507	3.5
68.74945	0.5
69.07067	1.5
69.17117	2.6
69.17538	2.3
79.05492	2.2
81.07060	3.3
83.04968	0.7
83.08605	1.0
91.05476	2.5
91.58668	0.5
93.07046	2.4
95.05013	0.8
95.08600	3.3
98.97604	1.4
105.07040	3.0
107.08588	2.7
109.10155	1.6
119.08610	1.7
121.10160	1.7
123.07940	0.7
123.11701	1.0
131.08592	1.4
133.10147	1.7
135.08043	0.5
135.11673	0.6
137.05995	12.6
137.06964	1.0
138.06375	0.7
143.08517	0.6
145.10152	1.1
147.11739	0.7
149.09682	0.5
159.11702	1.1
173.06581	0.6
203.09618	0.5
243.21129	0.6
256.11111	0.7
275.13379	0.7
275.20001	0.7
293.13956	0.6
317.21121	0.6
335.21942	100.0
335.25342	3.6
336.22412	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73606	0.9
55.05496	1.7
56.96558	1.7
57.03429	2.0
57.07076	1.0
67.05500	6.4
69.07056	3.0
71.54678	1.2
79.05486	3.2
81.07056	6.7
91.05473	3.7
92.33024	1.0
93.07044	4.8
94.07421	1.1
95.04927	1.1
95.08594	3.9
98.97533	1.2
105.07009	3.3
107.08575	3.3
109.10154	2.4
117.06981	1.3
119.08596	2.8
121.10101	2.4
123.08069	0.9
131.08513	2.1
133.10141	1.9
135.11684	1.4
145.10158	1.3
147.11757	1.3
149.13210	1.1
157.10101	1.2
159.11693	1.6
161.13239	1.4
165.12735	1.8
171.11632	1.3
317.21194	1.1
335.21933	100.0
335.25699	6.2
336.22122	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
50.33481	0.5
54.97918	0.4
55.05505	0.7
56.04072	0.6
67.05514	0.7
69.07069	0.6
69.69891	2.2
71.02327	0.4
79.05487	0.5
81.07053	0.8
85.95621	0.5
86.03967	0.5
91.05496	0.7
93.07056	1.1
95.08585	1.0
98.20779	0.5
100.44007	0.5
105.06995	0.8
107.08582	0.9
109.06525	0.7
119.08553	0.4
121.10150	1.0
137.84323	0.4
206.18359	0.4
236.08205	0.6
309.27383	0.4
317.20721	0.7
335.21921	100.0
336.22202	1.6
346.86526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00884	1.4
53.03939	2.2
53.81273	1.0
54.03461	1.3
55.01882	1.4
55.05502	5.3
56.05034	3.2
56.96571	6.1
57.03427	3.7
58.06577	1.6
61.02925	1.8
67.05492	3.6
68.05025	4.9
68.12175	1.1
69.03425	11.8
69.07072	18.4
69.92097	3.0
69.92488	2.0
70.06598	8.1
71.05001	2.4
72.08163	3.1
73.02893	1.5
74.06087	2.4
76.06789	1.1
77.20354	1.1
79.05477	4.9
80.05025	2.0
81.03409	5.3
81.04549	5.8
81.07074	6.6
82.06583	4.4
83.05010	1.9
83.08624	2.8
84.04498	5.5
84.08146	4.5
85.02911	14.6
85.35695	1.3
86.06058	1.9
86.09701	4.2
87.00831	2.8
87.08110	2.5
88.07630	7.4
91.00188	1.4
91.05471	3.9
93.07034	2.3
94.06564	3.3
95.04956	2.7
95.08596	2.2
96.04514	9.2
96.08128	2.1
97.02889	12.2
97.06543	3.2
97.08937	1.5
98.21529	1.3
98.90203	1.2
98.97588	14.3
99.04459	3.8
105.03384	2.4
105.33445	1.4
107.04967	3.2
107.08624	1.3
108.05604	55.9
108.06342	2.8
108.08132	6.8
109.02879	3.4
109.10153	3.3
110.07170	4.3
110.09689	6.8
110.97568	2.8
111.04455	3.5
112.07627	6.8
115.07564	3.1
116.07139	1.5
116.98627	4.8
118.06550	2.8
119.04926	1.9
119.08623	1.7
120.08105	1.8
122.09661	1.3
123.05547	9.1
124.07590	3.2
127.03918	9.7
128.98599	2.6
129.10216	2.7
130.06525	2.6
132.08064	5.9
136.05173	1.4
136.07547	1.7
136.11214	7.9
137.06000	2.3
137.09647	1.8
138.05437	1.9
138.06357	2.3
138.09117	8.3
139.03906	1.7
143.00165	1.2
143.07184	1.5
144.08066	2.9
145.04970	2.4
146.06027	8.0
147.54507	1.6
152.06891	1.3
154.06122	100.0
154.12265	27.9
155.10649	2.3
158.06007	1.5
158.99684	3.4
159.08000	1.6
161.01236	1.9
163.03902	28.3
164.04268	1.7
170.05910	1.3
173.10692	2.9
175.08676	5.1
177.00739	2.4
179.03445	1.6
182.08455	1.2
183.03036	1.4
188.07068	11.6
188.11887	1.4
190.13408	1.4
191.05721	2.9
194.05672	2.4
198.07803	1.3
215.11742	1.6
219.01714	3.6
221.09256	2.4
225.10338	2.3
229.09631	1.6
231.04936	2.1
234.12367	3.6
237.00734	1.4
237.02840	4.7
241.09868	1.6
243.05338	2.2
243.11197	3.1
245.09192	2.4
253.00119	1.6
254.08025	1.5
257.09299	2.4
271.10785	6.0
273.12851	1.4
287.10312	17.7
288.11157	1.8
289.11807	4.7
291.14474	16.1
299.10410	5.7
317.11349	19.0
317.14926	1.4
335.12369	10.5
335.16696	13.0
336.16589	1.2
345.08615	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	335.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01873	2.5
55.05511	3.8
56.05039	3.2
56.96562	3.6
57.03429	8.9
57.07085	2.3
58.89975	1.7
59.91879	2.1
61.02924	2.7
67.05499	6.1
68.99782	2.2
69.03438	67.9
69.07075	100.0
70.04604	5.0
70.04987	3.6
70.06598	15.9
71.05009	10.0
72.08158	6.7
74.06087	2.4
79.05498	3.7
79.23444	2.0
81.03426	43.4
83.04976	3.9
84.04512	3.9
84.08140	6.3
85.02914	50.5
85.06556	2.2
86.09705	13.0
87.00830	17.5
87.08112	27.3
87.10050	2.7
88.31027	1.9
89.77880	2.0
91.05488	2.3
93.07031	4.0
95.08598	4.3
97.02904	47.5
97.06536	8.2
98.97601	4.3
98.98418	1.7
99.04465	22.1
101.06028	2.0
103.03966	4.1
105.01865	4.6
105.07017	2.9
107.04935	2.1
107.08609	3.2
109.02898	34.2
109.10149	3.1
110.07173	4.7
111.04469	4.9
115.07575	31.3
116.98649	2.0
119.08617	2.2
120.08178	2.2
121.10098	2.6
121.38303	1.9
123.05610	9.4
124.07625	3.3
127.03933	72.8
129.10251	4.2
130.06514	5.3
132.04457	1.7
133.10168	3.1
137.06006	2.3
138.05524	2.6
142.08652	9.0
143.08653	2.0
145.04971	7.9
145.06572	1.8
146.05949	2.3
150.05557	2.2
155.10692	4.3
157.07622	8.2
157.13387	2.6
158.06020	2.7
166.04909	2.5
170.08250	2.1
171.10184	2.5
173.13287	2.4
175.08708	4.6
177.00690	2.2
178.04996	2.4
189.04013	3.3
191.14268	3.8
193.04994	4.5
195.10199	3.6
201.04218	2.4
203.08214	4.7
213.03987	4.4
213.11215	4.1
221.09187	2.8
227.08600	2.3
231.05038	28.1
243.11191	3.1
263.12970	2.2
271.10721	4.2
273.12628	2.4
287.10275	25.5
289.11945	5.2
299.10535	11.3
317.11380	33.2
317.15024	11.2
330.61914	2.3
335.12280	8.7
335.15717	3.3
335.19092	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.7
56.96562	4.6
60.04530	1.9
62.49787	1.2
67.05490	1.5
69.03420	5.3
69.04541	3.2
69.07063	2.4
69.48694	5.9
69.49100	3.6
70.06582	2.6
72.08144	2.5
73.02896	1.9
73.04170	1.3
73.06571	2.2
74.06068	2.0
80.05013	1.7
81.03416	3.3
84.04525	2.4
84.08126	1.8
85.02916	8.4
86.09697	5.5
87.10041	2.2
93.69267	1.6
97.02893	16.0
97.06585	1.6
98.97594	10.5
98.98472	5.4
99.05606	1.7
101.00877	3.6
101.07137	3.3
105.75660	1.2
109.02878	1.8
109.10117	1.5
110.06072	1.5
110.97560	1.6
111.04480	1.4
112.99106	1.8
113.00853	3.2
114.91336	1.6
115.73094	1.2
116.07156	1.3
116.98636	5.1
119.01914	4.6
121.02887	8.6
123.05559	48.8
124.07612	1.9
125.07915	1.9
127.03931	6.9
128.10732	1.5
128.98628	2.5
129.10234	1.6
130.06531	100.0
131.00139	1.5
131.01904	4.3
132.04456	21.9
133.03435	1.6
137.06003	1.6
138.05481	4.9
143.00185	1.6
143.04549	1.4
145.03419	1.6
145.05020	1.4
145.07617	2.2
146.06003	4.6
149.01083	1.4
149.06612	2.8
155.01859	2.2
155.06029	4.4
156.06529	2.6
157.07608	35.1
158.06020	13.2
159.05038	2.6
159.09160	3.9
169.07605	3.5
171.04984	2.8
172.07234	1.4
173.06744	11.8
174.05493	4.3
175.08624	7.2
177.00739	3.5
177.06099	2.3
180.06645	1.7
181.07689	2.3
182.99577	2.0
185.06880	22.5
186.10504	1.7
187.08318	3.9
187.14426	2.3
188.14748	2.5
188.57411	1.4
191.07639	4.4
195.01828	1.5
197.07057	5.7
199.08391	1.9
203.07828	9.5
213.06401	2.0
214.09821	3.9
215.07965	5.1
219.01762	2.3
225.06604	10.9
227.07622	3.8
232.10809	12.6
237.02782	3.3
242.09242	6.1
243.07677	34.7
245.05009	2.8
260.10318	42.1
263.93716	1.4
272.10455	1.5
275.09674	10.2
278.11310	1.7
293.10828	17.7
299.11038	1.4
300.09784	9.7
317.06677	1.8
317.12518	21.8
335.07401	19.3
335.11874	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	335.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01873	2.5
55.05511	3.8
56.05039	3.2
56.96562	3.6
57.03429	8.9
57.07085	2.3
58.89975	1.7
59.91879	2.1
61.02924	2.7
67.05499	6.1
68.99782	2.2
69.03438	67.9
69.07075	100.0
70.04604	5.0
70.04987	3.6
70.06598	15.9
71.05009	10.0
72.08158	6.7
74.06087	2.4
79.05498	3.7
79.23444	2.0
81.03426	43.4
83.04976	3.9
84.04512	3.9
84.08140	6.3
85.02914	50.5
85.06556	2.2
86.09705	13.0
87.00830	17.5
87.08112	27.3
87.10050	2.7
88.31027	1.9
89.77880	2.0
91.05488	2.3
93.07031	4.0
95.08598	4.3
97.02904	47.5
97.06536	8.2
98.97601	4.3
98.98418	1.7
99.04465	22.1
101.06028	2.0
103.03966	4.1
105.01865	4.6
105.07017	2.9
107.04935	2.1
107.08609	3.2
109.02898	34.2
109.10149	3.1
110.07173	4.7
111.04469	4.9
115.07575	31.3
116.98649	2.0
119.08617	2.2
120.08178	2.2
121.10098	2.6
121.38303	1.9
123.05610	9.4
124.07625	3.3
127.03933	72.8
129.10251	4.2
130.06514	5.3
132.04457	1.7
133.10168	3.1
137.06006	2.3
138.05524	2.6
142.08652	9.0
143.08653	2.0
145.04971	7.9
145.06572	1.8
146.05949	2.3
150.05557	2.2
155.10692	4.3
157.07622	8.2
157.13387	2.6
158.06020	2.7
166.04909	2.5
170.08250	2.1
171.10184	2.5
173.13287	2.4
175.08708	4.6
177.00690	2.2
178.04996	2.4
189.04013	3.3
191.14268	3.8
193.04994	4.5
195.10199	3.6
201.04218	2.4
203.08214	4.7
213.03987	4.4
213.11215	4.1
221.09187	2.8
227.08600	2.3
231.05038	28.1
243.11191	3.1
263.12970	2.2
271.10721	4.2
273.12628	2.4
287.10275	25.5
289.11945	5.2
299.10535	11.3
317.11380	33.2
317.15024	11.2
330.61914	2.3
335.12280	8.7
335.15717	3.3
335.19092	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.69456	0.8
56.06125	0.7
65.03936	3.2
67.05504	3.2
68.28590	0.7
69.03420	1.1
69.07072	100.0
69.43217	5.6
79.05496	1.7
80.05016	1.4
80.41418	0.8
81.07050	5.0
92.05018	3.2
93.05782	0.9
93.07073	0.9
94.06562	4.4
97.06533	15.4
98.21552	1.4
98.97605	2.2
108.04498	1.6
109.10185	1.0
116.90215	0.8
117.07035	0.8
119.03698	1.4
120.04465	1.4
121.05228	1.6
122.06038	8.6
124.07594	2.5
125.06005	1.6
131.07304	0.9
133.10130	1.1
135.11748	0.8
137.05972	2.6
138.05510	5.5
140.07048	8.2
141.07855	1.2
143.08746	0.8
144.08133	2.3
145.08897	3.4
145.10052	1.4
146.09662	2.3
147.06741	0.9
148.03943	4.7
150.05507	73.6
152.03412	1.3
157.08861	2.8
159.10536	0.9
160.07654	1.0
160.11218	0.8
161.08394	3.0
162.09164	3.0
164.03395	1.4
166.05005	31.2
168.06569	1.8
172.07600	2.2
172.11243	5.9
173.08371	1.9
174.09177	1.7
174.12828	6.3
176.03403	7.4
178.05051	1.3
185.08420	1.8
186.07591	1.4
188.10764	1.0
190.08601	1.3
190.12292	3.7
192.02945	1.4
194.04556	2.7
200.10736	8.2
202.12227	7.5
215.11754	1.0
216.10312	3.5
218.08395	1.6
218.11758	27.8
225.10179	0.8
227.11873	1.2
228.10201	16.9
229.13412	2.2
234.11319	3.0
241.09784	1.0
243.11333	1.5
244.09866	1.4
245.12935	1.3
246.11250	24.7
254.08290	1.0
255.11256	1.7
256.09573	1.8
257.09241	1.3
261.08707	1.4
261.11847	0.8
269.09033	1.1
271.10760	5.0
272.09140	2.8
273.12347	3.1
274.10764	3.2
287.10184	5.6
289.11844	12.0
290.10229	2.1
291.13263	1.0
299.10263	7.7
317.11325	28.8
318.09891	1.1
335.12363	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41997	1.3
56.96590	5.7
60.71184	1.4
69.03423	5.0
70.06587	1.6
70.98125	2.2
71.41120	1.2
71.52071	1.2
72.08142	1.6
73.02931	1.6
81.03450	2.1
81.07070	1.2
81.25444	1.1
82.99845	4.6
84.08155	2.9
85.02911	5.8
86.09711	1.5
97.01411	1.7
97.02900	15.1
98.97595	7.0
98.98465	5.0
101.00890	30.8
110.97545	1.5
112.99133	4.6
113.00882	8.9
115.02472	8.3
116.98610	3.4
117.02184	3.1
119.01929	28.3
120.08097	3.4
123.05568	51.6
127.02431	2.8
127.05038	1.3
128.98596	1.6
129.03961	2.4
130.06538	4.0
131.00209	2.9
131.01920	19.2
131.05566	9.6
133.03485	14.8
135.03230	7.6
137.00842	3.3
137.02979	1.9
141.03925	1.5
143.01909	96.5
145.03490	8.9
145.04733	1.3
146.99675	2.9
147.01422	1.4
147.05042	4.7
149.06625	7.5
153.04202	1.4
155.01924	28.7
155.05580	4.6
156.02672	3.3
157.03506	5.1
158.06035	1.9
158.99733	1.8
159.05043	10.4
161.02969	90.1
161.04712	3.4
167.05612	2.4
169.03331	1.5
171.05026	4.3
172.97528	2.0
173.02994	21.4
173.06630	27.5
175.04539	2.6
177.00757	1.6
177.06044	6.7
179.05879	4.2
184.04619	2.7
185.03081	5.6
185.06618	31.5
187.08128	3.5
190.98608	3.0
191.07626	7.0
197.06801	3.0
199.06477	1.4
199.08235	2.4
201.05972	2.6
203.04012	10.1
203.07632	12.1
205.00191	2.4
209.06696	2.8
215.04143	1.5
215.07626	12.9
217.07443	1.3
219.01680	2.3
219.07164	2.9
221.05077	20.7
221.07101	2.0
223.01357	2.0
232.99776	4.3
233.05127	3.4
233.08757	3.8
243.07770	2.1
245.05188	3.5
257.08716	5.9
273.06427	2.8
275.06302	4.8
275.09741	40.2
291.07468	2.0
293.10837	100.0
294.11124	2.2
303.05719	1.8
307.09103	2.7
316.12643	2.6
317.05591	4.4
317.17682	1.3
335.07004	7.4
335.11868	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05501	1.4
56.96537	0.9
57.03422	1.2
57.89899	0.9
64.71844	0.9
65.03919	2.6
67.05505	5.0
69.03417	2.2
69.07071	99.3
69.81335	3.8
70.06577	1.5
72.08147	0.9
75.23313	0.8
79.05483	2.9
81.07041	3.6
83.04987	1.0
84.08131	1.4
85.02896	1.8
86.09676	3.3
86.38891	0.9
91.05479	4.0
92.04993	3.1
93.05743	1.4
93.07029	3.1
94.06555	4.0
95.04936	1.2
95.08607	2.5
97.02908	1.7
97.06533	17.9
98.05976	0.9
98.97581	4.2
104.04944	1.0
105.07030	2.7
107.08597	3.2
108.04489	1.0
109.02891	0.9
109.06516	1.2
109.10148	1.0
111.04464	0.8
117.07001	1.6
118.06557	1.6
119.08561	1.8
121.05209	1.1
121.10148	1.7
122.06049	10.5
123.05554	1.1
124.07579	4.1
125.05956	1.2
130.06526	11.5
131.22479	0.9
132.08072	1.4
133.10121	2.1
137.05995	1.9
138.05498	5.0
140.07042	7.2
142.04863	1.2
143.07324	1.1
144.08089	3.8
145.08887	2.1
145.10086	1.0
146.06027	2.9
146.09631	2.7
148.03929	2.9
148.07556	1.0
150.05508	100.0
152.03398	1.3
157.07660	1.3
157.08815	1.7
158.05994	3.7
158.09647	2.0
159.10417	1.1
160.07672	1.4
161.08347	3.4
162.09081	2.3
166.05006	33.9
168.06639	2.0
170.08208	2.9
172.07613	2.2
172.11195	3.3
173.08392	1.7
174.09178	1.7
174.12816	3.6
175.08636	3.5
176.03452	10.1
176.08951	1.1
178.05008	1.7
185.08385	1.3
186.07661	1.0
186.09160	1.1
188.07069	2.6
188.10751	2.5
190.12238	4.1
191.14366	1.1
194.04532	5.9
198.07802	2.3
200.07085	0.9
200.10739	5.9
202.12218	4.3
213.10182	2.4
215.08148	2.0
215.11850	1.0
216.10181	3.2
218.08092	1.3
218.11765	15.4
221.09290	2.2
222.09528	2.5
226.07277	2.0
227.11899	1.2
228.10294	10.4
229.13467	1.6
234.11218	2.9
240.74016	1.0
241.09650	2.6
243.11319	2.1
245.12729	1.9
246.11281	15.4
255.11130	1.1
256.09637	1.4
257.09183	2.2
259.10718	1.1
269.09210	2.2
271.10770	9.0
272.09076	1.6
273.03760	0.8
273.12274	3.3
273.18475	0.9
274.10565	1.8
281.36530	0.9
287.10275	36.3
289.11761	6.7
290.10214	1.4
291.13196	1.0
299.10306	6.9
317.11337	36.7
335.12408	20.3
335.16071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01874	0.8
55.05515	4.6
56.05033	0.9
56.96559	1.3
57.03431	1.3
61.02937	2.6
61.03176	0.6
61.95243	0.6
69.03436	6.9
69.07065	0.6
70.06579	2.0
71.05007	2.5
71.12361	1.1
72.08138	1.1
73.02901	1.7
78.08311	0.5
79.05493	2.5
81.03423	3.4
81.07063	13.5
83.08630	5.0
84.04500	1.0
84.08129	1.7
85.02916	17.5
85.06543	2.4
86.09715	2.1
87.04478	1.3
91.05470	0.9
93.07059	0.7
93.39631	0.6
97.02901	5.1
97.05243	0.9
98.06048	1.6
98.09715	3.3
98.97574	1.7
98.98523	0.7
99.04462	1.0
99.08096	2.0
104.05305	0.5
104.14640	0.5
108.08118	3.3
109.02879	1.7
109.06523	13.8
110.01340	0.5
110.06046	0.5
110.97567	1.0
111.08073	0.7
119.04960	0.5
120.08090	0.9
121.02886	2.0
124.07549	0.8
126.05569	0.8
126.09167	46.1
127.03934	3.2
127.07561	13.1
128.98549	0.6
133.06500	0.6
136.07607	1.5
136.60858	0.5
137.05998	3.0
145.04955	2.4
151.07530	0.8
154.08641	55.9
155.07045	29.0
172.09700	100.0
173.10042	0.9
185.04659	2.7
194.05270	1.6
203.05765	0.8
237.02806	1.1
253.07283	1.0
262.07767	0.6
266.07254	0.8
316.13803	1.4
334.08960	9.5
334.15039	1.5
341.16476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15732	0.9
56.05028	1.1
56.96561	12.1
61.02915	1.9
69.03452	4.1
69.60697	0.8
70.06596	1.4
70.98125	5.3
70.99838	1.7
71.53013	1.2
72.08144	1.7
73.02927	1.3
74.06067	0.8
74.87789	0.8
81.03413	1.6
82.99837	5.6
84.04508	1.0
84.08148	2.7
85.02903	6.2
85.06520	1.3
86.09709	2.1
86.99312	1.3
88.99154	1.7
94.99829	1.5
96.15194	0.9
97.01387	1.3
97.02888	9.9
98.97559	10.4
98.98463	1.1
99.04474	1.2
101.00884	34.5
102.00932	0.8
103.02418	1.3
109.02860	1.7
109.08422	1.5
110.07125	0.9
110.97578	2.4
112.99144	2.6
113.00864	8.8
113.04542	0.8
115.02442	15.9
116.98635	3.2
117.02178	4.9
119.01929	30.9
120.08125	3.3
121.01661	1.0
122.42406	0.9
123.05554	32.6
127.02419	3.6
127.03924	2.5
128.98607	3.1
129.03992	5.8
129.10324	0.9
130.06551	2.5
131.00189	3.4
131.01907	17.7
131.03609	1.1
131.05531	8.7
133.01755	1.8
133.03471	25.5
134.03601	1.6
134.99594	1.2
135.03178	8.9
136.06177	1.0
137.00867	2.8
137.02950	2.1
139.02469	1.3
141.03926	4.6
143.01904	100.0
144.02019	1.5
144.98131	1.5
145.01692	1.3
145.03462	7.8
145.05066	1.0
146.99631	4.0
147.01404	1.7
147.03181	1.4
147.05019	7.7
149.01253	1.3
149.06615	8.0
151.04538	1.5
153.04184	1.4
154.96533	2.6
155.01892	26.1
155.05487	4.9
156.02666	2.5
157.03485	4.7
159.01440	1.0
159.03146	1.1
159.05045	17.8
161.02968	81.5
161.04846	2.6
161.06593	2.3
162.03113	1.2
165.00764	1.5
167.01907	1.6
167.05615	2.2
169.03424	1.6
169.07054	1.0
171.01349	1.7
171.04965	4.4
172.97598	9.3
173.01384	2.2
173.02966	20.5
173.06607	29.7
174.99202	0.9
175.00883	1.3
175.02682	2.3
175.04474	2.1
177.00815	2.0
177.06114	10.7
179.05873	2.8
183.05011	1.0
184.04639	1.7
185.03001	5.2
185.04932	1.9
185.06606	28.7
187.02803	1.5
187.04503	1.3
187.08183	5.3
189.00743	1.0
189.02434	1.6
189.06212	1.1
190.98627	9.3
191.02306	1.7
191.07628	6.8
195.07123	4.6
197.06790	3.6
199.04503	1.0
199.08224	1.9
200.97093	1.8
201.00752	1.0
201.06129	3.8
203.02347	1.0
203.04068	11.5
203.07668	10.7
205.00223	4.2
205.03841	1.9
205.09303	0.8
208.99797	1.5
209.03310	1.1
209.06694	2.0
209.08650	1.8
214.98706	2.1
215.04115	1.7
215.05739	1.2
215.07663	14.0
217.05582	0.9
217.09274	1.4
218.98167	3.1
219.01747	3.3
219.07118	4.4
221.03125	0.6
221.05057	18.6
221.06876	1.1
223.01253	2.3
223.04778	4.0
227.04141	1.2
227.07703	3.3
229.03693	1.4
232.99741	9.9
233.03142	1.7
233.05098	11.3
233.08771	3.0
236.99178	1.2
238.68706	0.9
243.07588	1.3
245.05167	3.1
245.07191	1.7
246.05577	1.1
247.01299	1.1
249.08223	1.4
251.00868	4.3
257.08640	6.5
260.10239	1.2
263.06104	2.2
273.06485	4.0
275.00778	3.6
275.06201	9.4
275.09787	33.0
275.12790	1.7
289.09558	4.0
291.07593	2.5
293.01758	4.8
293.10818	92.4
294.11243	1.2
297.12292	1.7
303.05594	5.8
307.08371	8.9
316.12552	2.5
317.05112	5.5
317.13040	1.1
335.07184	6.1
335.11823	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33076	0.4
67.01163	0.4
69.62122	1.5
69.62525	1.0
71.13411	0.4
79.30387	0.4
98.21487	0.9
98.98463	1.3
103.50252	0.4
105.76925	0.4
116.07648	0.4
121.16666	0.5
136.11136	0.4
268.42068	0.5
292.85312	0.5
297.33987	0.5
333.20374	100.0
334.20532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01880	4.8
55.05275	1.4
55.05511	18.5
56.96568	16.0
57.03439	26.9
57.07061	1.8
65.03936	6.5
67.05505	100.0
69.07066	15.4
69.90654	4.2
71.04968	1.5
71.95241	3.0
73.02906	2.8
77.03899	1.2
79.05493	61.3
81.03398	1.3
81.07054	73.2
83.04975	1.6
83.08610	5.7
84.96042	1.3
89.42486	0.8
91.05479	33.9
93.07043	57.0
95.04968	5.5
95.08606	56.6
97.10172	1.8
97.96793	1.5
98.97568	0.8
98.98462	3.0
103.03912	2.6
105.00141	1.2
105.04512	1.1
105.07030	18.5
107.04914	1.0
107.07880	1.5
107.08590	27.0
109.06499	2.4
109.09476	1.6
109.10154	22.5
110.97569	10.8
117.07014	3.8
119.08581	15.1
121.06544	0.9
121.10146	16.1
123.08077	1.2
123.11700	6.7
128.98604	7.4
129.04514	1.4
129.05481	28.0
129.06979	2.1
131.08565	6.1
133.10126	12.5
135.11690	11.4
137.09572	1.0
137.13223	1.2
143.08560	1.5
145.10097	3.8
146.99672	3.0
147.11682	5.0
149.13290	4.9
151.11131	1.6
157.10095	1.3
159.11659	2.8
161.01222	1.3
161.13222	4.1
163.14804	0.9
171.11655	1.2
173.13255	2.8
175.14763	2.3
177.12784	1.3
185.13231	1.4
191.05870	0.9
199.14740	1.5
217.19481	2.0
231.21060	1.8
241.19572	3.3
263.09549	2.6
265.10886	1.1
315.12607	2.1
315.16278	37.1
331.15762	1.7
333.17487	48.4
333.24182	96.0
334.17892	1.2
334.24380	1.2
351.18387	8.9
356.18979	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	334.1399
Annotation	Oglufanide
Peak:m/z	Relative Intensity
55.05518	1.0
55.39312	0.4
56.05041	1.1
56.96565	0.5
57.03428	0.4
60.04533	0.4
61.02937	0.5
67.05494	0.7
69.03436	1.0
69.07069	0.5
69.71976	2.2
70.06590	2.9
71.04991	0.5
72.08163	0.8
79.05504	0.5
80.05023	0.4
81.03416	0.7
81.07073	0.5
83.08642	1.2
84.04510	23.9
84.08147	0.4
85.02928	2.1
86.09698	3.0
88.02156	0.3
88.04008	0.5
91.03960	0.5
91.05490	4.2
92.05842	1.1
93.07040	0.6
95.08617	0.4
97.02917	1.0
98.97615	0.9
98.98448	0.5
102.05517	0.4
106.05030	0.7
110.97576	0.5
115.05472	0.9
116.07091	2.3
116.98653	0.6
117.07042	1.5
118.06551	13.6
120.08136	1.7
122.95948	0.4
129.06621	0.9
130.05020	5.5
130.06491	2.8
131.65393	0.4
132.08090	6.5
132.09021	0.5
142.06544	2.1
143.07309	1.7
144.08086	11.2
146.06018	55.2
157.13441	1.0
158.06079	0.5
159.07843	0.6
159.09177	12.5
160.07576	1.0
162.05540	1.0
169.07585	0.5
170.06013	4.4
177.05472	0.4
185.12920	0.5
187.08698	0.6
188.07074	100.0
189.07417	0.6
193.12285	0.8
194.13406	0.4
205.09732	27.9
208.13326	0.9
211.13274	1.4
225.08075	0.6
225.10231	9.5
226.14365	0.9
231.09712	0.4
235.10007	0.5
237.02866	0.6
243.10712	0.5
257.09311	0.4
271.10742	2.0
272.14893	1.0
287.10168	0.4
288.11142	0.4
290.15912	1.0
299.10315	0.6
306.44019	0.4
316.12708	1.4
317.11346	4.2
334.14053	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.77054	0.3
56.96551	0.3
57.03437	0.5
57.07058	0.3
59.04970	0.3
67.05490	1.5
69.07063	0.6
69.33781	2.0
69.34187	0.7
79.05499	1.8
81.07052	1.6
83.04998	0.4
88.07649	0.6
91.05482	1.2
93.07050	1.6
95.04958	0.4
95.08598	0.9
95.79273	0.3
98.21511	0.3
98.98468	3.9
102.60086	0.3
103.03783	0.3
105.07007	1.8
107.08599	3.1
109.06509	0.5
109.10160	0.7
113.34660	0.3
117.07098	0.4
119.08614	1.0
121.10149	0.7
123.08077	0.6
125.09632	0.5
129.05383	0.4
129.07028	0.3
131.08534	0.6
133.10126	0.6
135.08047	1.6
145.10158	0.4
147.77203	0.3
151.07520	0.4
153.09120	1.1
157.10129	0.4
159.11786	0.5
163.11162	0.3
176.98943	0.6
181.12250	0.4
201.09644	0.4
227.11333	0.6
239.11397	0.3
245.12222	0.5
248.27850	0.3
257.12286	0.5
259.13126	0.6
259.20508	0.5
315.19189	1.3
315.22772	0.4
333.20383	100.0
334.20712	0.9
334.29504	0.8
351.20197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01872	2.6
55.05503	6.7
56.96566	8.5
57.03248	1.3
57.03447	14.2
59.05002	1.7
59.17675	1.4
61.02937	7.8
67.05502	6.8
68.59187	1.4
69.03443	7.0
69.07070	6.5
70.06605	7.5
71.04991	16.0
71.54372	2.6
72.08123	2.3
73.02912	6.9
74.17766	1.4
79.05509	10.0
81.03408	7.3
81.07057	12.8
83.04990	5.4
83.08609	3.2
83.14944	1.7
84.04501	4.4
84.08154	2.0
85.02916	21.2
85.06541	1.6
86.09708	12.1
91.03974	4.0
91.05460	8.4
93.07051	30.2
95.04951	7.9
95.08617	13.0
97.02892	10.1
97.06530	6.8
97.87576	1.6
98.97593	7.9
98.98478	21.5
99.04447	2.6
99.08076	4.1
105.07043	8.0
105.26641	1.6
107.04970	1.9
107.08604	32.2
109.02887	2.3
109.06520	4.1
109.10162	5.0
110.97571	2.3
111.04443	2.0
112.99125	3.8
113.06013	5.1
116.98605	4.3
119.08571	5.4
120.08102	3.3
121.06509	1.8
121.10152	2.5
127.03943	5.2
129.10245	2.7
130.06531	20.2
131.00171	6.2
131.08586	3.1
132.04446	5.0
132.08092	3.9
133.10150	7.7
134.04877	1.8
134.10503	2.7
135.11691	31.8
137.02376	1.6
137.05989	5.4
143.05414	8.4
144.08115	4.7
145.10130	2.6
146.06010	6.4
147.08153	1.8
147.11638	2.3
149.01212	8.2
152.05995	2.7
153.12741	10.0
156.06166	2.0
157.07632	18.1
157.10139	2.0
158.06041	21.5
158.09622	1.8
158.99689	4.2
160.07620	3.3
162.06255	1.8
167.02313	2.2
167.07091	4.3
168.08139	2.3
169.07637	15.6
170.08163	5.2
171.06693	13.8
171.08105	2.6
171.13831	5.0
172.07628	1.7
173.12820	2.1
175.08705	18.1
175.11218	1.7
176.98984	3.4
177.00636	2.7
179.06346	1.7
180.07239	10.1
185.07137	2.7
193.12209	2.7
194.12534	3.0
196.07590	1.8
197.06900	1.8
201.00739	1.6
203.08176	24.9
206.07137	2.0
211.11272	1.5
211.13353	2.9
213.10378	8.0
215.08049	1.5
215.11803	3.4
219.07472	1.5
221.09224	14.2
241.09779	16.6
252.09392	77.0
252.59575	9.9
259.10822	26.5
267.09052	6.5
269.09494	1.7
269.12851	4.1
285.10193	10.5
287.10168	2.7
301.65906	1.6
303.05069	1.9
315.10254	3.5
315.13379	100.0
316.13690	2.2
324.11646	2.4
333.05887	2.7
333.11649	20.7
333.62079	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	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.89685	1.4
53.03940	3.9
55.01871	3.3
55.05498	6.0
56.96574	2.0
57.03437	8.5
57.07074	18.0
59.05012	10.5
60.04522	2.5
60.62504	1.3
61.02929	9.2
65.03928	1.8
67.05509	10.7
69.03098	1.7
69.03436	27.2
69.07078	12.0
69.52670	3.0
69.53088	7.5
70.06591	4.9
71.05000	7.2
72.08162	1.9
73.02906	4.5
79.05489	4.6
81.03414	13.1
81.07053	12.4
83.01339	1.6
83.04971	3.3
83.08614	4.6
84.08129	2.5
85.02908	70.2
85.06542	11.4
86.09710	12.7
87.04453	4.6
87.05582	1.7
87.10023	3.8
91.03951	2.3
91.05480	3.8
93.07062	9.2
95.04958	5.3
95.08609	44.7
97.02895	22.9
97.06532	10.5
98.06061	10.6
98.97587	5.3
98.98460	14.5
99.04456	6.3
99.08099	20.3
100.98900	1.3
103.05464	1.8
105.07024	2.0
107.08617	13.4
109.02905	7.9
109.06538	8.7
109.10171	19.7
111.04449	2.5
111.08089	11.3
111.11726	2.4
112.99202	1.3
113.09644	51.9
116.98626	1.7
119.08572	2.2
121.06540	1.6
127.03921	15.5
127.10308	2.3
127.11201	36.9
130.06529	32.2
131.00186	1.4
131.08591	1.7
132.22726	1.2
133.10095	1.6
135.11699	17.1
137.06006	2.1
137.13249	2.2
141.05528	2.0
145.04968	17.7
146.05997	3.3
147.11742	1.7
153.09216	2.3
153.12752	100.0
155.14323	9.3
158.06058	12.7
158.08150	5.4
167.07024	1.9
171.06714	2.4
171.13817	57.3
173.12891	7.1
174.13161	8.8
176.09204	4.0
176.98920	1.8
180.07220	1.5
185.04871	2.0
186.07890	1.9
195.13814	1.9
197.05002	1.8
201.12378	2.7
202.12666	3.8
203.05933	2.4
212.09511	2.6
213.10222	3.4
213.14877	3.3
215.05931	6.4
219.01778	1.7
226.11035	3.1
227.11810	5.3
228.10222	2.8
252.09470	5.9
255.11279	4.9
258.10165	2.5
269.19098	1.5
270.09995	7.6
272.11636	5.8
273.12366	4.4
283.10812	3.1
297.16791	1.7
301.11819	42.2
315.13358	3.8
315.19800	5.5
333.14386	25.4
333.18991	11.6
333.24548	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	333.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63575	0.3
62.97944	0.3
64.64726	0.3
69.03405	0.4
69.85703	1.2
69.86106	0.6
71.47945	0.3
86.52681	0.3
98.98466	1.0
99.45893	0.3
125.20158	0.3
130.06483	0.4
159.09082	0.3
162.05507	0.4
171.09972	2.1
315.13412	0.6
333.15201	100.0
334.15601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.6
55.01799	0.9
55.05410	2.8
55.05712	1.0
56.96463	25.0
56.96780	7.3
57.03334	3.0
57.03638	0.9
57.07005	0.8
59.13071	0.4
65.03831	1.1
65.04134	0.6
67.05393	15.9
67.05798	3.3
69.06954	2.2
69.07362	0.8
69.16159	3.6
69.16573	1.1
71.70358	0.4
71.95150	5.6
71.95583	0.9
72.95929	1.8
73.02838	0.4
74.97538	1.0
79.05374	9.7
79.05883	1.5
80.92413	0.4
81.06934	10.9
81.07458	1.5
83.04889	0.5
83.08527	0.7
84.95909	2.6
85.06485	0.5
86.97514	0.6
87.37421	0.4
91.05357	6.6
91.05965	0.6
93.06913	9.6
93.07553	1.0
95.04874	1.0
95.08476	10.2
97.10089	0.5
97.96690	4.3
97.99098	0.6
98.22434	0.5
98.97465	1.3
98.98327	2.5
103.03816	0.5
105.00037	1.7
105.00666	0.4
105.06905	3.4
107.08466	5.0
107.09223	0.9
107.81982	0.4
109.06450	0.4
109.10025	3.7
110.97575	20.6
110.98284	1.5
111.04400	0.8
112.99019	0.9
115.97702	1.9
115.98452	0.6
116.98482	0.8
117.06898	0.8
119.01591	1.4
119.08427	2.6
121.10154	3.4
122.65702	0.5
122.87538	0.4
123.01055	1.9
123.11629	0.7
124.99016	1.3
127.00653	0.5
128.98615	16.8
128.99496	0.7
129.05492	4.3
130.99950	0.6
131.08469	0.9
133.10101	2.1
133.98741	0.5
135.11690	2.2
137.02623	1.4
141.02200	0.5
143.00134	3.3
146.99664	5.6
147.11537	1.4
149.13100	1.2
151.04221	1.0
152.00197	2.1
153.02106	0.8
155.03659	0.5
157.01665	1.0
159.11588	0.7
161.01093	1.7
161.04764	0.6
161.13118	0.6
163.04222	0.5
165.02097	0.4
167.03746	0.8
169.01680	0.6
170.01163	1.0
171.03331	2.6
175.02647	1.5
175.04103	0.5
176.98822	0.5
181.05165	0.6
183.03217	0.7
185.04726	1.9
189.04237	1.3
190.04994	0.6
193.03424	0.5
195.06866	0.7
197.04819	0.6
199.06284	0.5
203.05777	1.3
209.04828	0.7
209.08418	0.6
217.07251	0.6
221.04736	0.6
225.07886	1.4
226.08827	0.7
227.09473	1.7
235.06281	0.8
241.11063	1.5
243.09050	0.8
244.09689	0.6
245.08392	1.4
245.10620	0.9
249.07954	0.7
252.10258	1.0
259.12173	0.9
263.09583	5.0
264.10187	1.1
265.11127	1.2
277.11160	1.3
278.82269	0.4
281.10608	0.5
285.11612	0.8
286.11203	0.6
287.16760	0.5
289.10916	0.9
303.12738	3.2
305.13892	0.6
313.14822	1.9
315.16315	78.4
316.16855	0.9
331.15829	3.6
333.17377	100.0
333.23682	17.1
334.17700	1.9
349.16879	0.6
351.18457	15.4
356.18982	17.1
357.19321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05507	1.6
56.05037	0.9
56.81685	0.6
56.96550	0.6
57.03444	0.6
57.05816	0.5
60.04527	20.4
62.21295	0.5
67.05505	2.1
69.03429	1.7
69.07061	7.0
69.07418	0.7
69.68636	3.5
70.06599	4.0
71.04980	1.0
72.08144	0.8
79.05491	1.9
81.03422	2.5
81.05805	0.6
81.07076	3.9
82.86862	0.6
83.04984	0.5
84.04504	1.0
84.08138	1.4
85.02902	1.5
86.06083	3.2
86.09709	100.0
87.04467	3.5
87.05595	8.4
88.07662	1.0
91.05493	1.3
93.07059	1.8
95.04995	1.1
95.08605	1.3
96.08144	3.3
97.06539	0.8
97.10145	0.6
98.06048	2.3
98.97597	1.0
98.98465	6.3
99.08097	1.1
100.11278	0.8
104.07105	2.7
105.06635	2.0
106.06532	0.6
107.08573	1.0
108.08130	0.7
109.06472	0.6
110.09695	0.9
111.08097	0.9
112.07635	1.1
112.11182	0.7
114.05503	0.9
116.07076	0.6
119.08654	0.7
121.10152	1.1
122.02740	1.2
124.06727	1.1
124.07600	17.2
126.05522	0.8
128.10722	10.6
131.08527	0.9
132.10207	8.0
133.10168	0.7
137.33830	0.6
142.08690	0.6
149.09619	1.7
169.08574	1.0
170.06059	0.6
170.08128	5.8
173.12866	88.6
183.11377	0.9
184.13081	0.6
188.09160	0.8
189.00603	0.7
193.12242	1.7
201.12349	32.7
210.14885	0.9
211.13315	3.4
219.13426	11.8
252.16029	0.8
270.16907	1.0
271.82681	0.6
288.18094	1.6
314.15945	0.7
314.19638	13.5
332.13736	1.2
332.17758	1.4
332.20999	1.2
332.24695	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	333.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03447	1.0
57.96004	0.6
58.99875	1.5
60.04510	0.9
61.02926	1.1
69.03434	4.1
70.06618	0.7
70.25739	1.6
72.08157	1.1
73.02902	1.3
82.99865	1.7
84.08112	0.7
85.01418	4.0
85.02489	0.8
85.02910	7.0
86.09710	0.8
91.03982	0.7
97.01381	3.6
97.02893	3.4
98.03237	1.0
98.98469	1.2
99.02952	0.8
101.00284	0.5
101.00887	13.2
103.02455	2.6
108.08107	3.3
109.08460	2.4
111.02950	1.8
112.99103	1.3
115.02435	58.2
117.02170	1.3
117.04015	0.8
119.01917	9.8
124.07632	0.7
127.02384	1.3
127.03925	2.1
129.03975	9.5
131.01917	1.3
133.03476	100.0
134.03609	1.7
135.03175	1.0
136.01808	0.6
141.03964	10.9
143.01900	3.4
145.03481	4.9
145.04996	1.9
146.69290	0.6
147.05029	9.0
151.04523	6.8
152.07082	1.7
153.04015	1.0
153.07397	2.7
155.05595	0.8
157.03453	1.5
159.05035	44.5
160.05167	1.3
161.03055	1.3
161.05522	2.4
161.55644	5.4
162.05521	2.8
163.02742	0.7
163.03978	1.3
167.01854	1.0
169.03458	2.2
169.07135	0.7
170.06024	1.1
170.56189	1.8
171.01373	1.9
171.05034	2.4
171.08633	1.0
173.03027	1.2
175.04544	0.9
177.06096	31.5
178.06194	1.2
179.05650	1.4
179.40506	0.7
181.03412	1.0
183.05064	1.5
185.02963	2.3
185.06654	1.2
187.02966	0.7
187.04448	3.2
189.02440	1.2
195.01428	1.7
195.05096	2.7
195.07138	19.8
197.02361	3.3
197.06551	5.3
199.04518	1.7
200.07660	1.3
201.06169	0.7
205.05684	0.7
209.03156	0.7
213.02457	10.1
213.06094	2.9
215.03404	4.3
215.07602	2.9
218.08763	0.8
219.07144	7.5
220.07253	1.4
221.05023	0.9
221.06979	2.4
223.04575	3.5
227.03969	5.2
229.09135	0.8
231.03510	7.0
232.07307	0.8
233.05098	0.7
241.05566	6.0
242.58302	1.7
243.07083	11.5
245.05077	4.3
245.08742	6.8
246.05536	0.8
247.06677	1.7
251.58818	2.2
252.08569	1.0
253.01945	0.8
259.06659	2.5
261.08194	0.8
270.66965	0.7
271.06622	38.8
289.07669	21.0
295.12375	14.5
297.12195	6.7
307.08661	0.7
312.09033	0.9
315.05606	41.6
315.12814	2.8
321.10214	2.7
322.10510	3.8
323.10217	2.7
333.06631	50.9
333.09818	3.0
333.13611	4.7
349.07925	0.7
356.08133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2182
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
55.05513	0.7
56.05040	0.4
56.96571	0.4
60.04530	20.3
63.84263	0.4
69.03442	0.6
69.07072	0.5
69.62252	2.3
69.84438	0.4
70.02959	0.8
70.06590	1.6
72.04525	1.1
79.05453	0.5
81.03426	0.6
81.07063	1.2
82.11324	0.4
83.04984	0.5
84.04423	0.5
84.08152	1.4
85.02919	1.0
86.09713	81.2
87.05597	12.9
95.08614	0.5
98.97585	0.6
98.98485	4.0
99.70814	0.4
103.00645	0.4
105.07063	0.8
107.08580	0.5
108.08167	0.5
110.09730	0.6
117.60874	0.5
119.08632	0.5
120.08104	1.5
121.01687	0.5
121.06391	0.4
124.05553	0.4
124.07605	0.5
128.10725	9.3
129.10251	0.8
132.10208	5.8
133.10146	0.4
145.01674	0.9
155.11810	0.6
156.10172	0.6
170.08147	1.6
173.12871	100.0
194.00380	0.6
201.12360	38.5
209.02669	1.2
211.13298	0.4
219.13417	1.2
245.18643	2.4
251.08611	1.2
297.04382	0.6
302.10257	0.5
314.19870	0.5
332.13846	0.6
332.24515	2.5
333.10715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01865	1.9
55.05500	5.1
56.05043	10.5
56.96565	2.5
57.03428	2.2
58.06609	7.1
58.99583	1.1
67.05509	2.6
69.03421	3.1
69.07065	5.5
70.06612	6.5
71.04979	1.7
71.53841	2.0
72.08156	53.2
74.06082	32.8
79.05488	1.9
81.07058	3.1
84.04513	18.3
84.08121	4.9
85.02906	5.5
86.06073	1.6
86.09711	41.1
88.03957	1.2
91.05476	2.0
93.07066	1.7
94.06567	2.1
95.04946	2.4
95.08591	3.0
96.04482	2.6
96.08132	4.1
97.02879	2.7
97.06567	1.6
98.97585	2.5
98.98476	22.8
101.07143	26.2
102.05519	1.7
104.07113	1.8
104.16679	1.0
105.07020	1.7
105.25301	1.0
107.04975	1.6
107.08591	1.5
108.08103	4.3
109.10138	1.2
110.09691	6.1
111.08056	1.2
112.07617	2.1
112.11236	2.4
115.03995	1.4
116.98636	1.8
117.07034	1.6
118.08675	2.2
119.08582	1.4
120.08122	1.9
121.06483	1.5
121.10193	1.4
124.07596	18.6
126.09135	2.6
128.06197	1.4
128.10718	16.9
129.10219	8.3
130.06532	4.7
132.10187	4.4
133.06474	1.4
134.06027	1.3
135.08022	1.7
136.07602	1.7
137.05927	1.4
138.09169	5.9
142.08630	1.6
142.12253	4.4
143.11800	4.2
144.06592	2.5
146.05981	3.1
149.09647	1.4
151.03943	1.2
152.06117	1.5
152.10716	1.9
154.07736	1.2
155.11819	1.3
156.04791	2.9
156.10185	2.8
157.07648	3.7
158.06003	4.0
162.07625	4.1
165.07014	2.4
167.08548	9.2
169.10175	1.5
170.08122	10.9
170.09619	3.9
170.11765	3.8
171.08038	2.8
173.12866	100.0
175.08623	1.6
176.98940	2.2
177.07022	3.3
178.07744	1.3
179.08557	4.8
181.06239	3.5
182.07222	2.5
187.08607	1.8
187.14412	32.4
187.15994	2.3
188.09215	1.5
194.07190	1.1
194.70558	1.3
195.08043	27.2
197.09593	3.1
199.07561	10.5
200.12857	3.6
201.12354	43.7
201.14220	2.7
202.56055	1.2
215.13924	17.5
219.13406	4.7
222.09152	1.7
223.07549	70.6
225.09109	20.9
227.07018	15.2
228.06606	1.7
231.17067	2.9
234.14928	1.5
240.10185	30.2
241.08554	1.7
250.14421	6.1
251.07043	50.1
255.06407	3.6
268.09692	55.1
268.15643	2.0
269.07977	8.8
279.06607	1.8
286.10730	18.9
286.16409	1.3
288.18045	10.7
296.10245	1.8
297.07541	13.6
297.17880	2.8
314.10107	15.4
314.19955	3.3
315.08633	11.0
332.10880	10.0
332.21490	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	332.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40987	0.3
55.05502	0.3
57.03457	0.3
59.24281	0.3
61.02915	0.3
67.05475	0.3
69.90372	1.4
70.01198	0.3
72.08157	0.9
75.10719	0.3
79.05520	0.3
84.04500	0.5
85.02906	1.6
86.09710	2.6
90.05587	0.4
91.05468	0.7
97.02898	0.4
98.97600	0.3
98.97831	0.5
98.98460	4.6
106.06548	0.4
107.04977	0.4
108.08099	0.9
117.07021	0.6
118.06553	2.2
119.07327	2.4
125.00001	17.2
125.03567	0.3
127.03929	0.3
130.06500	0.3
132.08099	0.4
134.09650	24.4
144.08090	5.1
145.08870	3.3
145.99796	0.3
152.07059	0.6
160.11218	45.6
161.11467	0.6
162.09134	0.6
163.09990	0.5
170.08081	0.6
178.12268	100.0
179.12628	0.8
185.16519	0.9
197.12830	0.5
199.03758	0.3
213.16008	0.4
215.13797	0.4
223.27042	0.3
258.08929	7.5
314.12018	0.4
332.12582	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03933	1.1
57.03444	1.7
61.02927	2.7
65.03939	0.9
67.05496	2.0
69.03430	8.1
69.88941	2.1
70.41982	0.7
73.02918	2.1
78.97147	0.5
79.05495	0.8
81.03425	2.2
81.07048	1.0
85.02911	8.9
87.04470	1.9
90.58590	0.5
93.05777	0.6
96.08114	0.9
97.02916	3.6
99.04474	0.9
106.06563	4.2
108.08119	100.0
109.02877	1.5
123.06800	4.1
124.07591	15.7
127.03930	2.3
133.03438	0.6
134.06015	10.2
136.07584	13.4
145.04942	0.8
148.03996	0.9
152.07068	71.4
154.08629	2.0
161.05574	2.9
170.06047	1.8
170.08131	6.4
219.07169	0.8
231.07202	0.9
242.08255	1.6
251.08859	0.8
255.06964	0.6
314.12326	39.8
321.10297	2.3
332.13409	70.6
333.13568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05510	5.8
56.05048	3.3
56.96547	1.6
57.03429	1.2
58.08642	0.7
58.99571	0.8
60.04512	1.1
66.87609	0.5
67.05517	5.7
68.05026	1.2
69.03432	5.1
69.07079	3.0
69.78086	1.5
69.78504	2.4
70.06594	4.8
71.04987	1.9
72.08162	2.9
75.04559	0.7
76.02222	1.1
79.05496	6.3
80.05019	1.2
81.03416	8.4
81.05799	1.1
81.07054	11.5
82.06548	1.0
82.93029	0.7
83.04966	3.9
83.08599	4.9
84.04504	5.1
84.08138	2.3
85.02898	2.8
86.06070	21.3
86.09232	0.7
86.09714	9.5
87.04470	21.6
88.03997	1.0
91.05496	5.8
92.05831	0.7
93.07055	5.7
94.06576	1.4
95.04980	3.4
95.08608	5.6
96.08143	4.8
97.02869	0.8
97.06545	4.7
97.10144	1.6
98.06062	8.7
98.97588	2.0
98.98469	7.5
102.05532	2.2
103.00635	0.6
104.07113	16.9
104.67552	0.7
105.07042	4.7
106.06562	1.4
106.16411	0.6
107.04967	1.0
107.08593	4.2
108.08115	0.9
109.06523	1.4
109.10162	1.3
110.06017	1.1
111.08096	1.8
112.07622	5.2
114.05556	1.2
116.07162	0.6
116.98634	1.3
118.94981	0.6
119.08593	2.7
119.91139	0.6
120.08132	1.0
121.01664	1.0
121.06497	0.8
121.10117	2.9
122.02754	3.0
123.08058	1.4
123.11744	1.0
124.07598	22.5
125.09626	1.1
126.05486	1.6
126.09127	1.2
128.10727	0.8
129.06963	1.7
131.04926	0.8
131.08554	2.7
132.10155	1.0
133.02879	1.4
133.06464	0.6
133.10135	2.0
135.08008	0.9
135.11621	1.0
137.05922	0.8
138.09134	0.7
138.12784	0.7
139.11269	0.7
140.07007	1.5
142.08650	2.5
145.01654	1.3
147.07974	0.9
147.11674	2.7
149.09630	10.5
152.06966	0.8
154.08627	1.0
157.10176	1.9
158.08141	3.9
159.11670	1.2
161.06035	0.9
163.02750	1.0
163.05795	1.0
165.12724	1.9
166.12303	1.0
167.10635	0.9
168.10536	0.6
170.08073	3.3
173.12878	3.5
175.11188	2.9
177.00737	0.9
177.12776	0.9
182.15402	2.4
184.13335	1.4
193.12299	6.8
195.13805	2.2
201.12350	2.6
210.14900	6.3
211.13287	18.1
211.15286	1.0
212.16435	1.4
219.01811	1.1
219.13528	1.4
228.16023	1.8
231.01741	0.8
250.14452	0.8
250.18199	1.0
252.15907	2.1
260.16409	1.2
268.19159	0.8
270.17026	7.9
278.17444	3.4
288.18039	6.0
296.18436	3.6
307.99197	0.6
314.19620	100.0
315.20020	1.1
332.13528	0.8
332.17429	2.1
332.20734	2.8
332.24353	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	332.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01856	1.1
55.05506	2.6
56.05012	2.1
56.96555	1.1
57.07052	0.7
58.06582	1.0
67.05493	1.0
68.05024	0.6
69.03421	1.1
69.07043	1.7
69.19270	5.8
70.06599	4.0
72.08154	13.1
74.05734	0.6
74.06080	8.1
79.05457	1.1
80.05003	1.0
81.03390	0.7
81.07028	1.1
83.04969	0.7
83.06080	1.1
83.08597	1.2
84.04503	4.3
84.05271	0.6
84.08118	2.0
85.02884	2.2
86.06033	2.4
86.09238	0.6
86.09708	11.4
87.04447	1.8
88.07596	0.7
91.05480	1.0
93.07027	1.1
95.08610	1.3
96.04463	1.2
97.02850	1.2
97.06521	0.6
98.06052	5.9
98.97559	2.3
98.98473	6.1
101.07093	2.4
104.07094	0.7
107.04907	0.9
108.08091	1.7
110.09694	0.9
114.05495	0.9
119.04989	0.7
120.08085	1.3
121.06435	0.8
121.10146	1.2
124.07553	1.2
126.05481	0.9
126.09187	0.7
128.06215	1.2
128.10707	3.0
129.06953	0.7
129.10210	2.2
131.04974	0.7
131.08505	0.7
132.10170	0.9
133.06412	1.0
133.79506	0.6
135.07986	0.8
137.05965	0.7
138.09132	3.3
141.06976	1.6
142.08612	0.7
142.12239	1.2
143.08527	1.5
143.11784	0.8
146.06021	0.8
149.09604	1.3
152.06091	3.3
152.10710	1.0
153.06932	2.1
154.07660	1.0
155.08560	1.0
156.10190	1.2
157.07564	0.6
158.06053	0.8
165.06935	3.6
166.07761	1.6
167.07137	0.8
167.08562	15.1
169.06447	2.1
169.10045	1.3
170.08145	6.5
170.09492	1.1
170.11766	0.9
171.08081	3.9
173.01161	0.6
173.12865	9.7
177.06978	4.3
178.07745	0.8
179.08572	5.8
181.06401	3.1
182.07265	3.1
184.05330	0.6
187.14439	4.8
188.09201	0.9
194.07307	1.6
194.09683	0.8
195.08061	35.4
197.05998	1.7
197.09621	4.2
198.11278	0.5
199.07549	14.5
201.12338	7.8
204.08101	0.7
205.06451	0.9
207.08083	1.9
208.05229	0.6
209.05919	0.6
210.06772	1.5
211.07622	1.7
213.09203	0.8
215.13910	4.1
219.13452	1.3
222.07211	0.7
222.09119	3.4
223.07535	100.0
224.08087	1.1
224.16417	0.8
225.09106	26.6
227.07036	19.1
233.14989	1.6
234.14902	0.7
240.10196	44.3
241.08517	3.4
251.07039	69.5
252.15930	2.9
253.08662	0.7
255.06543	7.3
268.09692	81.6
269.08017	13.9
269.10522	0.9
279.06546	2.2
286.10736	28.0
288.18033	12.6
297.07584	20.6
297.18176	1.1
314.10211	23.4
314.19791	4.1
315.08621	15.7
332.11099	13.9
332.21066	6.1
333.14972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67846	1.0
53.03938	1.3
55.05513	21.8
57.03451	8.0
57.07079	100.0
58.07393	1.4
58.53442	0.9
67.05505	13.5
69.03443	4.9
69.07073	8.6
69.62952	1.0
70.06590	5.1
71.04984	1.0
71.06940	1.4
71.08636	33.7
73.06563	3.4
75.04471	2.0
78.58998	1.0
79.05492	1.4
81.07066	15.4
83.04987	49.9
83.08627	12.7
85.02898	2.1
85.06532	8.5
85.10191	18.0
87.19409	1.1
87.70762	1.0
88.07138	1.5
88.07629	7.6
89.07965	1.9
91.05522	2.2
93.06370	0.9
93.07030	1.3
95.08613	24.7
96.00770	1.1
97.10167	6.6
98.98475	88.8
100.98911	2.1
101.06031	6.1
106.08683	3.2
109.10162	13.0
111.04449	71.8
111.11706	2.4
119.08629	1.1
121.10117	1.5
123.11734	6.9
125.13254	1.1
127.03919	2.9
129.05479	5.0
133.10118	1.0
137.13260	2.3
151.07501	1.2
165.16435	1.1
169.24055	1.2
174.99242	4.3
176.98981	6.7
179.09122	1.2
193.72870	1.0
195.10199	6.9
211.09688	2.0
213.11250	3.0
239.23680	12.9
252.99802	1.5
257.24863	3.3
286.17874	1.2
313.27383	36.6
313.32974	2.9
331.08084	3.3
331.18704	6.4
331.34015	57.6
332.33136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
53.96619	0.4
55.01856	1.1
55.05510	0.6
55.73051	0.4
60.04495	0.5
67.05496	0.6
68.05053	0.4
69.03413	0.9
69.07064	1.2
70.06600	3.7
71.04992	0.6
71.43925	0.4
71.54047	0.7
72.08153	1.5
79.05473	1.7
81.03414	0.9
81.07056	2.1
83.04979	0.6
83.08603	0.9
84.04502	1.6
84.08134	0.7
85.02894	1.3
86.05624	0.4
86.06078	3.3
86.09229	0.7
86.09710	9.3
87.04473	3.3
88.03992	1.1
91.05476	1.8
93.07078	2.5
95.04967	0.6
95.08601	0.7
96.04474	0.8
96.08158	0.9
97.02793	0.5
97.06538	0.8
98.06063	5.4
98.97609	0.5
98.97716	0.6
98.98471	6.7
99.05602	0.4
102.05544	0.7
103.05476	0.5
104.07088	1.7
105.07029	0.8
107.04963	0.9
107.08567	1.3
108.08121	1.1
109.02892	0.5
109.06498	0.5
109.10169	0.5
112.07622	0.7
114.05540	1.0
119.04949	0.5
120.08110	1.1
121.05676	0.8
121.06512	13.9
121.10164	0.9
124.07600	5.7
126.05553	0.9
127.08701	0.5
130.08644	1.2
131.08566	0.7
135.04414	0.6
136.07587	2.4
137.05983	1.6
138.09131	1.5
141.06604	1.1
142.08632	1.7
143.08521	0.5
146.11784	6.0
149.06000	0.6
149.09665	2.3
151.07533	2.2
152.06100	0.6
152.07147	0.7
153.06958	0.7
154.08676	0.6
159.07713	2.0
164.07108	1.0
165.06955	1.0
166.12257	0.7
167.07243	0.8
167.08583	4.9
168.64621	0.4
170.08119	3.8
173.12910	0.5
176.07060	1.6
177.05652	0.5
177.07028	2.3
178.07661	0.6
179.08585	0.5
181.06520	1.0
184.13358	1.0
187.07219	1.0
188.09192	0.8
189.00719	0.5
193.12283	1.0
194.07242	3.8
195.08041	17.7
199.07558	2.8
204.06612	1.1
205.06416	1.0
206.15457	0.5
207.07957	1.0
209.06036	0.8
210.14957	0.7
211.13303	0.7
222.09163	1.0
223.07547	100.0
224.07924	1.0
224.16428	0.8
225.09067	2.1
227.07033	4.0
240.10202	0.8
241.08635	1.1
250.14453	1.2
251.07034	3.5
252.15913	2.4
268.09799	2.9
269.08090	34.0
270.17096	1.1
278.17621	0.5
286.10764	15.5
288.18051	7.0
296.18521	0.4
314.13934	0.7
314.19662	12.0
315.08701	5.6
332.11282	27.4
332.14279	1.4
332.20789	2.9
332.24188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
56.96553	1.3
57.03444	0.5
57.07079	8.5
64.70406	0.4
67.05493	1.4
69.03433	0.7
69.07066	0.6
71.24515	0.9
71.49612	0.4
81.07057	1.1
83.04502	0.6
83.04982	6.8
84.14937	0.4
85.06540	1.7
91.05441	0.5
93.07039	0.9
95.08601	0.6
98.98472	29.4
100.98906	0.5
101.06009	0.6
105.07066	0.7
111.04447	11.2
116.99499	0.5
119.08558	1.1
121.10094	0.4
129.05492	0.7
131.08578	0.4
141.05682	0.5
145.10168	0.5
151.11183	0.7
174.99251	1.4
176.98889	2.4
189.88803	0.5
195.10146	1.8
236.37665	0.5
252.99872	0.8
295.16443	1.3
313.18277	0.4
328.93497	0.4
331.18799	100.0
332.19107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2244
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
55.05501	1.1
55.99564	0.5
57.03434	0.6
57.07079	4.1
74.41158	0.5
83.04982	5.5
85.06556	0.7
95.18895	0.4
95.32098	0.5
98.98478	2.1
101.06062	0.6
111.04446	7.8
116.87615	0.4
129.05476	0.5
129.88356	0.5
130.57069	0.4
138.14633	0.5
146.34612	0.4
195.10274	0.7
278.63272	0.5
331.22449	100.0
332.22858	1.3
337.41119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05515	20.0
57.03436	7.1
57.07080	100.0
58.07387	1.5
62.56106	1.1
67.05505	17.5
69.03418	3.4
69.07072	14.9
70.06597	5.7
70.58369	3.1
71.06930	1.3
71.08636	45.9
73.06559	1.5
75.04441	1.8
81.07061	25.1
83.04491	2.1
83.04988	35.4
83.08627	17.8
85.02888	1.4
85.06559	6.3
85.10188	26.6
88.07603	6.0
89.07956	1.2
93.07075	1.9
95.08613	38.3
97.10185	9.0
98.98474	57.8
99.11716	2.2
100.98907	1.9
101.06013	5.4
102.09209	2.5
106.08656	3.5
109.10168	16.0
111.04447	58.6
111.11716	3.2
116.99511	1.4
119.08546	2.2
123.11706	10.0
125.13261	3.2
129.05510	1.8
137.13260	4.3
141.62268	1.3
148.01573	1.1
151.14819	1.8
174.99240	3.8
176.98918	6.9
195.10213	5.7
213.11211	2.1
221.22446	2.2
239.23726	20.6
257.24768	5.1
262.11566	1.5
313.23657	2.6
313.27371	51.3
313.33084	4.6
331.08133	4.8
331.17416	2.7
331.34018	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	16.1
57.03428	6.0
57.07080	57.3
63.45407	2.0
64.48212	1.9
69.03413	6.4
71.53961	2.2
73.06548	4.4
83.04987	54.9
84.91190	2.7
85.02894	4.4
85.06567	10.0
98.98470	53.6
100.98943	2.8
101.06037	6.5
104.99278	83.7
105.99643	2.5
111.04448	100.0
129.05476	4.4
166.91609	4.7
174.99228	2.3
176.98997	4.2
195.10164	10.8
213.11269	4.4
249.00183	34.9
331.09930	4.2
331.17224	3.3
331.22388	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	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
56.96557	3.4
57.03443	0.8
57.07072	5.0
67.05507	2.3
69.03436	1.4
69.07065	1.7
69.47144	4.8
71.08634	1.0
72.08154	0.7
79.01262	0.5
79.05485	1.3
81.03418	0.7
81.07066	3.8
83.04986	5.2
85.06535	1.2
87.04556	0.7
89.67336	0.6
90.68735	0.6
91.05498	2.3
93.07043	1.6
93.52708	0.7
95.04971	1.0
95.08609	1.9
98.21172	2.1
98.98470	100.0
100.98895	2.0
101.06020	1.2
105.07024	2.9
107.08593	1.5
109.10174	1.1
111.04447	6.5
116.99487	2.0
119.08588	2.8
121.10183	1.4
127.03918	1.8
131.08517	0.7
133.10089	0.9
135.08028	1.3
135.11722	0.6
140.01050	1.1
140.98383	0.6
145.10136	1.6
151.11237	1.0
157.10172	1.1
159.11679	1.0
173.13303	0.9
174.99202	4.6
176.98933	10.1
179.14290	0.9
195.10152	1.1
252.99806	2.3
269.30380	1.4
295.22861	1.5
296.22983	1.0
313.17972	1.2
314.14508	0.7
331.08325	3.9
331.18814	96.7
331.26596	2.6
331.30084	1.5
331.33725	3.3
349.16898	1.5
351.18372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3367
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05505	0.4
55.92511	0.1
57.07080	6.3
58.06593	0.6
60.04532	0.2
60.94255	0.1
62.06089	0.5
68.05022	0.3
69.35290	0.3
69.35702	0.9
70.06596	11.6
70.98098	0.1
71.08636	2.8
73.14116	0.1
73.25742	0.1
73.26392	0.1
74.06121	0.2
83.04971	0.2
85.10193	1.0
88.07635	14.7
98.20806	0.3
98.98478	1.8
102.09181	3.6
106.08672	8.2
144.38182	0.1
178.08600	0.3
233.60963	0.1
268.29999	0.4
286.31030	0.8
312.32620	6.2
312.36295	0.3
326.96597	0.2
330.33661	100.0
331.34012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
53.51002	0.9
55.05515	21.8
55.80678	0.8
57.07073	1.7
58.99573	1.2
63.53168	0.9
67.05502	1.4
69.03421	2.9
69.07053	0.8
70.06581	1.5
71.04988	3.3
71.53880	1.1
71.54268	1.0
73.02937	1.4
73.15965	0.8
81.03411	4.9
81.07064	1.7
83.04973	2.7
83.08626	31.4
85.02924	5.8
86.09756	0.9
86.99036	2.4
91.05499	2.4
93.07058	2.3
95.08611	1.1
97.02896	13.9
98.98475	82.8
100.98883	2.1
101.09667	4.2
105.00078	1.6
105.07029	1.6
109.02880	7.5
111.04482	1.2
116.98577	3.3
116.99421	2.1
121.04272	0.9
121.06514	1.9
123.07854	3.1
126.98270	16.0
127.00043	1.2
127.03938	4.9
128.98643	0.9
134.99640	2.2
137.06003	4.4
145.04730	0.9
147.11673	0.9
151.07552	3.6
153.05403	1.3
155.05049	6.7
163.07620	1.2
174.99252	4.8
176.98921	7.0
189.09000	1.1
199.07669	99.1
205.08987	2.8
217.07460	8.7
227.07140	100.0
253.08615	1.0
263.08029	1.5
287.05511	4.1
287.12820	1.4
288.06012	1.3
329.03290	1.3
331.08231	53.9
331.12256	2.4
331.16660	6.0
343.90085	1.1
344.06580	1.1
345.04422	1.0
346.04770	1.7
347.04620	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	331.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01869	6.6
55.05517	39.8
56.96559	2.6
57.03441	14.1
60.04525	1.4
61.02922	3.9
67.05502	12.5
68.99786	5.3
69.03432	48.4
69.07071	9.2
70.06600	1.7
71.01372	2.5
71.05000	20.0
73.02905	2.1
79.05500	13.4
81.03419	38.7
81.07059	19.2
82.04186	2.4
83.04988	15.3
83.08624	20.2
83.54784	1.5
85.02907	25.2
85.06555	2.5
85.24812	1.6
87.00826	11.2
87.04475	1.8
91.05496	9.6
93.07053	18.5
95.04965	6.5
95.08611	17.9
97.02896	17.6
97.06530	6.3
98.98471	100.0
99.04459	11.8
99.08109	3.9
100.98914	1.8
105.01865	2.1
105.07049	6.6
107.04924	2.0
107.08595	7.3
109.02873	16.9
109.06530	5.7
109.10171	3.2
111.04446	4.9
111.08079	26.6
111.08797	2.4
113.09647	11.5
115.03946	6.5
115.05499	2.0
117.07040	3.5
119.01980	1.9
119.08593	4.9
120.02020	2.1
121.06497	5.0
121.10168	3.5
123.04380	2.1
123.08050	10.3
125.05942	1.4
125.09628	3.7
127.02982	2.1
127.03924	37.5
127.07578	2.1
128.06197	1.4
129.01831	2.5
131.08577	2.4
133.10103	1.7
135.08057	15.4
135.11583	1.6
137.09630	4.3
139.07542	18.4
139.11201	1.5
141.09123	25.4
143.67082	1.5
144.02007	2.2
145.04955	2.0
145.10144	3.5
147.08058	4.7
147.11742	2.2
149.09618	4.2
151.07567	8.9
153.09126	6.6
155.10672	3.9
161.09660	3.2
163.11177	5.0
165.09163	2.7
167.10698	3.6
173.09598	2.4
174.99261	4.1
176.98950	12.2
178.02255	1.4
179.10703	4.9
191.10744	6.3
201.03966	1.5
206.62288	2.2
207.10213	3.2
209.11726	26.6
230.02209	2.0
231.05025	3.1
252.99648	2.0
269.13919	4.5
285.08719	2.4
293.94443	1.5
295.11755	30.6
313.08160	6.2
313.12799	4.4
316.05786	2.1
331.08173	7.1
331.17331	2.4
331.22812	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65843	2.8
53.03949	4.7
55.01873	8.1
55.05519	45.4
56.01125	2.5
56.96560	10.6
57.03435	11.1
57.07069	9.2
67.05508	100.0
69.03429	8.0
69.07075	38.4
70.48921	6.8
70.49293	5.4
71.04988	7.5
71.08621	9.9
79.05494	44.8
81.03410	11.2
81.07063	80.4
83.04993	21.0
83.08620	28.2
85.06530	5.8
87.04467	10.6
87.60786	3.0
88.07625	3.3
91.05481	31.1
93.07048	56.9
95.04460	2.9
95.04941	15.9
95.08615	41.0
97.06517	12.8
97.10172	18.9
98.20889	2.9
98.98475	97.7
99.08108	9.4
100.98927	2.8
103.18675	2.8
105.07030	24.0
107.08604	25.5
109.06507	5.0
109.10168	40.5
111.08083	9.2
117.07034	5.5
119.08575	21.0
121.10136	21.7
123.08076	5.7
123.11700	13.2
125.09630	11.2
129.06947	4.1
129.38171	2.6
131.08557	10.0
133.10097	15.3
133.76797	2.7
135.08067	5.4
135.11688	13.8
137.09607	11.0
139.11186	26.7
140.14395	4.0
145.10175	7.0
147.11678	10.4
149.09630	6.5
149.13226	8.1
151.11208	8.8
155.10635	18.5
157.10127	5.3
159.11688	7.6
161.13249	8.2
165.12805	4.6
173.11801	39.3
173.13193	5.3
175.11200	4.2
176.98900	6.3
178.08678	8.3
179.14256	4.2
189.11241	9.1
193.12241	5.9
193.16043	3.3
195.13808	15.3
211.13271	10.3
213.07857	2.8
224.24013	2.8
229.07568	5.4
231.21123	3.9
241.19429	5.7
249.22125	5.8
259.20529	4.2
270.27908	4.1
275.20071	6.1
277.21646	55.9
295.22690	32.3
330.16858	5.3
330.30017	19.0
330.33450	4.9
331.15701	7.9
331.19025	6.4
349.16891	28.6
350.17361	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00166	1.1
55.01884	1.8
55.05518	12.3
56.96570	1.2
57.03427	5.6
57.07069	4.6
59.05012	1.5
60.04548	5.4
62.20842	1.1
67.05510	36.3
69.07077	9.8
70.06557	1.4
70.07048	3.4
70.07461	2.1
71.04994	2.3
71.08637	2.0
79.05498	11.4
81.07062	27.6
83.04991	6.1
83.08620	7.7
85.02907	1.3
85.06545	3.2
87.04470	7.0
87.20907	1.4
88.07655	1.8
89.68822	1.2
91.05495	10.4
92.88248	1.3
93.07050	14.5
95.04963	4.7
95.08612	12.2
97.06538	3.5
97.10167	2.5
98.98473	100.0
99.08109	2.8
101.06003	2.5
105.07033	4.5
107.08579	5.9
109.09473	2.1
109.10164	24.6
111.08097	2.8
116.99527	1.8
117.06979	2.3
119.08617	6.4
121.10142	6.8
123.08086	1.9
123.11683	5.9
125.09651	1.6
131.08539	3.9
133.10146	4.8
135.11681	3.9
137.09636	3.9
139.11177	7.0
140.01050	1.2
140.14363	1.5
141.12822	1.7
143.04921	3.1
147.11685	1.6
149.13254	3.5
151.07567	3.5
151.11176	2.0
155.10692	7.3
161.13281	3.3
163.06279	1.4
165.12759	2.4
173.10249	2.4
173.11746	41.4
174.83586	1.2
174.99242	4.9
175.99588	1.8
176.98917	6.3
177.12766	1.6
178.08611	12.8
185.13326	1.2
193.12302	3.2
195.13823	3.9
211.13306	2.3
231.21202	1.6
241.19566	1.4
259.20529	2.3
277.21713	13.6
295.22809	6.7
312.29172	1.3
330.17191	3.9
330.20834	1.3
330.29999	11.4
330.33521	4.2
331.08215	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41195	1.8
53.03960	1.8
55.01874	3.2
55.05519	30.9
56.96576	16.3
57.03436	14.2
57.07078	11.0
67.05508	88.9
69.03426	5.1
69.07069	35.2
69.89136	3.3
69.89529	4.9
71.04992	6.1
71.08628	8.0
71.95277	2.5
72.08144	7.1
73.88832	1.9
79.05491	36.3
81.03410	5.9
81.07061	100.0
83.04996	13.6
83.08629	22.2
85.06546	4.5
85.10158	2.5
87.04467	9.3
88.07623	4.9
91.05488	27.1
93.07050	34.9
93.07610	1.2
95.04973	7.4
95.08606	41.4
97.06538	8.6
97.10177	10.6
98.98473	88.0
99.08089	4.8
99.98911	1.8
100.56643	2.1
101.06035	9.2
102.79636	1.8
105.07036	17.6
107.08613	20.5
108.84536	1.8
109.06509	3.9
109.10157	38.2
111.04492	2.2
111.08057	8.1
117.06990	3.6
118.74794	2.1
119.08592	18.0
121.06519	2.0
121.10139	15.7
123.08073	5.4
123.11710	16.5
125.09630	10.8
128.98528	1.9
129.06973	2.2
131.08580	5.4
133.10178	12.4
135.08060	4.2
135.11673	9.4
137.09636	8.1
139.11185	7.5
145.10138	5.4
147.11716	11.9
149.13257	9.2
151.11224	3.1
153.09138	3.4
153.12772	3.3
155.10658	20.9
156.17473	5.8
157.10149	3.2
159.11755	4.5
161.13243	9.9
163.06229	2.3
163.14836	2.8
165.12755	6.4
170.19043	3.5
172.92963	2.0
173.11749	36.4
173.13211	3.4
174.99237	2.7
175.11217	3.8
175.14833	3.7
176.98943	5.6
178.08688	11.6
179.14297	3.2
189.11211	8.0
189.12733	2.1
193.12299	7.0
199.06529	3.3
211.13283	6.5
213.07953	6.1
217.07526	3.2
225.07883	2.6
229.07521	4.6
231.09105	3.9
241.19400	3.8
251.09512	3.0
255.09055	7.9
256.26285	5.6
259.20587	5.0
267.09070	6.8
268.29959	11.1
269.10599	18.0
275.20053	3.7
277.21671	38.9
285.10303	9.2
287.11636	4.6
292.12207	4.3
294.24344	3.2
295.22662	27.0
330.17084	3.6
330.29947	22.0
330.33710	43.4
331.15509	2.5
349.16943	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	330.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.28436	0.3
55.01869	0.8
55.05513	7.1
56.05035	1.2
56.96574	0.3
57.05826	0.5
57.81977	0.3
62.06089	1.3
67.05502	1.0
69.03432	0.6
69.07069	5.3
70.02955	0.4
70.06598	1.8
71.53526	0.4
72.08156	100.0
73.02924	0.6
73.06549	0.5
74.06082	0.9
79.05480	0.9
80.32046	0.3
80.44785	0.3
81.03417	1.1
81.07068	1.3
83.04970	0.7
83.08636	0.7
84.04532	0.7
84.08156	0.8
85.02900	0.5
85.06591	0.3
86.06077	5.6
86.09708	11.7
91.05492	1.0
93.07044	0.6
95.04998	0.7
95.08599	0.9
96.08122	0.7
97.06544	0.9
98.06095	0.7
98.09712	0.4
98.98469	17.9
99.04436	0.5
100.07619	0.6
101.02403	1.1
102.05554	0.9
105.03387	0.5
105.07036	0.9
107.08555	0.4
108.08104	0.3
109.06509	1.9
111.08099	1.1
114.05600	0.5
115.07588	0.7
116.10730	2.9
116.99575	0.3
119.08614	0.8
120.06578	1.7
121.06527	0.8
124.07597	0.7
126.05494	0.6
129.10223	0.5
132.10237	2.2
134.09717	0.6
136.07570	0.9
137.06015	1.2
141.09106	0.6
142.08665	0.8
144.06564	0.4
147.11676	0.4
149.09618	0.4
151.07545	0.4
152.10657	0.5
158.11884	0.5
164.07161	0.4
170.11816	1.2
171.14931	38.9
174.99286	0.9
175.11285	0.6
175.99556	0.4
176.07047	0.5
176.98984	1.4
177.05507	0.6
178.08734	1.0
180.10176	0.7
185.16492	4.9
193.12331	1.1
198.11253	12.4
198.13042	0.6
199.14421	24.6
211.13329	2.2
212.16513	0.6
213.15964	3.9
213.17775	0.4
216.12320	17.9
217.15625	0.5
222.14961	1.0
231.17070	4.5
240.16084	1.1
258.16898	0.4
284.27942	0.3
286.16467	1.6
309.94330	0.3
312.18021	3.2
313.08331	0.4
330.19312	2.3
330.23813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34513	1.3
52.67517	1.6
52.88502	1.3
53.72017	1.4
54.41875	1.7
55.01871	3.8
55.05514	48.0
56.96566	2.8
57.03436	2.5
59.04971	1.4
67.05508	20.6
69.03419	5.5
69.07074	10.2
69.83279	7.5
71.08635	10.3
72.65252	1.6
79.05495	15.5
81.03409	2.1
81.07063	18.3
83.04974	6.0
83.08620	34.1
87.40321	1.8
91.05471	5.0
93.07053	10.7
95.04983	4.0
95.08591	6.8
97.06531	1.8
97.10175	71.5
98.20856	2.8
98.98471	48.4
99.08092	12.6
105.07011	4.3
107.08614	21.5
109.10139	6.5
109.14035	1.5
111.08126	2.7
116.99493	1.7
117.07070	1.9
119.03358	1.5
119.08575	3.0
121.10160	2.6
125.09642	58.5
126.12833	3.2
131.08583	2.2
133.10152	3.1
135.08061	4.8
135.11726	2.4
137.05974	3.2
143.10678	3.3
147.11638	1.8
149.13225	2.3
151.11183	8.0
153.09125	3.8
161.13289	6.0
163.11246	3.4
171.10159	16.4
174.99271	2.3
175.14912	2.3
176.98863	1.7
178.08669	1.9
179.14328	5.9
189.11227	100.0
189.24144	1.4
209.42734	1.7
211.16817	1.7
241.19617	2.9
259.20538	2.9
277.21652	59.1
295.22681	13.7
330.33722	3.0
349.16949	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	329.2085
Annotation	HU-331
Peak:m/z	Relative Intensity
50.05874	0.7
55.05503	2.2
57.07074	1.2
69.88559	2.0
69.88973	1.4
70.79066	0.7
73.00029	0.7
73.66952	0.7
83.04977	5.6
98.98470	7.1
101.06011	0.8
110.42574	0.7
111.04452	4.1
123.36787	0.7
162.03491	0.6
211.09404	0.9
329.20874	100.0
330.21201	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2687
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03934	1.0
55.01871	1.1
55.05510	16.7
56.23685	0.6
56.72070	0.6
56.96563	0.8
57.03439	3.9
57.07081	7.7
59.04988	0.6
67.05506	17.0
67.55679	0.6
69.07070	20.7
71.04980	0.9
71.08629	4.9
75.04482	0.8
79.05498	10.0
81.07060	21.2
81.75459	0.6
83.04979	2.0
83.08619	14.9
85.06547	1.4
85.10175	1.4
91.05484	1.2
93.07049	12.5
95.08607	16.2
97.06525	6.9
97.10167	9.3
98.98466	100.0
99.08107	0.8
107.08584	9.1
109.10152	7.1
111.04507	0.7
111.08083	3.0
111.11726	2.7
116.99516	1.2
121.10148	23.8
123.11712	7.3
125.09566	1.5
133.10136	0.7
135.11696	14.8
137.13255	4.1
139.11176	1.5
149.13261	7.1
149.59972	0.6
151.14839	0.6
153.12819	1.2
163.14883	3.0
174.99222	10.4
176.98967	5.0
177.16412	1.8
181.15823	0.7
199.16864	0.6
219.21082	21.2
222.36174	0.8
222.91649	0.7
235.72296	0.6
235.75272	0.6
237.22130	19.9
238.22784	0.9
251.00058	1.3
252.99742	1.8
255.23196	2.8
308.68054	0.7
311.25812	12.6
326.20993	0.6
329.26889	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	329.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05515	24.2
56.96564	1.3
57.03435	3.7
57.07079	10.8
65.42385	0.8
67.05508	21.1
67.57601	0.7
69.03424	1.3
69.07071	21.9
69.33788	4.9
69.34190	1.2
71.04990	1.2
71.08637	5.5
75.04465	1.1
77.98320	0.7
79.05497	15.0
81.07058	27.3
83.04984	9.9
83.08625	17.9
85.10176	3.0
88.07639	1.0
91.05501	1.4
93.07044	17.1
95.08610	18.7
97.06539	8.4
97.10176	13.0
98.20753	1.6
98.98469	100.0
99.08112	1.1
101.06029	1.6
105.07060	1.2
107.08594	11.4
109.10150	8.6
111.04432	4.2
111.08083	3.4
111.11705	3.5
111.99974	1.8
115.11192	1.3
116.99480	1.1
121.00484	1.3
121.10149	27.2
123.11720	9.3
125.09645	1.6
135.11699	17.6
137.13297	5.1
139.11192	1.4
140.01106	1.0
149.13271	8.7
153.12767	1.3
162.20694	0.8
163.00490	1.3
163.14851	4.6
167.14348	1.2
167.99678	4.7
171.13832	1.0
172.01060	1.4
174.99242	11.4
176.98886	3.3
177.00259	2.0
177.16377	1.2
177.50397	0.9
178.08653	0.9
190.00963	3.0
197.01167	0.8
199.01549	2.3
214.73639	0.7
219.21094	27.2
226.88684	0.8
237.22124	24.1
245.77614	0.7
246.69878	0.8
251.00262	0.8
252.99760	2.0
255.23184	3.5
264.01889	1.0
286.03223	3.1
286.53384	1.3
304.04349	0.8
311.25790	17.6
317.04758	1.2
326.05612	1.0
329.26950	2.2
330.33563	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09875	3.4
51.82969	3.5
53.03936	5.0
55.01870	4.7
55.05510	29.9
57.03425	10.0
57.07072	3.2
58.42484	3.8
65.14663	3.0
65.97000	3.8
67.05180	5.5
67.05510	73.4
69.03424	4.7
69.06734	5.0
69.07076	60.7
71.04559	7.2
71.04987	6.1
71.57843	3.7
79.05073	4.5
79.05499	57.1
81.03397	10.1
81.07063	100.0
83.04973	13.5
83.08610	18.0
85.06569	4.5
85.53754	3.2
91.05489	45.0
92.52406	4.0
93.06579	3.6
93.07063	51.1
95.04947	20.8
95.08614	41.8
96.45811	3.2
97.06531	13.9
97.10110	4.3
98.09702	4.3
98.98470	95.1
105.07036	32.8
107.04951	4.4
107.08603	30.3
109.06509	10.3
109.10172	20.0
111.08088	8.1
111.11683	4.1
117.07001	13.5
119.08593	37.0
121.06427	3.8
121.10141	25.1
123.08060	13.9
123.11714	11.4
125.09596	4.2
131.08580	17.9
133.06332	3.7
133.10130	27.3
135.08051	5.3
135.11676	26.7
137.06032	17.2
137.09616	8.4
142.10577	3.6
144.35594	3.4
145.10141	19.9
147.11681	20.6
148.80794	3.8
149.09602	5.8
149.13239	13.4
157.10162	3.9
159.11708	18.9
161.13226	4.9
163.11156	7.7
165.12697	8.9
169.10162	3.5
171.11716	4.1
172.94308	6.5
173.13246	6.9
174.99210	9.5
175.11215	5.7
176.99088	4.5
177.12700	5.4
181.12267	32.1
190.95413	4.3
195.13803	20.1
199.13269	4.3
214.95351	4.1
229.19537	4.3
232.96498	8.3
247.20511	5.0
257.18942	8.7
275.20087	44.6
293.21106	17.7
328.18753	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
54.05844	2.8
55.05275	3.8
55.05515	46.8
57.03428	12.5
64.65818	2.8
65.03935	3.8
65.45648	3.1
67.05508	100.0
69.02465	2.7
69.03412	9.4
69.07074	28.1
70.92621	6.4
71.04975	10.1
79.05492	90.4
81.03407	13.5
81.07064	74.8
83.04970	12.2
83.08618	24.0
85.06515	5.8
87.04429	3.2
91.05485	67.1
93.06487	5.1
93.07047	83.6
93.07635	4.3
95.04976	39.1
95.08617	49.2
97.06522	11.4
97.10172	21.0
98.98476	69.9
101.06023	3.8
105.07037	45.3
107.08601	56.7
109.06535	8.7
109.10158	66.0
111.08076	4.7
111.20796	3.6
117.07019	13.1
119.08578	48.1
121.10140	48.2
125.09627	14.5
129.06987	4.7
131.08572	22.5
133.10144	27.7
135.08012	5.6
135.11708	8.5
137.09616	32.7
139.11217	8.6
145.10107	12.3
147.11678	13.8
149.09595	9.1
155.10721	21.6
159.11635	10.2
161.13243	6.1
163.11234	5.1
171.11711	3.2
172.13408	3.1
173.11743	25.8
173.13248	8.0
174.99260	4.5
175.11092	3.5
189.11209	11.7
193.12262	6.9
195.13840	4.0
197.13214	4.5
211.13280	5.7
223.13358	4.7
275.20059	40.4
293.21179	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	329.1498
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
51.65669	0.2
55.05512	0.2
56.16702	0.2
56.96572	0.3
60.04531	0.3
65.03947	0.4
65.46581	0.2
67.05515	0.3
69.07064	0.2
70.06573	1.2
70.76628	0.5
70.76971	0.2
72.08170	1.1
81.07061	0.7
84.08154	0.6
85.02905	0.3
85.06557	0.3
86.09712	0.7
91.05487	22.4
93.07077	0.3
95.04990	0.2
95.08632	0.3
97.02862	0.2
98.98474	38.6
100.98940	0.3
107.04969	2.0
109.06519	1.1
109.10152	0.3
111.04479	0.3
116.07133	0.4
116.99515	0.4
118.06569	0.9
119.04954	15.8
120.08118	9.0
120.08810	0.1
121.06524	1.8
123.11698	0.2
129.10297	0.3
132.08040	0.4
136.07588	100.0
137.05984	1.0
137.07927	0.4
146.06041	1.4
147.04433	0.4
166.08649	5.3
174.99228	4.2
176.98958	1.7
192.06497	0.3
201.80473	0.2
206.08110	1.3
243.86905	0.2
250.99976	0.5
252.99745	0.9
270.11136	0.3
283.14441	1.0
284.12894	0.7
296.33521	0.2
312.12100	1.5
329.06253	0.5
329.15225	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	328.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.05040	0.9
56.96581	0.9
57.03445	2.7
59.05006	40.1
59.59464	0.7
61.02935	1.8
67.05521	1.3
68.52648	0.7
69.03440	1.7
69.07063	1.7
69.74491	4.6
70.06597	5.5
72.08162	15.0
73.06561	100.0
81.03420	1.3
84.08146	9.5
85.02914	10.4
85.06557	1.1
86.09712	10.9
91.05476	0.8
93.07066	0.9
97.02900	2.2
98.97574	1.4
98.97735	1.4
98.98476	31.3
103.05496	3.4
109.02886	1.1
116.07109	10.5
117.09138	8.4
120.08121	29.6
121.08487	1.4
128.75890	0.9
131.10713	9.4
136.07625	2.3
145.05028	1.5
145.77953	1.0
148.07631	1.4
149.11743	57.3
165.05612	0.9
166.08755	0.8
174.99295	3.5
182.08191	1.4
185.16481	4.4
194.88486	0.8
213.16064	3.5
219.15031	3.1
220.79080	0.7
260.05527	0.8
305.19473	1.1
327.24277	0.8
328.15488	1.2
328.19446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31308	2.6
55.01877	5.9
55.05511	50.1
67.05503	16.3
69.03430	7.7
69.07072	20.0
70.98713	7.3
78.38563	2.5
79.05502	25.6
81.07057	19.1
83.04996	3.1
83.08623	38.7
91.05482	9.2
93.07061	13.6
95.08607	6.0
97.10177	81.0
98.98473	49.4
105.07031	13.9
107.08604	86.0
109.10152	3.9
111.08134	2.9
119.08581	7.9
121.10197	2.9
123.11789	3.4
125.09647	70.7
131.08571	4.7
133.10159	8.4
135.08061	6.5
145.10164	8.7
147.11734	6.2
149.09616	7.3
153.09102	3.4
168.13872	2.7
171.10201	25.2
172.94371	4.6
174.99194	5.9
176.85236	2.2
181.12251	4.7
188.40077	2.9
189.11229	98.8
232.96426	4.0
239.17982	3.7
250.97585	3.5
257.19052	10.1
270.69614	2.7
275.20074	100.0
293.21106	9.3
329.17300	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39622	2.6
53.03941	4.0
55.01871	5.7
55.05516	38.4
57.03420	8.5
61.21678	2.2
67.05507	81.3
69.03405	5.7
69.07074	30.0
69.85116	11.3
71.04991	7.8
79.05495	100.0
81.03401	9.4
81.07060	55.6
83.04981	9.4
83.08626	20.1
85.06550	3.9
91.05482	41.3
93.06490	5.0
93.07053	78.9
95.04967	24.0
95.08617	52.8
97.06528	7.4
97.10195	14.8
98.20824	3.4
98.98471	66.7
99.08115	3.0
105.07039	30.9
107.08589	37.0
109.06514	5.6
109.10163	42.5
111.08073	6.9
117.07008	8.4
117.75352	2.1
119.08581	31.0
121.06551	2.7
121.10147	53.3
123.08055	4.9
123.11745	4.9
125.09655	19.1
129.06978	3.2
129.27425	2.5
131.08580	13.9
133.10144	23.1
135.08087	4.1
135.11708	5.7
137.09619	20.4
143.10680	2.7
145.10130	12.4
147.08005	3.1
147.11681	15.6
149.09650	6.6
153.09148	2.6
155.10672	15.8
157.10144	5.3
159.11702	7.5
161.13304	8.0
169.10197	2.8
172.94373	8.0
173.11792	31.2
173.13248	6.5
174.99254	9.2
177.12726	2.6
179.14326	3.1
189.11258	8.5
190.95406	7.2
193.12148	5.6
193.88211	2.2
200.17188	2.4
201.12779	3.2
205.51143	2.4
209.15332	4.4
211.13281	2.9
214.95442	4.0
232.96451	7.3
239.17751	3.1
256.61511	2.3
257.19067	3.3
275.20123	30.4
290.20068	2.3
292.22623	3.1
293.21155	8.6
316.14163	2.3
328.15298	2.6
329.17206	2.5
337.39871	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	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01864	1.9
55.05511	8.2
57.03440	2.0
57.07056	2.0
61.61980	0.8
62.03505	0.9
67.05508	17.4
69.03416	1.9
69.07064	10.3
70.80273	1.5
70.84395	1.8
71.04984	3.8
71.08627	9.7
76.69777	1.0
79.05487	11.0
81.03404	5.1
81.07054	14.5
83.04977	3.6
83.08614	3.2
85.02914	1.5
85.06504	1.4
91.05478	8.4
93.07050	16.8
95.04970	11.9
95.08611	16.5
97.06528	5.8
97.10178	3.1
98.98471	49.9
99.08087	7.8
105.07032	8.7
107.08611	7.6
109.06509	2.4
109.10153	8.7
111.11767	1.1
117.07026	2.2
119.08588	8.9
121.06483	1.6
121.10135	6.9
123.08084	2.5
123.11703	1.9
127.11187	1.6
129.07019	1.2
131.08559	3.7
133.10138	7.2
135.08034	1.1
135.11668	3.2
137.09641	5.7
139.11148	3.2
142.07733	1.1
143.08569	2.8
145.10115	6.2
147.08061	1.3
147.11678	2.7
149.09586	1.0
151.11211	7.9
153.12811	1.1
155.10612	1.2
157.10129	3.2
159.11691	4.2
161.09583	1.1
161.13210	2.4
163.11229	2.0
165.12717	2.8
169.10158	1.3
171.11638	1.9
173.13260	2.3
174.99193	7.7
175.14821	2.0
179.14243	2.9
183.11588	1.2
185.13303	1.9
187.11122	1.6
187.14836	1.4
189.12764	1.2
209.13470	1.1
211.15134	1.1
221.15335	1.6
249.22137	1.0
259.20654	1.2
277.21631	43.6
295.22690	100.0
296.22983	1.2
309.24301	5.9
327.23050	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01616	0.5
55.01875	2.6
55.05270	0.8
55.05517	10.0
57.03443	0.7
57.07066	1.5
60.28964	0.5
67.05178	0.8
67.05508	8.6
69.03430	1.0
69.07077	5.4
71.05003	1.0
71.08635	2.6
71.14075	0.4
71.54546	0.7
77.01610	1.0
79.05513	4.2
81.03419	3.7
81.07059	6.5
83.04988	14.5
83.08616	1.3
91.05482	3.5
92.49852	0.5
93.07046	7.8
95.04979	3.8
95.08616	6.9
97.02904	1.1
97.06544	2.1
97.10175	2.0
98.98476	100.0
99.08110	1.8
101.06042	0.8
105.07053	2.1
107.08603	3.0
109.06519	0.8
109.10160	3.4
109.99130	0.5
116.99513	1.8
117.07010	0.5
119.08575	2.1
121.10174	4.1
123.11760	1.1
125.09621	2.5
131.08598	1.4
133.10168	2.5
135.11696	2.4
137.09586	3.0
139.11188	2.1
140.01122	1.2
143.08554	0.6
143.97871	0.6
145.10158	1.2
147.11731	1.4
149.09637	0.6
149.13255	1.1
151.11192	2.8
155.17654	0.5
159.11714	1.0
161.13243	0.8
165.12817	0.7
174.99239	16.0
175.14899	0.7
179.14278	0.5
183.61145	0.6
189.12804	0.4
191.14432	0.5
197.13312	0.5
216.02248	0.5
221.15347	1.2
227.09180	0.6
249.22171	1.2
251.00070	3.0
251.26550	0.5
259.20569	0.6
277.21643	16.6
283.12595	0.6
295.22696	17.7
309.24448	2.4
327.14902	0.8
327.19351	9.2
327.22775	0.5
327.25360	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.01871	0.6
55.05511	7.3
57.03439	1.3
57.07077	3.0
67.05507	8.2
69.06693	0.8
69.07068	9.5
69.07422	0.7
70.75389	0.3
71.04991	1.2
71.08630	1.6
71.53291	0.4
77.01603	0.6
79.05503	3.4
80.68712	0.3
81.07060	11.2
83.05017	1.9
83.08620	5.6
85.02896	0.8
85.06548	1.2
85.10162	0.5
91.05479	3.2
93.07040	4.4
95.04971	0.4
95.08613	9.4
95.47268	0.4
97.06538	1.3
97.10176	3.6
98.98470	100.0
99.08095	0.6
105.07012	2.7
107.08607	3.1
109.06531	1.0
109.10162	5.4
111.08081	0.7
111.11717	1.7
113.09644	0.7
116.99531	1.5
119.08601	2.5
121.10154	3.0
123.08076	1.1
123.11709	2.3
125.09668	0.7
133.10135	3.6
135.11710	2.3
137.05975	4.6
137.09584	0.9
137.13257	1.6
140.01109	0.9
145.10201	0.6
147.11676	2.0
149.13274	0.9
151.11115	0.5
151.14839	0.9
161.09624	0.4
161.13303	2.1
172.94441	0.5
174.99231	15.1
175.11320	0.4
175.14777	0.6
217.19527	4.7
232.96552	0.4
235.20576	2.5
251.00043	2.3
253.21722	0.7
277.18036	4.3
277.21014	0.7
309.20798	0.5
309.24341	1.3
327.25345	14.3
328.22522	1.1
332.37415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.0
55.01862	5.4
55.05497	12.4
57.03438	3.7
57.07070	7.0
58.67875	2.4
60.38819	2.5
65.03934	3.5
67.05511	34.1
69.07088	20.1
70.81077	5.8
79.05498	24.9
81.03392	3.2
81.07054	37.3
83.04957	4.4
83.08583	4.5
85.06537	4.7
91.04973	4.2
91.05486	40.1
91.26740	2.5
93.07048	84.7
95.04972	79.9
95.08064	4.2
95.08614	53.4
97.06520	27.1
98.98470	100.0
105.07035	63.3
107.08598	42.8
109.06496	9.6
109.10157	24.4
115.05482	3.3
117.07024	20.4
119.08588	68.1
121.06531	20.6
121.10149	42.3
123.08067	15.8
123.11699	10.7
128.06192	6.3
129.06998	10.5
130.07802	7.2
131.08566	31.7
131.89928	3.1
133.10144	46.5
135.08084	13.2
135.11699	12.8
137.09607	8.7
139.11192	3.4
142.07751	9.4
143.08549	25.7
144.09323	7.2
145.06532	3.1
145.10115	47.6
147.11702	18.6
149.09624	4.4
152.06247	3.4
155.08504	7.5
156.09367	9.5
157.10136	38.7
157.34717	2.7
158.10977	5.3
158.62660	3.1
159.08101	6.1
159.11707	50.2
161.09642	16.9
161.13246	5.2
168.09325	3.2
169.10110	11.0
170.10870	3.7
171.11671	16.7
173.13280	15.6
174.99205	13.6
175.11215	3.2
175.14835	24.7
179.08635	3.8
181.10136	6.8
182.11081	3.0
183.11690	11.0
185.13213	9.2
187.11159	7.9
187.14812	16.1
189.12741	4.6
193.10152	4.3
195.11633	5.3
197.13266	11.1
199.14854	9.1
200.12984	2.7
201.16412	6.8
205.15831	3.8
207.11584	3.8
209.13239	9.0
211.14847	6.2
213.16335	6.8
215.14221	4.4
217.15813	5.8
221.13216	4.6
225.16403	5.0
227.14401	3.8
229.15814	3.6
235.14633	3.3
249.16420	3.2
253.15952	3.3
263.34006	2.7
265.19376	3.1
291.21094	4.2
303.92331	2.8
309.22058	9.4
327.07837	10.7
327.23190	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	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01858	7.6
55.05502	23.3
57.03419	5.2
57.07049	9.4
63.86699	3.5
64.54344	2.8
67.05505	47.3
69.03429	7.7
69.07063	26.9
69.84149	6.4
69.84545	10.0
70.80462	2.7
71.04971	4.7
71.08617	13.7
79.05490	33.5
81.03396	6.0
81.07056	33.5
83.04984	7.7
83.08614	8.4
85.06524	4.4
85.30293	2.7
91.05479	42.2
93.07037	100.0
95.04375	5.2
95.04964	94.0
95.08599	83.0
95.89188	2.8
97.06519	18.3
98.17307	2.7
98.98463	91.8
99.08054	7.0
105.07029	74.2
107.08586	50.8
109.06505	11.5
109.10141	30.4
117.07023	17.5
119.07812	5.7
119.08579	78.3
121.06507	22.2
121.09492	3.7
121.10151	43.3
123.08045	12.8
123.11675	12.9
128.06186	6.6
129.06999	12.0
130.07762	4.3
131.08556	36.3
133.10123	54.9
135.08017	9.3
135.11685	18.3
137.09596	16.4
139.11177	3.8
141.06978	5.3
142.07756	13.9
143.08563	15.0
144.09262	4.6
145.10118	47.2
147.08069	4.6
147.11696	20.1
149.09541	5.7
149.13170	4.8
150.47287	3.2
151.11154	12.4
154.07704	3.1
155.08540	9.5
156.09328	10.7
157.10110	36.2
158.10851	7.4
159.11696	48.7
161.09648	17.0
161.13249	10.0
163.11232	4.9
167.08546	4.4
168.09245	4.6
169.10132	20.0
170.10847	4.0
171.11682	15.5
172.12325	3.6
173.13165	15.6
174.99242	12.5
175.14835	27.2
179.08640	5.4
179.14357	3.8
180.09296	3.2
181.10005	4.7
183.11647	8.7
185.09538	3.8
185.13216	14.1
187.11082	9.2
187.14868	17.7
195.11703	7.4
197.13246	13.6
199.10992	3.7
199.14810	13.2
201.16386	6.6
209.13182	11.6
211.14778	9.3
213.16312	3.8
215.14348	6.7
216.84720	3.3
217.15839	5.9
221.13193	7.2
223.14806	4.2
225.16415	5.2
227.14256	4.0
229.15871	4.0
235.14792	4.7
249.16388	4.7
251.00032	4.0
254.23436	3.1
277.21609	40.3
295.22659	90.7
309.21826	5.4
327.23102	17.0
336.98764	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	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
53.35777	0.6
55.01862	2.2
55.05270	0.7
55.05516	8.7
57.03434	2.6
57.07074	1.0
62.01561	0.6
67.05515	6.3
69.03427	2.3
69.07073	5.2
69.63407	0.6
69.90865	1.5
69.91254	1.6
70.67583	0.6
71.04992	4.7
79.05494	5.5
81.03411	1.9
81.07057	6.4
83.04987	7.3
83.08624	1.3
85.06542	1.3
89.06026	1.5
91.05486	9.2
93.07048	18.6
95.04971	12.5
95.08614	20.3
97.06539	2.8
98.98471	100.0
99.47164	0.7
105.07039	20.7
107.04909	0.6
107.08596	15.0
109.02866	0.6
109.06526	3.8
109.10152	2.8
115.05459	1.8
116.99548	1.5
117.07034	8.6
119.08585	6.1
121.05766	0.7
121.06500	3.9
121.10107	4.7
123.08063	5.0
123.11672	0.9
128.06186	0.7
129.06995	1.6
130.07780	4.4
131.08592	2.6
133.06467	0.6
133.10139	3.8
135.07120	1.0
135.08066	12.3
135.11696	4.6
137.09659	1.1
140.01080	1.2
142.07777	0.8
143.08563	2.8
145.10133	21.5
147.08040	0.9
147.11694	1.8
149.09608	2.9
157.10143	3.5
159.11702	2.4
161.09610	2.3
161.13286	0.7
163.11177	17.6
163.14781	1.0
165.12781	2.4
169.10156	1.5
171.11768	0.8
173.13271	1.9
174.99246	15.1
175.11110	0.8
175.14917	0.9
181.10066	0.8
185.13330	0.8
187.11200	1.7
187.14847	1.1
191.14294	5.3
193.15865	2.3
195.11903	0.7
197.13254	1.0
205.15881	10.6
217.15889	2.2
247.16943	2.3
251.00024	3.3
258.19955	1.1
270.19678	1.6
272.02649	0.7
283.20724	0.8
309.22134	1.6
327.07809	1.1
327.14365	1.2
327.23203	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	327.2166
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.03944	0.5
55.01876	1.3
55.05273	0.5
55.05515	7.5
56.03469	0.3
56.96581	0.4
57.03433	1.7
57.07077	2.9
67.05502	6.3
69.03420	0.9
69.07070	10.7
69.73119	1.9
71.04987	1.2
71.08622	1.3
77.01624	0.4
78.65477	0.3
79.05493	2.9
81.03398	0.3
81.07055	12.5
83.04965	1.8
83.08623	6.6
85.06546	0.6
85.10149	0.4
91.05477	2.5
93.07043	3.8
95.04948	0.7
95.08608	10.0
95.52357	0.3
97.06532	1.5
97.10170	3.2
98.21529	0.4
98.98468	100.0
99.04398	0.4
99.08099	0.8
105.07046	2.4
107.08612	2.3
109.06512	2.2
109.10164	4.4
111.04458	2.2
111.08113	0.4
111.11731	1.3
116.99501	1.8
119.08579	3.1
121.10155	2.6
123.08082	1.0
123.11690	2.2
125.09623	0.9
131.08580	1.0
133.10165	3.0
135.11687	2.6
137.05980	16.6
137.09642	1.0
137.13281	1.3
137.71304	0.4
140.01086	0.8
147.11702	2.4
149.08574	0.4
149.09654	0.9
149.13278	1.0
151.07559	0.6
151.11171	1.3
151.14778	0.6
153.12721	0.4
161.09613	0.9
161.13287	1.3
163.11205	0.7
165.09100	0.8
174.97722	0.8
174.99226	14.3
175.11177	0.6
175.14847	0.9
189.16272	0.5
193.12250	0.5
203.18024	0.6
217.19513	3.1
231.17471	1.3
232.96388	0.5
235.20549	2.0
249.18620	1.5
251.00055	3.1
253.21823	0.5
275.99359	0.4
277.17990	15.1
291.19675	0.8
295.19156	1.2
309.24332	0.5
324.65067	0.4
327.25323	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	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01875	30.1
55.05517	8.1
55.05746	1.4
57.03445	1.6
67.05511	18.3
68.68717	1.0
69.07075	9.3
70.00903	3.5
70.01308	2.0
71.05016	1.7
79.05495	7.6
81.03419	4.7
81.07062	7.6
83.04972	5.4
83.08616	4.0
85.06590	1.1
85.50632	1.0
91.05479	4.2
93.07043	5.7
95.04966	13.0
95.08611	4.4
97.06535	33.5
97.10174	5.5
98.20857	1.8
98.98474	100.0
99.04453	1.6
105.07035	3.4
107.04970	2.7
107.08607	5.9
109.10174	8.8
110.80988	1.1
111.04447	6.3
117.07042	2.0
119.08573	3.2
121.06549	1.1
121.10141	2.1
125.09642	6.6
129.07033	1.4
131.08643	1.9
133.10152	2.6
135.08121	1.7
135.11702	1.3
137.09613	7.3
143.08611	1.5
147.08052	1.4
147.11668	1.4
149.09702	1.9
153.09113	2.1
155.10715	1.5
159.11757	1.2
161.09663	3.6
163.11215	1.0
173.11775	3.5
174.99234	14.4
175.11311	1.0
175.24240	0.9
177.12796	1.1
189.11305	1.2
195.13773	1.5
221.15443	2.2
227.17950	1.1
229.14465	1.1
249.14951	2.9
251.00069	3.2
263.19998	6.4
267.15918	2.9
273.18475	6.4
291.19574	30.7
309.20612	56.5
327.17499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.03951	0.9
55.01873	1.5
55.05270	0.7
55.05515	8.6
56.96556	0.8
57.03433	0.9
61.99450	0.6
66.39608	0.5
67.05508	5.9
69.03444	0.8
69.07066	2.7
70.47847	1.5
71.04990	0.8
79.05489	5.0
81.03438	2.4
81.07061	11.8
83.04980	1.6
83.08630	4.7
85.06554	0.6
88.15781	0.5
89.62980	0.5
91.05507	2.8
93.07033	3.8
93.54448	0.5
94.07327	0.5
94.92794	0.5
95.04976	2.1
95.08617	4.0
97.06543	3.0
97.10173	9.2
98.21425	0.6
98.98470	100.0
99.08102	1.5
105.07040	2.2
107.04967	1.1
107.08617	3.3
109.06561	1.2
109.10154	1.5
111.04435	1.1
111.08097	1.4
116.99515	1.1
117.07078	0.9
119.08611	3.5
121.06473	0.9
121.10164	1.4
123.08085	4.2
125.09647	6.1
129.06992	0.7
131.08585	1.7
133.10106	1.2
135.08092	1.2
135.11693	1.0
137.06035	0.8
137.09616	1.0
139.11191	1.1
145.10147	1.5
147.08078	0.8
147.11647	0.6
149.09587	0.9
153.09079	0.7
157.10141	1.0
159.11688	0.8
163.11197	2.2
165.09149	1.1
171.10257	1.2
171.11720	0.5
174.99223	14.7
175.11168	0.7
181.12260	0.9
189.11217	8.8
189.12758	0.9
193.12363	1.2
211.13329	0.8
212.03181	0.5
223.13397	0.6
227.12689	1.0
229.65012	0.6
245.19118	0.6
250.97768	0.8
250.99985	3.0
255.17575	0.7
263.20236	0.9
264.59244	0.7
273.18491	3.5
291.19583	14.6
295.15054	1.1
309.20630	7.0
327.17569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88124	0.3
53.03937	0.5
55.01870	1.4
55.05511	2.7
56.96549	0.3
57.03439	1.2
62.35084	0.2
64.43233	0.3
65.03947	0.5
67.05506	5.9
69.03425	2.2
69.07068	1.1
70.06616	0.4
71.01344	1.4
71.04980	0.7
71.53879	0.2
72.08168	0.3
77.01601	0.7
77.03928	0.3
79.05498	4.8
81.03415	5.8
81.07056	5.1
83.04977	1.7
83.08615	1.3
84.08119	0.3
85.02911	0.7
85.06559	0.4
86.09692	0.4
91.05485	4.4
93.03385	0.3
93.07040	3.8
95.04971	10.5
95.08600	1.8
97.02888	0.5
97.06529	0.9
97.10178	1.4
98.98467	100.0
99.04499	0.3
99.08099	0.6
103.03934	0.9
105.03420	0.3
105.07027	2.7
107.04960	2.9
107.08589	3.0
109.02879	2.8
109.06519	2.2
109.10155	1.0
111.04436	0.7
111.08075	0.5
116.99512	1.8
117.07013	1.9
119.04940	0.9
119.08586	2.1
120.08133	0.3
121.06509	1.1
121.10146	1.2
123.04428	13.9
123.08012	0.6
125.06004	0.5
125.09624	0.8
127.03979	0.3
127.91754	0.2
128.06219	0.5
129.07040	1.7
131.04933	0.5
131.08545	1.4
132.04247	0.9
133.06496	0.5
133.10152	1.0
134.55325	0.2
135.08052	0.7
135.11671	1.7
137.05978	3.3
137.09624	0.3
139.03891	0.5
140.01100	0.4
143.08580	0.8
145.06459	0.7
145.10129	3.2
147.04466	0.4
147.08076	1.4
147.11708	1.1
149.06015	0.5
149.09599	0.7
151.03937	0.3
153.09143	1.3
155.08580	0.8
157.10165	0.4
161.06023	0.3
161.09644	0.4
161.13260	0.3
163.11189	3.0
165.05504	0.9
165.09149	0.2
165.12804	0.4
171.11682	1.6
173.09642	1.9
174.99228	16.0
175.07457	0.3
175.11240	0.4
189.12730	2.1
190.04704	0.3
191.05544	4.1
191.10707	0.9
193.12224	0.3
197.00638	0.3
197.07141	0.4
198.09250	0.4
199.11217	0.9
203.07234	0.3
204.06506	0.3
207.13792	2.5
210.06030	0.3
211.08691	0.8
216.01886	0.3
217.12242	2.9
225.06635	0.5
225.10277	0.6
229.14313	0.3
231.03114	0.3
235.13278	20.7
239.08203	1.1
250.99994	3.1
253.09764	0.8
253.14307	0.5
263.16370	0.4
267.07779	0.8
281.09259	0.5
283.11377	0.4
291.16016	0.3
291.19611	0.7
299.10306	0.8
309.09186	3.1
309.16965	17.7
310.17224	0.3
327.10336	15.6
327.13318	13.2
327.26254	0.3
328.21198	0.3
345.10828	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	327.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
56.96556	2.6
57.03438	5.7
57.55984	0.9
59.94592	1.0
61.02925	1.5
69.03423	4.5
70.02956	10.7
70.06585	2.1
70.73841	1.0
70.74161	1.8
71.01350	1.9
72.08153	1.1
73.02916	3.5
81.03416	1.3
82.99857	2.8
84.08160	2.0
85.02912	6.7
86.09689	2.8
87.13948	0.9
97.02891	3.6
98.97609	4.9
98.98473	39.1
101.00887	23.7
101.01504	1.9
109.02776	1.0
110.07177	2.0
110.97591	1.2
112.79506	0.9
112.99129	3.0
113.00874	18.0
113.03463	5.1
115.02427	1.9
115.03915	2.6
116.98656	1.1
119.01929	27.3
127.03861	1.9
131.00270	2.0
131.01917	26.6
133.03419	1.8
133.04993	1.9
135.00436	1.1
136.03934	1.2
136.06200	1.7
137.02957	2.8
139.02475	1.6
143.01920	6.6
145.03502	1.2
145.07605	4.7
146.07957	1.5
147.01314	1.1
147.05106	1.1
149.02946	1.5
152.05644	2.4
153.01482	8.5
155.01913	19.0
157.03487	14.7
158.56696	1.0
158.98125	1.1
161.02977	17.2
163.08687	2.2
164.07137	1.6
167.01915	5.6
171.02521	54.2
173.02971	25.6
174.99289	5.6
175.04579	5.2
178.04907	1.3
179.04532	1.0
182.02988	3.2
185.02965	17.5
189.03578	96.4
191.03996	1.8
195.02548	11.7
203.03973	1.8
207.02492	11.2
207.04187	1.4
209.04167	2.4
213.03580	95.9
214.03743	1.5
215.03961	6.9
219.01895	2.1
223.16539	1.0
224.96507	1.6
225.03581	38.9
225.05711	2.2
227.05167	6.2
231.04652	40.9
231.06929	2.2
232.04897	1.1
233.05070	26.3
235.04889	2.0
236.05191	2.6
237.03572	8.3
243.04533	7.4
249.03546	2.2
251.00050	1.3
255.04611	14.0
261.08139	1.7
267.04730	6.4
285.05710	4.7
291.09238	1.7
301.78287	1.0
303.06750	3.9
304.17993	1.2
327.06757	100.0
327.14627	5.2
328.06949	2.7
345.07962	7.2
348.28766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01873	10.1
55.05526	11.6
56.96584	1.6
57.02543	1.8
57.03431	1.6
67.05181	2.8
67.05509	35.3
69.03445	4.4
69.07082	14.9
70.45121	3.5
71.04984	5.5
79.05505	17.2
81.03408	2.8
81.06588	2.8
81.07060	41.7
83.04961	9.1
83.08624	4.1
85.06545	6.3
91.05488	25.8
93.07049	21.1
95.04962	5.6
95.08606	12.0
97.06532	4.5
98.21450	2.0
98.98474	100.0
99.04463	3.9
103.63438	1.6
105.07037	35.1
107.04954	3.9
107.08604	34.4
109.06525	5.8
109.10168	55.4
113.06065	3.4
117.07059	3.1
119.08604	6.7
121.06499	4.3
121.10133	3.5
123.08067	2.5
123.11700	9.8
125.09656	2.7
127.07537	3.5
131.08612	5.8
133.10141	81.2
135.08061	3.2
135.11716	3.6
145.10141	4.9
147.11687	2.2
149.09662	2.1
151.11195	50.8
157.10083	2.4
161.09622	3.8
169.12247	22.5
171.11774	2.3
174.99265	16.1
175.14958	2.8
179.10762	4.7
189.87860	1.8
195.65808	1.7
197.11539	1.9
211.14645	2.0
215.12801	7.4
245.19014	3.3
251.00168	2.8
263.20209	2.5
273.18558	11.5
291.19580	16.6
325.76382	7.0
326.13937	5.9
326.21982	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	326.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
54.33340	1.0
55.05515	53.0
56.96564	1.3
58.99593	3.1
68.97782	1.2
69.07073	1.7
69.41146	1.9
69.41544	7.1
70.06587	1.6
71.04997	2.8
72.08147	1.2
81.03415	1.5
81.07053	1.2
83.08623	100.0
85.02892	3.3
86.09717	2.2
86.99050	4.9
91.05472	1.2
93.06957	1.1
93.44355	1.0
97.02914	1.1
98.98468	24.3
100.11256	5.5
101.09663	22.1
105.00095	6.6
105.07024	1.6
107.08566	1.3
112.18594	1.2
174.99228	3.4
181.78654	1.0
182.15488	1.3
187.07893	2.2
205.08940	51.2
210.14882	1.9
259.08621	2.2
287.05502	1.6
326.10953	1.8
326.24182	1.9
326.27884	8.8
341.02289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.5
61.02932	1.7
69.87540	5.0
81.03416	2.1
87.59011	1.1
97.02911	1.9
98.97573	2.4
101.00883	9.0
108.41833	1.4
109.02903	1.4
113.03471	2.0
114.00800	1.5
119.01922	13.4
121.01640	1.7
142.03522	5.1
143.03603	1.2
144.71831	1.2
156.97531	2.0
157.97554	2.9
158.60902	1.3
158.97243	1.7
158.99915	2.4
175.98662	1.5
177.00967	11.4
179.00764	2.4
184.98730	1.3
200.98222	2.5
201.00984	2.6
213.00084	1.8
217.04121	1.7
219.01985	12.8
221.01746	7.4
222.01915	1.4
223.01520	7.8
225.01074	4.3
238.95639	5.9
243.02010	13.2
256.96585	13.4
258.96503	1.7
260.00140	1.5
260.97308	5.2
261.03094	100.0
262.03201	4.3
262.48288	1.5
265.99585	3.1
271.48917	1.4
271.98816	1.6
274.97632	1.9
279.98267	7.2
284.00504	7.0
285.00464	1.9
287.27490	1.8
293.28033	2.9
294.94861	1.8
299.28265	2.1
299.93851	1.8
301.61450	1.7
301.98270	1.5
302.01395	5.9
302.46088	2.4
302.98215	7.7
303.04208	2.4
308.93671	1.8
311.46448	4.9
311.96167	4.7
320.94498	1.5
326.01926	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	15.4
55.05516	29.3
55.05780	4.3
57.03439	4.4
57.35561	3.4
59.88232	3.1
67.05509	42.8
69.03426	31.2
69.07075	32.3
69.83094	13.7
79.05150	3.6
79.05508	38.9
81.07065	100.0
83.04972	7.3
83.08622	18.0
85.06538	7.1
91.05481	41.0
93.07066	36.4
95.04964	9.1
95.08611	40.3
97.06550	22.6
98.21490	4.6
100.46082	3.3
105.07041	33.0
107.04917	3.5
107.08585	26.2
109.06509	12.7
109.10181	22.0
111.08025	5.5
117.07011	8.5
119.08592	36.4
121.06508	5.4
121.10173	25.4
123.08076	10.3
123.11721	12.7
125.09689	4.7
131.08566	14.9
133.10149	33.5
135.08041	6.3
135.11697	11.2
136.82822	3.7
137.09615	9.8
145.10141	13.5
147.11707	20.6
149.09610	11.4
149.13229	6.4
151.11159	10.2
157.10181	4.6
159.11700	9.1
161.13275	4.9
163.11205	9.9
165.12794	7.8
171.11665	6.5
173.13295	9.4
175.11180	4.3
177.12814	3.5
191.14426	3.2
195.13708	4.6
235.16931	14.6
247.20622	5.7
257.19064	10.1
263.20157	31.2
265.21667	4.7
275.20084	74.6
289.21579	6.6
293.21051	13.6
295.22705	6.4
296.24353	3.4
307.22641	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	325.2373
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
53.03934	7.7
55.01872	23.4
55.05511	57.7
57.03437	8.0
57.07080	10.2
65.03948	1.9
67.05505	95.3
69.03429	9.3
69.07070	44.6
70.79746	3.9
71.04974	6.3
71.08620	6.3
79.05496	53.4
81.03422	11.1
81.07058	97.0
83.04988	20.6
83.08617	33.8
85.06544	12.5
85.10191	8.6
91.04909	2.2
91.05483	53.9
93.07047	64.9
95.04966	24.6
95.08607	55.3
97.02885	5.1
97.06532	11.2
97.10156	14.8
99.04462	1.9
99.08108	8.0
102.91817	1.6
105.07030	49.4
107.04959	15.7
107.07883	2.3
107.08597	53.2
109.06518	12.0
109.10155	56.3
111.04436	5.7
111.08089	13.9
113.05980	2.1
113.09651	9.1
117.07026	13.6
119.08580	29.7
121.06497	12.9
121.10154	25.4
123.08072	13.6
123.11697	17.7
125.05955	3.0
125.09626	20.4
127.07566	1.6
128.06160	1.9
129.07021	4.5
131.01468	2.0
131.08559	21.1
133.06491	3.5
133.10129	77.3
135.08072	9.1
135.08926	1.8
135.11705	22.1
137.09637	18.5
137.13222	2.0
139.07538	4.9
139.11172	4.1
141.09077	6.0
143.08548	2.4
145.06506	1.9
145.10143	16.5
147.08051	2.6
147.11694	12.0
149.09627	19.2
149.13243	4.4
151.11185	61.6
153.09128	2.5
153.12715	4.7
155.08530	2.1
157.10120	5.2
159.08017	3.8
159.11691	11.6
161.09648	5.2
161.13226	5.5
163.11201	23.8
163.14761	2.7
165.09111	6.0
165.12721	6.2
167.10635	3.1
169.10165	4.3
169.12314	2.7
171.11630	4.1
173.09563	4.8
173.11960	1.9
173.13217	9.2
175.14767	2.1
177.12727	8.3
179.10678	8.7
179.14236	2.0
181.12221	7.3
183.11906	3.0
183.13776	15.1
187.11201	3.6
189.12718	2.0
191.10657	3.8
191.14288	3.8
193.12114	3.1
195.13759	4.1
201.12675	2.2
205.12177	3.7
207.13800	4.0
209.11641	2.4
209.15286	2.6
215.14261	1.7
219.13824	3.0
223.13394	4.5
229.19510	8.3
237.14738	3.2
238.55907	1.8
239.17854	6.2
247.20564	18.8
257.18970	16.8
265.21579	10.6
275.20062	96.9
288.41931	1.7
289.21838	3.8
293.21121	100.0
307.22672	40.9
325.23688	20.7
325.26959	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	325.2374
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
53.00292	2.3
53.03933	8.0
55.01875	15.3
55.05514	53.7
57.03422	7.4
57.07065	9.5
59.30385	1.8
60.25180	1.9
60.88644	2.2
65.03936	3.6
67.05506	94.1
69.03422	5.8
69.07068	43.4
70.48032	5.2
71.04981	8.7
71.08627	6.4
73.06560	2.8
78.48827	2.0
79.05490	50.6
79.96841	2.4
81.03406	7.9
81.07056	98.9
83.04978	22.9
83.08620	34.9
85.02897	5.6
85.06532	11.2
85.10191	6.3
91.05479	52.0
93.06485	4.1
93.07043	64.5
93.07632	3.2
95.04965	29.9
95.08610	63.6
97.02892	2.8
97.06528	13.4
97.10153	10.9
99.08086	8.0
105.07034	55.1
107.04986	14.3
107.08594	56.1
109.06522	13.2
109.10152	48.9
111.04441	6.5
111.08095	9.7
111.11747	2.5
113.08621	2.1
113.09631	7.6
115.07513	2.4
117.07001	11.6
119.08582	23.4
121.06509	13.0
121.10157	23.4
123.08062	11.8
123.11684	16.6
125.09633	14.3
129.06952	4.3
131.08571	20.7
133.06528	3.0
133.10132	77.3
135.08060	10.0
135.11700	20.2
137.09650	15.2
137.13239	2.9
139.11205	2.8
141.07066	2.0
141.09100	5.4
143.08537	4.2
145.06516	3.2
145.10121	23.7
147.07973	2.5
147.11700	13.0
149.09581	18.9
149.13266	6.1
151.11177	74.2
151.12367	5.0
153.12727	6.3
155.08505	2.8
157.10022	4.0
157.60242	2.1
159.08080	3.6
159.11734	13.4
161.09599	5.6
161.13304	2.6
163.11150	20.2
164.27451	2.2
165.09148	2.4
165.12772	7.0
167.10648	3.2
169.10135	3.6
171.11661	5.4
173.09535	2.1
173.13257	9.3
175.11194	3.9
177.12703	12.6
179.10643	10.3
181.12228	9.8
183.11792	4.0
183.13820	35.1
187.11186	4.4
191.14267	5.9
193.12239	2.4
195.13847	6.8
197.13293	3.1
198.32390	2.3
201.12749	3.0
205.12239	4.1
207.13806	6.8
209.11769	2.5
209.15515	3.1
211.13293	6.8
215.14270	2.3
219.13828	5.4
223.13254	2.7
229.14317	8.4
229.19505	6.2
237.14821	5.0
239.17987	4.7
247.20560	26.7
257.19034	18.0
265.21729	13.9
275.20056	100.0
279.23233	2.5
289.21561	6.6
293.21109	80.9
307.22665	57.1
307.25333	1.6
325.23776	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76843	0.5
55.01872	1.2
55.05518	8.3
57.03429	0.5
57.07078	0.6
59.60078	0.4
63.61633	0.5
66.31912	0.5
66.91666	0.5
67.05247	0.5
67.05514	5.9
69.03427	0.9
69.07076	6.3
69.79206	2.6
71.08641	10.2
79.05498	5.1
81.03421	0.7
81.07066	4.5
83.04984	0.9
83.08617	3.9
91.05477	1.4
93.07037	3.8
95.04970	2.1
95.08596	2.4
97.06555	0.7
97.10175	5.9
98.20891	0.8
99.08104	7.2
105.07018	1.7
107.04975	2.2
107.08619	4.1
108.05745	1.0
109.06532	1.1
109.10165	1.0
111.08083	0.9
117.07076	1.0
121.06509	4.1
121.10170	0.7
123.08080	0.6
125.09642	6.2
131.08563	0.9
132.96570	0.5
133.10132	0.5
135.08038	1.4
135.11726	0.9
145.06374	0.5
145.10132	0.8
148.51137	0.6
151.11165	1.5
153.09123	0.9
159.11801	0.5
163.11191	0.6
164.12048	0.8
165.12724	1.0
171.00841	0.6
177.12775	2.2
195.13794	0.5
203.12782	2.9
237.14580	0.6
244.25760	0.6
257.19104	0.9
265.21649	0.7
275.20032	4.0
293.21130	100.0
294.21497	0.8
307.19107	0.7
307.22693	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	325.2375
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
55.01872	11.5
55.05514	39.1
57.03437	6.7
57.07064	8.3
67.05510	59.0
67.14827	2.5
69.03432	3.7
69.07073	25.3
69.74525	11.3
69.74937	6.8
71.04990	8.0
71.08629	11.4
79.05503	38.3
81.03426	7.7
81.07062	62.0
83.04976	10.5
83.08630	24.1
85.02937	2.9
85.06532	6.7
85.10188	3.4
91.05494	27.0
92.61781	2.8
93.07052	40.2
95.04973	20.7
95.08614	42.8
97.02937	3.1
97.06532	10.4
97.10197	15.4
98.21468	5.4
99.04496	2.8
99.08116	8.1
105.07043	26.4
107.04942	10.1
107.08591	34.2
109.06533	12.0
109.10150	31.9
111.04429	7.7
111.08096	11.9
111.11795	2.7
113.09654	6.3
115.34483	2.6
117.07012	6.9
119.08596	21.2
121.06532	7.8
121.10160	17.5
123.08073	9.7
123.11700	9.2
125.09625	12.5
125.34955	2.5
129.06946	3.8
131.08585	15.5
133.06493	3.1
133.10153	32.8
135.08083	6.4
135.11693	12.8
137.09625	9.4
140.93683	3.2
141.09186	3.7
143.08534	3.8
145.10110	13.1
147.07933	3.0
147.11688	8.9
149.09679	13.5
149.13278	8.0
151.11217	27.1
153.12665	4.0
157.10176	3.3
159.11679	13.1
161.09689	3.9
161.13245	4.3
163.11241	15.7
165.12753	6.4
173.13226	4.9
175.11162	3.6
177.12790	9.9
181.12247	5.5
183.11882	2.7
183.13847	9.2
187.11169	2.9
193.12285	3.6
195.13797	8.2
205.12277	3.4
229.19516	4.6
237.14815	5.7
239.17957	4.0
247.20665	10.0
257.19019	8.7
275.20068	65.0
293.21121	100.0
307.22766	50.9
325.23898	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03938	5.2
55.01880	17.7
55.05511	29.5
56.66858	2.9
57.03425	5.9
67.05503	53.7
69.03433	4.7
69.07079	31.2
70.93276	5.6
71.04997	5.1
72.08615	2.9
79.05486	37.7
81.06593	5.9
81.07059	100.0
83.04976	8.3
83.08624	19.9
83.09034	4.9
85.06556	5.7
91.05492	38.0
93.07056	44.5
95.04955	10.4
95.08611	47.3
96.73694	3.1
97.06530	23.2
97.10152	7.4
99.08099	6.3
105.07040	41.7
106.43130	3.0
107.04951	6.7
107.08594	32.1
109.06510	16.3
109.10164	24.4
111.04433	3.6
111.08115	6.5
117.07001	13.7
119.08588	36.9
121.06490	5.0
121.10150	19.8
123.08038	8.2
123.11693	10.1
125.09626	4.8
129.07005	8.2
131.08565	19.3
133.10141	40.7
135.08066	10.1
135.11687	12.7
137.09619	9.5
145.10127	16.3
147.11736	27.8
149.09619	12.9
149.13274	8.3
151.11194	8.9
154.43484	3.4
156.35645	2.9
157.10091	9.1
159.11688	11.4
161.13231	6.0
163.11186	12.5
165.12744	12.5
169.10179	3.6
171.11644	7.8
173.13283	10.5
175.11153	9.4
177.12727	6.1
183.11659	4.1
187.11215	3.7
191.14333	3.3
193.12268	4.2
193.15932	3.2
195.13924	4.2
197.13258	4.6
198.52591	3.3
207.94406	3.5
215.18195	3.3
235.16949	8.7
239.17888	8.7
247.20618	5.1
257.18967	12.7
263.20044	41.2
275.20065	62.5
289.21649	15.4
293.21057	12.8
295.22675	8.5
307.22620	21.3
325.23666	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	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03967	2.8
55.01867	9.4
55.05499	9.0
65.03913	2.3
67.05499	17.3
69.06738	2.5
69.07069	30.9
70.07002	8.1
71.04999	3.7
79.05501	16.9
81.03407	3.2
81.07068	22.2
83.04981	15.1
83.08597	6.3
91.05500	11.4
93.07038	19.7
95.04977	40.9
95.08605	14.4
96.72546	1.9
97.06527	7.5
97.10170	5.5
99.04439	3.8
105.07073	10.5
107.04942	4.8
107.08590	11.8
109.06525	7.6
109.10136	5.3
111.04447	18.3
117.06996	3.5
119.08558	9.0
121.06496	6.0
121.10130	11.2
123.08044	3.5
131.08560	6.2
133.10123	8.8
135.08081	9.0
135.11646	3.9
139.11162	3.9
145.10146	6.9
146.65298	2.4
147.11742	3.2
149.09584	6.8
149.13261	3.7
151.11214	2.5
157.10275	2.3
159.11713	9.0
161.09653	3.4
163.11206	4.4
167.14278	6.7
171.11661	3.0
171.92276	2.4
173.13242	3.8
177.12784	6.7
183.11781	2.6
187.90244	2.2
195.13742	4.8
203.12735	2.8
207.13806	4.8
219.13840	3.2
223.13255	4.8
225.14879	3.2
237.14876	36.7
237.60727	1.8
241.14386	6.2
256.09711	2.3
261.92438	2.3
268.78012	2.0
275.20096	36.3
282.05542	2.3
289.21512	3.1
293.21115	100.0
294.56842	2.2
307.22598	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	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03942	4.6
55.01866	10.9
55.05511	38.0
56.96560	4.0
57.03441	8.6
57.07088	11.3
59.04993	2.8
67.05508	78.2
69.03433	11.0
69.07072	19.9
69.82089	6.5
69.82500	6.1
70.06599	5.4
71.05005	14.4
71.08633	54.2
79.05500	41.4
81.03427	12.3
81.07059	48.5
83.04990	21.3
83.08626	19.5
84.73036	2.6
85.02909	10.1
85.06551	5.9
85.22911	2.2
88.07637	4.9
91.05487	34.4
93.07052	48.0
95.04976	34.4
95.08615	78.5
97.06554	15.2
97.10188	13.7
98.97602	4.0
99.04460	6.2
99.08109	35.2
101.06039	3.4
105.07037	28.1
107.04958	9.7
107.08613	31.4
109.06532	11.9
109.10173	46.0
109.54425	2.1
111.04440	5.8
111.08080	7.9
113.05984	4.6
117.07027	13.6
119.08584	34.5
121.06516	9.3
121.10142	21.1
123.08080	9.2
123.11728	5.3
125.09612	12.7
127.11198	3.4
128.06224	3.8
129.07043	5.7
130.07825	2.7
131.08537	16.2
132.46628	2.6
133.06567	3.0
133.10149	23.1
135.08058	6.5
135.11700	9.3
137.09628	21.4
139.11188	31.5
139.12900	2.4
141.06963	3.9
142.07784	5.6
143.08559	10.7
145.10132	18.7
147.08044	4.4
147.11736	7.8
149.02361	8.3
149.09677	9.1
149.13242	4.0
151.11200	31.6
155.08682	3.6
155.10670	55.5
155.19241	2.5
156.09390	6.4
157.10155	18.3
159.08022	4.5
159.11690	18.1
161.09583	16.7
161.13263	4.7
163.11156	14.9
165.12770	6.2
167.08600	3.9
169.10150	8.1
171.11705	11.5
173.09639	2.7
173.11768	11.7
173.13277	8.8
175.11249	4.8
176.17580	2.6
177.12729	14.5
179.10712	3.6
181.10162	4.3
183.11736	7.7
185.13260	5.2
187.11215	5.0
187.14793	4.0
191.14284	11.5
193.04984	22.3
193.10153	2.3
193.12254	5.7
195.11781	5.7
195.13876	6.1
197.13275	5.7
199.14874	4.3
202.79836	2.5
207.11633	3.0
209.13316	5.6
223.14990	5.3
224.65718	7.3
225.16251	3.9
228.23302	4.1
229.19443	4.7
233.19016	2.3
239.18002	5.1
240.61134	2.2
247.20576	5.0
256.26135	3.4
257.19049	9.9
265.21683	4.2
269.15442	5.8
275.17294	4.3
275.20081	52.5
293.21103	100.0
307.22751	24.1
325.13376	3.5
325.21783	29.1
325.26678	33.1
325.52814	2.5
325.76224	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01873	13.8
55.05512	32.5
57.03427	12.8
67.05507	79.3
69.03432	8.0
69.06779	2.5
69.07076	26.7
70.58019	5.4
70.58358	3.5
71.04974	8.0
79.05495	48.4
81.03415	19.2
81.07054	81.2
83.04987	14.6
83.08615	20.3
85.06538	5.5
91.04986	3.6
91.05486	43.6
93.07052	47.5
95.04977	21.5
95.08603	55.8
97.06531	56.8
97.10178	20.6
105.06396	5.0
105.07034	53.0
107.04961	17.4
107.08611	35.6
109.06528	14.8
109.10161	43.1
111.04440	6.0
111.08079	7.1
113.05972	3.8
117.07011	12.0
119.08591	38.1
121.06499	12.2
121.10154	24.4
122.76466	3.0
123.04447	3.6
123.08057	13.9
123.11682	7.4
125.09634	18.2
129.07050	7.5
129.57742	2.9
131.08543	24.9
133.06496	6.8
133.10132	45.3
135.08067	11.3
135.11664	14.0
137.09622	11.6
139.11185	4.7
141.06985	5.3
143.08569	7.0
145.06490	5.1
145.10135	29.7
147.08038	4.6
147.11684	14.1
149.09622	19.3
149.13263	4.6
151.11180	14.7
153.09145	3.3
155.10703	3.5
157.10147	10.0
158.56563	2.8
159.08049	6.3
159.11716	22.3
161.13228	6.0
161.82700	3.1
163.03891	2.8
163.11166	10.8
165.09120	3.1
165.12729	4.7
169.10115	7.0
169.12277	4.0
171.11693	7.6
173.09703	4.7
173.13240	10.2
175.11127	3.4
177.12744	10.6
183.11714	5.0
185.13280	3.4
187.11169	11.5
187.14806	4.5
189.11282	6.7
195.13802	6.4
197.13368	3.4
203.12775	4.8
205.12216	5.2
208.06308	2.8
213.16524	3.4
215.17986	3.5
223.13319	10.1
229.19751	4.2
233.15291	4.5
239.17952	8.7
241.14372	10.7
247.20554	6.0
257.19101	15.3
261.18469	7.3
265.21729	3.2
268.20029	2.5
271.17004	5.3
275.20078	100.0
289.17987	36.0
289.21597	11.6
293.21063	18.9
307.19077	12.4
307.22665	20.2
325.20642	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29526	3.0
53.03943	4.7
55.01863	12.7
55.05270	3.6
55.05515	46.0
56.96556	6.2
57.03436	26.2
67.05183	4.6
67.05507	61.3
69.03420	7.5
69.07070	32.0
71.05004	27.7
73.02905	3.4
73.06542	5.0
79.05071	4.8
79.05496	57.7
81.03407	8.7
81.07063	56.0
83.04972	13.7
83.08616	24.7
85.02911	5.5
85.06538	7.8
86.09694	5.8
87.10038	4.1
91.05482	54.6
91.56095	2.9
93.07043	57.6
95.01347	3.4
95.04980	25.8
95.08067	4.3
95.08611	58.2
97.06532	33.4
97.10158	32.3
98.97590	7.7
99.08089	7.7
105.04523	3.7
105.07034	55.8
106.07332	4.2
107.04952	22.4
107.08595	46.5
109.06535	21.5
109.09483	3.3
109.10157	31.9
111.08075	9.2
115.07581	8.6
116.98627	3.5
117.07018	17.5
117.40253	3.1
119.01779	2.8
119.08592	49.1
121.06520	19.3
121.10153	23.5
123.04458	3.4
123.08068	21.5
123.11706	7.5
125.05967	5.8
125.09626	30.0
129.06947	7.0
131.00139	3.8
131.08594	20.1
133.06514	5.9
133.10129	35.0
135.08064	27.8
135.11710	14.7
137.09630	17.2
139.11183	4.0
143.08603	6.7
145.06482	4.3
145.10133	22.3
147.08066	6.6
147.11693	26.9
148.12093	3.6
149.01216	5.3
149.09604	13.9
149.13199	3.1
151.07503	8.0
151.11162	7.5
153.09109	3.6
155.08594	5.8
157.10132	10.0
159.08078	34.1
159.11696	21.2
161.09579	7.6
161.13223	9.3
163.03970	7.3
163.07510	4.2
163.11180	9.7
165.12714	4.0
169.10103	4.0
171.11656	8.1
173.09648	6.6
173.13246	9.3
175.11205	6.9
181.12198	4.2
183.11642	5.0
185.09732	4.8
187.14830	4.6
189.11203	17.7
191.10533	4.0
197.13234	4.0
215.14394	4.1
233.15289	18.9
233.18909	4.4
237.14729	3.8
239.18030	7.2
243.17374	3.5
244.09618	12.8
247.20772	3.9
249.18492	4.7
251.16426	3.3
253.15781	9.8
257.19077	15.6
261.18433	3.9
263.16501	10.1
269.12631	3.6
271.16898	23.5
275.20062	100.0
279.21384	4.5
283.13940	8.2
289.18024	52.3
289.21201	4.9
293.21033	7.4
307.19019	26.7
307.22647	35.6
325.11890	5.2
325.15652	3.2
325.20456	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	325.2012
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03949	11.5
55.01677	2.9
55.01878	35.9
55.05519	31.1
57.03446	29.4
65.03951	5.2
67.05511	79.1
69.03435	5.8
69.07074	30.1
70.03715	5.5
70.04121	8.7
79.05499	66.6
81.03419	15.9
81.07064	85.4
83.04982	36.6
83.08619	12.4
85.06551	9.0
85.32010	2.8
88.60934	2.5
91.05487	71.8
92.06302	3.1
93.06481	4.5
93.07052	59.1
93.07630	3.6
95.04977	76.5
95.08614	50.3
96.05737	4.1
97.02905	9.5
97.06526	11.9
97.10176	9.6
98.07317	6.1
98.20879	3.6
103.05446	4.2
105.04533	3.3
105.07035	58.6
107.04961	100.0
107.08592	28.4
108.05729	8.5
109.06523	46.0
109.10143	23.2
110.07336	3.3
111.04456	9.7
111.08100	3.2
112.05216	10.5
113.06026	8.0
115.05505	3.0
117.07018	35.8
119.04935	6.3
119.08584	39.4
121.06500	23.8
121.10169	15.1
122.07307	33.4
123.04440	11.6
123.08063	10.3
123.11706	3.3
125.05957	6.0
125.09618	7.6
128.06221	8.2
129.07039	20.2
131.08585	31.1
133.06509	28.7
133.10138	18.3
135.08064	19.6
135.11702	11.8
137.09642	34.4
141.07024	8.0
143.08575	16.4
145.06493	20.0
145.10106	21.3
146.07243	3.9
147.08055	43.0
147.11725	6.8
149.09631	7.3
151.07558	7.6
155.08568	4.9
157.10077	6.9
159.08093	4.5
159.11685	8.3
161.09653	36.9
161.13214	6.2
162.10416	9.3
163.11240	11.0
165.09105	12.0
169.10228	5.8
171.11720	11.3
173.09572	3.8
173.13286	15.0
175.11256	6.9
177.12733	3.1
179.14252	3.7
185.13214	2.7
187.11130	5.8
187.14888	16.3
189.11264	4.2
189.12799	13.5
190.13493	3.0
197.13278	6.4
203.14383	3.9
205.15875	16.7
215.14224	13.1
216.14932	3.3
233.15379	92.7
251.16490	26.9
262.19559	3.9
273.18564	10.2
275.16437	2.6
275.19885	2.9
290.18732	23.3
291.19531	8.3
325.20258	4.0
331.62500	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	325.201
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
51.02371	3.4
53.03951	18.1
55.01875	16.1
55.05273	3.1
55.05513	39.6
57.03436	26.5
57.07061	4.5
60.46650	2.2
61.68958	2.1
63.98422	2.1
65.03922	5.2
67.05508	100.0
69.03440	12.8
69.07076	29.3
69.21336	17.8
71.04984	10.1
79.05069	4.2
79.05495	58.1
81.03416	46.2
81.07059	95.9
83.04984	45.2
83.08626	19.6
85.06553	11.9
91.05479	53.1
93.06486	4.3
93.07045	65.4
95.04973	29.4
95.08609	71.0
97.06525	64.9
97.10166	15.1
98.97577	2.5
99.04468	2.7
99.08090	4.9
103.05479	3.4
105.07029	58.0
107.04310	3.1
107.04964	36.6
107.08598	41.8
109.02940	3.1
109.06532	19.3
109.10161	47.6
111.04440	28.9
111.08086	12.4
113.05995	5.5
115.88943	2.2
117.07016	24.2
119.04959	3.2
119.08579	34.2
121.06515	18.4
121.10136	22.1
123.04411	6.7
123.08070	27.0
123.11690	5.6
125.05983	6.1
125.09647	14.2
128.06221	3.2
129.06992	5.7
131.04855	2.7
131.08582	31.0
133.06503	7.9
133.10136	45.6
135.08066	20.9
135.11696	21.5
137.06018	2.8
137.09612	12.8
137.13231	2.6
139.11160	3.8
141.06931	4.5
143.08565	6.4
144.09357	3.4
145.06476	21.4
145.10129	22.8
147.08067	9.5
147.11650	14.2
149.05966	2.8
149.09627	13.6
149.13254	10.7
151.07549	6.3
151.11174	15.9
153.09108	2.5
155.08519	5.2
157.10083	8.7
159.08070	15.7
159.11716	31.8
161.09645	5.6
161.13213	6.7
163.07506	5.6
163.11208	12.7
163.12433	3.2
165.09183	5.4
165.12721	3.9
169.10126	12.6
169.12296	2.4
171.11667	6.4
173.09618	5.8
173.11807	4.7
173.13225	7.2
175.11217	5.6
177.09218	4.3
177.12770	26.5
179.07088	3.0
179.14307	2.4
183.11662	2.9
187.11200	26.3
189.11201	5.9
194.94893	2.4
195.13852	15.5
197.13310	4.1
203.12732	5.0
205.12230	9.2
205.15939	4.4
214.81732	2.8
215.14383	3.5
215.17967	2.9
223.13287	28.6
229.15730	2.5
233.15413	19.2
239.17897	7.1
241.14368	38.2
243.17412	5.9
247.20576	3.3
253.15913	3.9
257.19052	11.4
261.18573	19.0
271.16931	16.5
275.20065	69.0
279.19284	2.5
289.18021	88.5
289.21350	9.1
293.21033	10.1
307.19009	32.7
307.22668	8.3
325.14072	3.0
325.20251	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.81642	1.9
52.52831	2.0
53.03939	5.8
54.26773	2.0
55.01876	17.0
55.05511	41.2
56.96572	12.2
57.03442	28.8
57.07070	3.5
59.05024	4.0
63.98450	1.9
67.05178	3.4
67.05511	46.7
67.66199	1.9
69.03429	14.7
69.07069	36.9
69.24014	2.0
69.71878	11.5
71.05005	10.4
71.05347	2.7
73.02966	2.4
79.05497	40.9
81.03426	43.8
81.07060	61.9
82.07399	2.3
83.04980	21.5
83.08624	29.0
85.02899	9.1
85.06559	19.9
91.05483	31.8
93.07059	37.8
95.04978	46.9
95.08621	54.7
97.02880	3.0
97.06535	22.9
97.10181	36.0
98.20900	4.2
98.46980	2.4
98.97582	8.1
99.04444	3.5
99.08083	3.1
105.07052	25.3
107.04961	21.8
107.08602	30.3
109.02892	3.8
109.06529	100.0
109.10164	19.8
111.04444	8.7
111.08105	18.1
111.11694	3.1
113.06012	16.7
115.07571	9.7
117.07032	13.2
119.08610	22.8
121.06517	53.9
121.10155	13.2
123.04409	3.4
123.08075	38.1
123.11688	10.3
125.09634	30.9
127.07537	2.7
129.07030	5.9
131.08594	13.6
133.06470	4.5
133.10129	8.8
135.08070	16.0
135.10814	2.2
135.11671	10.7
136.95973	2.5
137.05994	4.0
137.09616	21.6
139.07529	5.1
139.11197	2.3
141.06996	2.9
141.09116	23.5
143.08536	4.3
145.06471	2.5
145.10139	11.7
147.08090	5.6
147.11688	5.2
149.09647	4.7
149.13261	4.5
151.07574	5.6
153.09103	17.8
153.12750	9.0
154.49866	2.0
155.08476	2.2
157.10170	4.3
158.99631	2.4
159.08038	19.3
159.11693	8.9
161.09625	7.2
161.13292	2.5
163.03876	3.6
163.07542	8.0
163.11189	8.6
165.09117	5.7
165.12717	5.8
169.08745	4.0
169.10130	5.9
171.10149	3.3
171.11743	2.3
173.09651	4.8
173.11806	3.4
173.13269	7.2
175.11215	3.3
177.09146	4.0
179.10616	3.3
181.12251	4.4
185.09627	3.7
185.62051	3.0
187.11269	4.1
189.11232	19.8
189.12706	3.7
191.10718	4.2
191.14299	3.5
193.12097	4.3
199.11182	3.4
201.12793	3.5
205.12241	5.4
205.15921	4.4
215.14336	7.5
217.12228	6.3
219.13797	13.2
221.15274	4.2
223.13319	12.3
225.16440	3.7
233.15424	19.3
235.13083	4.7
237.14839	7.9
243.17487	4.7
249.14929	3.6
251.16318	3.5
253.15826	8.4
261.18488	12.1
263.16562	2.3
271.16940	26.1
278.64883	3.2
289.18005	80.1
300.64212	9.7
301.14728	3.1
306.64267	3.1
307.19086	70.3
307.26306	4.9
316.15436	4.2
325.10471	3.8
325.19919	28.5
325.27402	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.77936	4.0
53.03936	7.8
55.01878	25.5
55.05271	5.0
55.05512	80.6
56.96558	8.0
57.03441	31.4
57.07056	3.9
59.04994	11.4
65.59008	3.3
67.05173	6.3
67.05506	70.7
69.03420	10.4
69.07065	29.3
69.31354	3.6
71.04984	14.4
71.54586	4.6
73.02927	4.1
79.05491	67.8
81.03427	28.5
81.07059	95.5
83.01332	15.9
83.04980	54.7
83.08624	62.1
85.02899	11.6
85.06548	8.4
91.05479	45.8
93.06496	4.9
93.07050	79.1
95.04971	22.6
95.08606	44.5
97.02888	8.1
97.06528	24.7
97.10181	59.1
98.97586	7.3
99.04465	9.4
99.08102	9.4
105.07037	37.2
107.04986	17.8
107.08595	49.0
109.06510	32.6
109.10159	43.8
111.04446	38.5
111.08076	26.0
112.99078	4.4
113.05958	5.0
117.07008	26.4
119.04939	5.2
119.08585	59.9
121.06491	14.8
121.10160	31.5
123.08079	57.7
125.05943	5.8
125.09644	39.8
128.01672	3.6
129.06982	8.0
131.08562	22.3
133.06474	7.3
133.10098	21.0
135.08008	20.4
135.11694	35.5
137.09538	19.8
143.08517	9.6
145.10115	46.7
147.08061	9.3
147.11694	9.0
149.09618	10.6
149.13286	5.4
151.07521	12.6
153.09125	9.0
153.12714	20.3
155.08511	7.5
157.10114	8.2
159.08052	15.3
159.11694	10.4
161.09610	6.9
161.13239	4.6
163.03918	14.2
163.07501	5.9
163.11195	100.0
169.10107	5.9
171.11670	8.0
173.09642	35.7
173.13318	4.7
181.12238	39.3
185.09535	5.2
189.11229	26.9
191.10680	43.9
199.14836	5.1
209.11736	95.6
227.12735	61.0
233.15428	5.6
235.16927	5.1
239.16396	13.6
243.17482	6.9
244.09804	4.8
245.15410	4.9
261.18475	12.6
263.16431	46.7
271.17038	18.3
275.20337	4.2
281.17429	10.5
283.13797	4.4
289.17996	54.6
307.19052	73.4
325.06723	5.2
325.20282	7.9
326.59024	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	325.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
53.93686	0.5
55.01866	1.1
55.05527	2.8
55.26301	0.7
56.96564	0.8
56.99272	0.5
57.03445	0.7
59.05014	1.1
67.05517	4.9
68.13828	0.6
69.03420	1.9
69.07080	5.4
70.06599	0.9
71.05003	2.6
71.09856	0.7
71.53689	0.6
71.54087	0.8
79.05506	3.5
81.03441	1.7
81.07060	10.9
83.04980	1.2
83.08622	2.0
85.02909	1.9
85.06557	1.7
87.04503	1.0
89.06029	0.6
91.05478	3.9
93.07060	4.5
95.02547	0.6
95.04980	1.3
95.08605	6.3
95.09105	0.6
97.02888	1.3
97.06545	2.0
97.10201	1.0
98.97599	2.0
99.04485	0.5
99.08055	0.5
103.05482	2.8
104.29706	0.5
105.07047	4.3
107.04961	1.0
107.08604	3.5
109.06543	1.9
109.10172	5.5
111.04468	0.6
111.08119	0.9
111.47222	0.5
116.98640	1.0
117.07002	0.6
119.08603	1.8
121.06496	0.9
121.10144	3.5
123.08108	1.3
123.11718	6.3
125.09666	1.7
127.03933	0.7
129.07040	0.8
131.04953	3.3
131.08568	1.4
133.02812	0.9
133.06516	0.9
133.10164	2.3
135.04445	0.6
135.11716	1.8
137.05978	11.4
137.06944	1.0
141.06987	1.0
145.05011	0.6
145.10150	1.7
145.81870	0.6
147.08109	1.2
149.09492	0.7
149.13297	1.5
149.22583	0.6
151.07576	8.1
157.10114	0.7
163.03918	4.7
163.07564	7.5
163.08820	0.9
163.11169	2.9
169.06555	1.3
175.07594	3.1
175.14885	0.7
177.02255	0.5
187.07677	0.8
189.12749	0.6
201.05589	0.8
201.09125	1.7
205.06450	0.7
205.10176	0.9
219.01917	0.9
226.08667	0.6
233.06052	0.7
233.09651	1.2
237.08943	0.7
247.07784	0.6
250.06198	0.6
253.08923	0.6
261.09177	1.0
265.08661	1.1
265.12192	0.8
269.12225	0.7
270.00385	0.7
289.18204	1.3
293.08182	1.9
293.11734	1.8
297.11353	0.9
307.09637	0.7
307.19275	0.9
307.26608	1.1
325.07462	2.2
325.16315	100.0
325.27048	3.0
326.16629	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26074	0.6
55.05501	2.1
56.96559	2.2
57.03428	0.7
57.83709	0.6
59.05011	0.6
67.05511	3.5
68.75320	0.5
69.03446	1.4
69.07056	2.2
69.13257	0.5
71.05000	1.2
73.02939	0.7
79.05490	2.8
81.03425	1.0
81.07062	3.5
83.04977	1.7
83.08607	0.8
85.02905	1.4
85.06561	0.7
91.05493	5.4
93.07056	3.1
95.04952	1.9
95.08605	2.9
97.02972	0.7
97.10155	0.8
98.21535	1.3
98.97569	2.4
103.05459	3.7
105.07029	2.5
107.04932	1.7
107.08602	1.9
109.06487	0.8
109.10168	2.0
115.05453	3.6
117.07023	3.9
119.04994	0.7
119.08582	5.5
121.10136	1.6
122.03639	2.0
123.08059	0.7
123.11691	1.1
125.09659	1.1
128.06232	1.7
129.06999	3.0
131.00177	1.1
131.04935	5.6
132.05751	2.9
133.02806	0.7
133.10121	1.1
135.08023	1.2
135.11700	1.5
137.05989	29.8
137.09573	0.6
141.07045	3.4
145.06458	1.5
147.08055	9.0
147.11673	1.1
151.07545	1.1
157.06456	1.1
158.99680	1.0
160.05182	2.4
161.05977	2.9
161.09631	0.9
163.03893	2.9
163.07544	6.1
163.11195	1.8
169.06535	6.2
175.07559	40.8
179.30597	0.6
187.07608	0.8
189.09109	3.0
190.02654	0.9
201.09171	3.6
203.10728	0.7
223.06001	5.5
233.09595	0.9
243.08835	0.8
243.58928	3.0
261.09311	1.4
265.08652	1.2
284.08752	0.7
289.17896	1.5
293.11661	1.6
307.15198	2.0
324.61700	1.5
325.16473	100.0
326.16507	1.3
343.01108	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.2
56.57761	1.0
56.96562	2.2
57.03447	1.9
65.65739	1.1
67.05498	4.3
69.03412	1.6
69.07041	4.3
69.07375	1.0
71.04981	1.0
71.53927	1.3
76.99733	1.1
79.05495	5.1
81.03389	1.6
81.07059	5.8
82.28704	1.2
83.04955	1.2
83.08617	1.6
85.02895	3.8
85.06509	1.4
91.05492	9.8
93.07050	3.4
94.04185	1.5
95.04952	2.4
95.08605	4.2
97.02926	1.6
97.06554	1.7
98.97557	2.9
103.05479	8.9
105.07030	4.9
107.04942	3.0
107.08591	4.5
109.06520	2.5
109.10160	1.8
111.08072	1.4
115.05473	8.6
115.42612	1.2
117.07029	8.0
119.08607	11.4
121.06537	1.3
121.10136	1.8
122.03620	6.3
123.11700	1.0
124.07528	1.2
128.06213	4.1
129.07031	9.9
129.36363	1.0
131.00197	1.5
131.04054	1.4
131.04942	15.6
131.08621	1.6
132.05707	6.5
133.06503	2.1
133.10147	2.1
135.08009	2.6
137.05991	78.2
137.09554	1.3
141.07021	11.1
145.06474	3.5
147.06955	1.9
147.08054	24.3
151.07526	2.4
157.06497	2.7
159.08092	2.1
160.05240	5.7
161.05969	4.1
163.03928	2.4
163.07567	15.4
163.11246	1.6
169.06509	18.3
175.07567	100.0
186.06798	1.4
187.07520	3.5
189.09163	7.9
190.07803	1.7
201.09160	7.6
203.10759	1.3
205.10023	2.0
223.05898	1.6
233.05927	1.3
233.09624	2.6
237.09120	1.4
243.58934	2.3
261.09140	3.2
265.08694	1.6
265.12195	2.5
269.12247	1.8
271.17020	1.9
278.09265	1.2
289.17908	1.5
293.08286	1.6
293.11621	4.3
307.09531	2.1
307.15479	1.8
307.18881	1.6
324.61548	2.4
325.07578	2.0
325.16110	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1399
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.01989	0.2
56.96549	0.3
57.35178	0.2
61.02925	0.4
66.35003	0.2
69.03430	0.8
70.40528	0.6
70.40882	0.4
85.02907	1.0
91.05486	0.3
94.68856	0.2
97.02888	0.3
98.97641	0.3
112.99148	0.9
114.64290	0.2
116.98685	0.2
117.05782	0.5
118.06544	4.0
127.03938	0.4
130.71808	0.2
131.00212	0.3
133.07613	3.3
145.07614	100.0
146.08412	2.1
147.09178	0.5
154.05707	0.3
163.08672	58.2
196.45152	0.3
199.96371	0.2
200.16522	0.2
235.04849	0.4
258.09183	0.2
325.13947	86.7
326.14337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01854	1.6
55.05504	1.1
56.96551	0.6
57.03433	5.4
61.02924	1.2
63.02433	0.4
66.66508	0.4
67.05490	0.3
69.03429	13.7
69.07059	0.4
70.06581	1.3
70.10006	0.7
70.10354	1.5
71.01340	0.8
71.04998	6.6
71.08630	0.5
72.08149	0.7
72.88953	0.4
73.02906	0.8
75.04472	0.4
79.05504	1.2
81.03421	16.0
81.07054	4.3
83.08645	0.6
84.08147	0.7
85.02911	4.1
85.06541	2.7
86.06880	0.8
86.09737	1.0
87.04416	0.5
91.05479	5.4
97.02898	1.4
98.97610	0.5
99.04469	6.1
99.08101	2.7
107.04301	0.7
107.04963	8.0
109.06511	4.1
111.13060	0.4
117.05463	1.1
117.07010	0.5
117.09136	14.4
118.06549	3.8
119.04950	6.7
120.08109	0.6
124.07588	0.8
127.03900	1.0
127.07544	8.7
128.07878	1.0
135.04420	1.3
145.04962	1.2
145.06476	2.8
145.07616	5.2
145.08633	1.0
147.08096	0.9
147.09164	5.7
155.48694	0.4
155.88579	0.5
162.07939	1.1
163.03909	100.0
164.04219	0.5
173.07111	10.2
175.08713	4.5
187.08778	0.5
188.36783	0.4
191.08159	84.6
192.08510	0.5
229.09608	0.5
233.09238	1.4
243.11398	0.5
263.10098	0.5
271.10880	0.6
275.96744	0.5
289.11865	2.0
307.12888	31.5
325.13910	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77838	0.5
54.85009	0.5
55.01868	0.7
56.96556	0.6
57.01641	0.4
57.03426	1.4
61.02921	0.8
62.29368	0.4
68.92059	0.5
69.03432	3.0
71.04982	0.4
71.52351	0.7
73.02903	0.8
75.88585	0.4
81.03425	0.9
81.37316	0.4
84.04501	0.9
85.02908	9.9
86.90974	0.6
97.02898	3.1
98.13498	0.4
101.00874	1.0
112.99130	2.7
115.02435	1.2
118.06549	3.4
119.01927	0.8
127.03928	5.2
130.05051	0.8
131.00186	1.6
133.03436	3.1
133.07652	3.1
134.09987	0.4
143.01831	0.5
145.05196	3.6
145.07614	100.0
146.08446	2.5
147.09206	1.1
148.06049	1.7
149.25330	0.4
153.55861	0.9
154.04720	0.7
157.03471	0.7
159.05040	2.0
163.08678	60.3
167.01971	0.6
171.05052	2.2
175.02745	0.5
177.06065	1.0
177.91681	0.5
193.03867	0.7
205.05614	1.1
219.07164	3.8
235.04716	1.1
235.06721	1.5
244.07135	1.2
245.05072	0.8
247.06693	1.1
249.08232	0.6
259.06726	0.9
265.07947	0.8
277.07822	0.5
307.08731	3.3
325.13919	91.9
326.14557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56660	0.3
53.03943	1.8
54.25871	0.3
55.01876	2.8
55.05489	0.5
56.39392	0.3
56.96559	0.3
57.03440	3.1
59.04996	0.4
59.59406	0.3
61.02913	1.4
64.29243	0.3
67.05485	0.5
69.03431	15.7
69.51947	0.6
69.52363	1.6
70.06596	0.4
71.01344	0.9
71.04660	0.4
71.04995	5.3
72.08188	0.4
73.02934	1.6
74.06074	0.3
78.85226	0.3
79.05479	0.6
81.03419	16.6
81.07038	0.7
83.04931	0.6
83.38501	0.3
84.08135	1.1
85.02897	2.3
86.09701	0.9
91.03951	0.5
91.05477	1.3
93.07040	0.9
95.04939	0.8
95.08580	0.6
97.02886	0.9
98.97572	0.8
99.04458	6.6
105.07014	1.2
107.04932	0.6
107.08595	0.4
108.37126	0.3
109.06516	0.4
109.10168	0.5
111.04455	0.3
111.65739	0.3
112.99169	0.3
116.04987	0.8
117.05477	2.1
117.06995	0.8
117.74838	0.3
118.06558	4.5
119.08578	0.7
120.08124	0.6
123.08083	0.3
124.07626	0.5
126.90298	0.3
127.03891	0.9
133.02806	0.5
133.06499	0.5
133.10104	0.5
135.04424	0.5
135.08035	0.4
137.05957	0.5
145.05008	0.5
145.06476	2.2
145.07603	7.0
147.08052	0.3
147.09178	7.2
147.11641	0.4
151.07518	0.6
161.02992	0.4
161.07117	0.3
161.09610	0.5
162.07912	0.9
163.03908	2.9
163.07492	0.7
163.08687	1.5
173.07104	12.8
175.08685	6.9
186.08020	0.3
187.08696	0.3
191.08159	100.0
192.08420	0.4
203.08185	0.7
205.09679	0.7
213.10269	0.4
215.11784	0.4
219.08615	0.4
231.11229	0.3
233.09267	1.6
247.17039	0.5
251.11136	0.3
263.16397	0.4
271.10889	0.7
289.11902	2.0
290.17758	0.3
307.12891	36.1
308.13113	0.3
316.12601	0.5
324.61591	0.3
325.13943	32.1
326.14160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.99000	0.4
51.77158	0.4
53.03960	2.0
55.01868	2.0
57.03444	3.1
59.05002	0.7
61.02937	0.7
67.05502	1.1
69.03433	16.9
69.39526	1.9
69.39935	1.1
70.06595	0.8
71.01341	1.0
71.05001	5.9
73.02921	1.1
79.05484	1.5
81.03423	16.2
81.07041	0.9
83.04967	0.8
84.08140	0.6
85.02908	1.7
91.05501	1.5
93.86227	0.4
95.04968	0.9
95.08607	0.8
98.97552	0.9
99.04465	6.1
105.07033	2.7
107.04971	0.5
107.08604	0.9
109.06492	0.6
109.10169	0.6
116.04975	0.6
117.05511	1.7
118.06554	4.2
119.08568	0.7
119.31591	0.4
121.10099	0.6
131.08551	0.5
133.06500	2.6
133.10074	0.5
145.07610	6.4
145.10065	0.6
147.09183	8.7
149.09653	0.7
151.07561	1.2
162.07874	0.7
163.03893	2.6
163.08638	1.5
173.07126	10.9
175.08688	7.2
191.08168	100.0
192.08401	0.6
195.88193	0.5
233.05956	0.5
233.09239	1.6
250.06369	0.6
263.16193	0.4
289.11853	2.4
289.14752	0.6
293.07834	0.4
299.97690	0.4
307.12894	33.7
325.13943	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	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
69.03426	0.3
70.76522	0.4
70.76883	0.3
81.03407	0.3
85.02892	0.7
91.05487	5.1
93.30956	0.2
97.02884	0.3
97.81691	0.2
107.04958	8.9
119.04945	7.8
135.04404	0.7
157.10999	0.2
163.03905	100.0
164.04236	0.6
191.08086	0.2
253.05157	0.2
325.08975	0.2
325.13940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03943	0.5
54.45219	0.3
55.01863	0.5
55.05513	1.7
57.07071	0.3
58.61654	0.3
63.91010	0.3
64.31129	0.3
65.22786	0.3
66.38312	0.3
67.05502	3.3
69.03418	0.4
69.07071	10.5
69.77973	1.8
74.02443	0.4
79.05489	3.8
81.07056	7.3
83.04987	3.9
86.09706	100.0
87.10040	0.4
91.05482	9.1
93.07046	11.6
95.04967	1.7
95.08604	1.9
97.06532	0.7
98.21484	0.6
105.07031	13.6
107.04944	0.7
107.08598	2.5
109.06522	8.9
109.10159	0.8
111.08074	3.2
112.22439	0.3
114.38036	0.3
117.07021	0.6
119.08586	4.8
121.06473	0.6
121.10152	1.1
123.08059	0.8
123.11731	0.4
128.10713	4.5
129.06970	0.9
131.08566	4.1
132.10204	30.4
133.06531	1.0
133.10129	19.1
137.05956	0.5
140.14420	0.3
145.10155	0.5
147.11696	13.6
149.09612	2.0
149.13243	0.7
151.07585	3.0
151.11182	43.1
156.10191	1.3
157.10106	0.8
165.12746	1.9
167.14310	0.5
174.11211	0.5
175.11189	4.4
192.13788	0.5
193.12251	4.8
210.14867	0.5
222.14873	1.2
235.58173	0.3
260.20108	6.9
278.21146	31.5
296.22382	0.3
306.20670	6.9
324.21683	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	324.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.97094	0.8
55.01871	1.4
55.05497	2.0
56.05038	1.0
56.96559	3.5
57.03432	2.9
61.02915	3.3
67.05510	6.8
69.03439	5.2
69.07058	2.1
69.55774	5.7
70.06589	3.4
71.04993	2.7
72.08147	2.9
73.02898	1.6
79.05495	4.6
81.03409	3.8
81.07066	17.9
81.13509	0.8
83.08585	0.8
84.04496	2.7
84.08138	3.5
84.35242	0.8
85.02921	18.8
85.06552	92.1
86.09693	3.9
91.05487	2.8
97.02895	5.2
97.06516	2.3
98.97581	4.1
99.04475	1.2
99.08113	1.2
105.03389	1.5
107.04961	1.5
108.08149	0.9
109.02853	2.2
109.06526	9.9
109.10149	2.8
109.41828	0.8
111.05562	1.5
115.07589	2.7
117.09135	3.4
119.04917	2.2
119.08569	2.8
120.08100	1.8
121.06551	1.0
126.05466	1.2
127.03913	4.3
127.07569	100.0
129.10173	0.8
130.51147	0.8
131.00174	1.3
136.07544	1.0
138.05476	0.9
139.05087	2.1
145.04982	4.4
145.08623	2.6
147.04370	1.2
150.09125	1.0
158.99745	1.0
162.11198	0.9
163.03928	18.1
163.05956	1.2
167.11813	1.5
176.09114	1.4
181.08661	0.8
190.08549	0.9
190.10428	1.3
190.57008	1.0
195.11259	3.2
203.02180	1.0
204.08536	3.3
218.10043	3.7
218.71495	0.8
235.85272	0.9
236.10974	1.2
243.08823	1.7
246.09634	2.1
264.10675	10.0
274.09009	1.0
292.10126	3.8
301.69339	0.9
324.12720	12.5
324.15234	0.9
324.18210	2.4
325.12680	1.0
329.13232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
53.11812	1.7
55.01875	8.9
55.05518	29.1
57.03428	8.0
57.07091	2.3
59.11114	1.8
65.03938	2.6
67.05508	35.3
69.03421	7.4
69.07069	11.9
70.70541	6.0
70.70915	1.7
71.04993	3.2
72.10108	1.6
78.38905	1.7
79.05498	54.2
81.03440	1.9
81.07063	33.7
83.04977	7.7
83.08636	13.2
85.06554	2.3
91.05484	30.8
93.07051	31.4
95.04981	11.4
95.08618	17.1
97.06538	6.7
97.10175	19.4
105.07035	17.1
107.04964	100.0
107.08602	31.7
109.06523	6.2
109.10155	20.9
111.08098	3.2
113.06011	4.9
115.05421	3.2
116.06290	2.3
117.07042	14.5
119.08586	32.5
121.06535	4.3
121.10145	10.0
123.08087	8.4
125.09643	23.4
129.07011	6.0
131.08594	12.8
133.06497	2.8
133.10112	8.3
135.08070	43.1
135.11667	5.2
137.09616	12.3
143.08577	5.4
145.10129	15.9
147.08102	11.5
147.11694	5.4
149.09630	6.5
149.13309	2.2
153.09070	4.1
155.10689	3.4
157.10130	5.4
159.08052	2.4
159.11716	3.4
161.09636	5.1
161.13351	1.8
163.11212	4.6
165.09146	5.0
171.10252	2.3
171.11572	3.7
173.11766	13.3
175.11191	4.3
179.10596	1.9
193.12228	3.1
203.12793	12.7
227.17973	2.9
245.18987	3.0
255.17503	5.5
263.19974	2.8
273.18518	39.4
291.19562	46.9
305.21130	22.2
323.22336	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01627	2.2
55.01872	26.5
55.05513	15.8
57.03429	4.7
62.06077	1.5
65.03922	2.6
67.05177	2.2
67.05505	28.5
69.03430	7.9
69.07073	19.2
71.04977	7.8
71.24438	3.4
75.92841	1.3
77.03896	1.8
79.05493	21.7
81.03436	9.5
81.07059	33.2
83.04984	44.4
83.08594	6.5
84.80013	1.5
85.02895	3.9
85.06552	3.4
91.04915	1.7
91.05476	28.3
93.03406	2.1
93.06483	3.1
93.07042	41.1
95.04989	8.6
95.08611	33.5
97.02898	6.4
97.06534	13.7
97.10155	2.3
98.97548	2.3
99.03850	2.4
99.04459	36.0
99.08102	2.4
101.02377	2.5
105.07036	19.3
107.04956	21.2
107.08595	24.5
109.06519	13.3
109.10163	8.8
111.04446	100.0
111.08076	7.7
117.07008	6.0
119.08585	19.6
121.06512	8.2
121.10179	8.0
122.77435	1.5
123.04400	1.8
123.08063	13.7
125.05985	4.9
125.09647	11.2
129.07007	5.6
131.08566	9.5
133.06483	3.9
133.10121	25.0
135.08070	12.5
135.11673	2.2
137.05978	9.8
137.09633	14.1
142.07771	1.7
143.08527	4.2
145.10112	6.0
147.04449	2.2
147.07993	4.8
147.11679	12.0
149.09625	25.0
151.11118	2.2
153.09129	20.8
157.10143	10.1
159.11671	2.5
160.08873	1.6
161.09601	10.1
163.11110	2.7
165.12750	8.0
166.14055	1.7
171.11690	1.9
175.11191	47.1
177.12714	3.3
179.10675	5.5
181.12157	1.9
185.09631	2.2
189.12720	3.6
193.12259	35.1
203.10664	15.2
211.15080	1.6
221.11743	16.9
227.17882	3.2
235.13277	5.9
239.12756	1.7
245.18980	4.9
249.14873	1.9
249.18578	1.9
255.17409	5.2
263.20090	4.6
273.18539	27.1
277.00842	1.5
291.19531	59.2
305.21091	25.9
323.22046	7.8
323.25668	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01873	16.2
55.05317	2.6
55.05518	32.7
57.03440	86.1
57.07078	2.8
58.78669	2.9
59.21601	2.5
65.03937	4.5
67.05509	77.0
69.03430	11.1
69.07080	26.5
70.93585	7.3
71.04995	22.1
77.03928	4.0
79.05499	67.8
81.03441	14.5
81.07063	100.0
83.04979	20.1
83.08626	18.8
84.63070	2.9
85.02924	3.6
85.06546	16.9
91.05485	76.0
93.07053	79.6
95.04962	30.3
95.08611	77.1
97.06525	22.9
97.10187	8.4
99.04503	3.5
99.08108	21.0
101.05971	2.8
102.87555	2.5
103.05436	3.8
105.03391	3.0
105.07038	80.1
107.04974	21.5
107.08604	55.9
109.06516	18.9
109.10175	32.2
111.04449	9.7
111.08089	15.1
113.06002	9.5
115.05435	4.4
116.06219	3.7
117.07019	32.0
119.08580	41.4
121.06512	18.4
121.10160	35.0
123.08072	15.9
123.11687	6.7
125.09654	5.5
127.07619	6.6
129.07011	19.0
131.08578	49.6
133.06497	6.6
133.10130	64.0
135.08072	34.5
135.11679	20.4
137.09598	8.9
139.07568	4.0
141.07008	5.4
143.08588	21.0
145.06491	5.1
145.10141	39.1
147.08040	13.7
147.11746	14.4
149.09639	23.8
149.13246	11.4
151.11183	36.2
153.09074	4.9
155.08598	4.1
157.10120	21.6
159.11716	21.8
161.09642	17.6
161.13240	10.3
163.11214	8.8
167.10770	5.6
169.10115	4.1
171.11674	17.7
173.09633	3.3
173.13280	10.9
175.11206	13.2
177.12758	9.1
179.10632	5.9
181.12212	4.3
183.11681	7.9
183.13789	8.5
185.13300	8.5
187.11092	3.8
189.12688	6.5
189.16287	3.5
191.14270	5.5
195.11813	5.0
195.13873	3.3
199.14862	8.0
201.12762	11.2
203.14294	3.1
207.13821	3.6
217.15884	40.0
219.13863	12.5
221.15347	9.9
227.18024	6.9
233.15381	14.1
235.16968	6.3
237.16434	6.4
245.18980	9.0
247.17009	3.7
251.16492	3.5
255.17462	17.9
263.20016	9.0
265.17957	4.7
273.18506	73.3
277.21713	4.2
291.19534	49.2
305.21170	37.3
323.22198	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88034	3.4
53.03947	6.3
55.01865	10.8
55.05515	34.3
57.03427	8.3
62.71150	3.3
65.03957	4.4
66.21254	3.3
67.05506	75.1
69.03423	8.2
69.07072	22.9
70.04031	3.3
70.04372	16.5
71.04995	4.1
77.03925	3.8
79.05069	5.7
79.05490	58.1
81.03418	4.8
81.06595	4.9
81.07057	89.4
83.01340	5.1
83.04971	23.4
83.08624	17.9
85.06535	9.2
91.05486	64.8
93.07053	64.0
95.04975	12.5
95.08604	46.1
97.06517	12.6
97.10136	7.4
98.21519	4.9
105.07045	55.4
107.04932	11.2
107.08599	52.2
109.06518	14.4
109.10159	57.8
111.04463	6.6
111.08084	13.0
116.06222	3.4
117.07008	12.7
119.07843	4.1
119.08553	21.1
121.06522	26.0
121.10110	23.0
123.04419	5.5
123.08080	12.6
123.11698	21.5
125.06033	4.4
125.09645	6.0
128.06236	4.3
129.07018	8.7
131.08586	26.2
133.06525	19.3
133.10144	100.0
135.08043	10.9
135.11667	10.2
137.06001	4.9
137.09595	9.3
139.07524	10.5
139.11188	3.6
143.08566	10.2
145.06516	5.0
145.10127	20.5
147.08060	20.3
147.11699	8.9
149.09602	16.1
151.11185	77.7
157.10168	10.9
159.08051	6.3
159.11722	5.9
161.09604	19.0
163.11156	5.0
165.09163	4.3
171.11655	10.2
175.11223	9.1
177.09032	13.1
179.10645	10.2
183.13802	34.7
189.12859	5.8
193.79269	4.1
195.13675	4.1
203.14291	3.8
211.13354	3.6
213.12785	4.3
217.12303	3.4
227.17879	5.0
229.14311	4.5
245.18967	15.8
247.17009	3.5
255.17458	5.5
263.20090	22.5
273.18500	53.7
291.19531	99.7
298.43436	3.9
305.21118	15.5
323.22189	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01875	12.7
55.05516	32.0
57.03428	10.2
57.07079	3.1
58.05345	2.6
66.86726	2.3
67.05508	65.6
69.03431	9.1
69.07063	18.2
70.82233	6.6
71.04980	3.4
79.05500	42.3
81.03407	4.0
81.07060	82.6
83.01335	5.5
83.04997	34.0
83.08631	13.2
85.06543	8.0
91.05490	50.2
93.07049	55.3
95.04980	14.9
95.08597	32.0
97.02863	3.5
97.06517	7.9
97.10179	5.1
99.08092	4.8
105.07041	50.8
107.04967	10.4
107.08595	51.3
109.06514	11.0
109.10172	62.8
111.04443	7.1
111.08071	10.9
115.05487	2.5
117.07014	11.4
119.08595	21.1
121.06493	12.2
121.10160	16.8
123.08068	8.0
123.11773	13.0
125.05975	3.1
125.09631	3.0
128.42120	2.8
129.06990	6.4
131.08588	20.7
133.06488	11.0
133.10141	100.0
135.08069	10.2
135.11708	12.0
137.05968	2.9
137.09645	4.7
139.07544	9.9
141.09155	2.4
142.71181	2.7
143.08582	9.4
145.10115	14.2
147.08058	12.3
147.11722	6.5
149.09631	18.8
151.11186	86.6
157.10158	4.6
159.08063	3.6
159.11734	5.1
161.09656	13.0
161.13321	4.7
163.11153	4.9
164.89452	2.5
165.09120	3.3
165.12799	3.8
171.11703	6.2
173.13269	2.9
175.11165	6.6
177.09117	15.0
179.10683	12.7
183.13806	34.2
185.13271	3.7
187.11153	4.1
189.12773	5.5
191.87576	2.3
203.14426	2.9
208.78778	2.8
217.12181	5.1
229.14381	4.2
231.17291	2.7
245.19063	17.2
254.87375	2.4
255.17468	4.8
257.59225	2.7
263.20071	7.5
267.00427	3.0
273.18484	38.0
277.21786	2.9
291.19547	62.2
305.21118	28.4
323.22153	32.9
341.53979	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01872	3.2
55.05515	17.9
57.03435	1.4
59.04987	0.7
67.05511	10.7
69.03423	4.0
69.07071	12.7
70.71719	1.5
71.04990	0.6
79.05499	11.6
81.03423	2.6
81.07058	12.2
83.04971	2.5
83.08624	8.3
84.36699	0.7
85.06509	0.7
91.05491	7.8
93.07050	9.0
95.04997	3.6
95.08608	5.1
97.02884	3.0
97.06530	1.2
97.10175	15.5
105.07035	6.2
107.04981	3.2
107.08598	8.7
107.43661	0.6
109.06522	1.5
109.10146	2.9
111.08092	1.3
115.05415	0.8
117.07072	3.1
119.04940	1.0
119.08597	7.2
121.06498	2.1
121.10153	2.8
123.08044	3.5
123.11652	0.9
125.09637	14.9
129.07007	2.2
131.08583	4.4
133.06505	2.5
133.10138	2.7
135.08054	5.0
137.09628	1.3
143.08537	1.2
145.06419	0.7
145.10129	2.9
147.08006	3.7
147.11664	1.6
149.09628	1.0
153.09050	1.9
157.10138	1.0
159.11720	1.0
161.09622	1.9
163.11169	1.1
165.09126	1.8
171.10184	0.7
171.11626	0.8
175.11189	1.4
185.11679	0.7
189.11295	0.7
190.79938	0.6
193.46779	0.6
194.02856	0.6
203.12810	6.9
205.12222	1.0
215.93338	0.7
223.13307	13.3
237.14816	2.1
245.19092	1.2
249.15001	1.2
255.17520	1.6
263.20105	1.0
273.18558	7.2
291.19556	100.0
292.19769	1.1
305.21078	20.1
323.22244	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.31133	0.9
55.01863	5.0
55.05274	1.5
55.05516	24.6
57.03427	3.3
59.05031	1.1
61.57279	1.1
67.05515	13.9
69.03416	4.3
69.06726	1.5
69.07070	14.8
69.93737	4.1
69.94147	1.8
71.04986	1.8
76.28123	1.0
79.05075	1.3
79.05502	16.1
81.03410	3.3
81.07068	16.4
83.04996	2.8
83.08622	9.2
83.39884	1.1
91.05492	8.9
93.07062	11.7
95.01341	1.5
95.04964	6.4
95.08632	8.4
97.02910	1.8
97.06541	2.7
97.10181	21.0
101.08088	1.0
105.07025	9.9
107.04984	5.6
107.08599	11.4
109.06516	3.2
109.10149	5.0
111.08075	2.3
113.00871	1.0
117.07051	5.2
119.08608	8.4
121.06495	2.8
121.10132	3.9
123.08048	7.1
123.11644	1.5
125.09643	19.5
127.07581	2.8
129.07008	2.3
130.07834	1.0
131.08583	6.0
133.06506	1.7
133.10118	2.3
135.08055	4.5
137.09613	2.3
143.08554	2.9
145.10123	4.4
147.08026	3.8
147.11668	2.9
149.09636	1.1
153.09146	2.8
157.10187	1.9
157.12257	2.1
159.11670	1.2
161.09660	2.6
163.11110	1.2
165.09106	1.9
171.11647	1.3
175.11150	3.0
193.12224	1.7
203.12746	10.5
205.12282	1.2
221.11794	1.3
223.13289	13.2
225.14957	1.3
238.46101	1.4
249.14903	1.7
255.17514	2.0
273.18521	11.6
291.19565	100.0
292.19922	1.4
305.21112	20.1
323.22226	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.7
53.39367	1.9
54.61926	2.1
55.01877	16.5
55.05519	22.8
57.03439	16.9
57.07075	3.9
63.93373	1.9
65.03927	4.3
67.05505	82.5
69.03439	11.0
69.07078	17.4
70.59333	6.6
71.04968	4.1
74.57034	2.2
77.03880	2.2
77.09120	2.1
79.05492	54.1
81.03419	18.3
81.06597	4.2
81.07065	69.6
83.04990	12.1
83.08611	10.1
85.06540	14.9
91.05486	40.0
93.07049	46.9
95.04971	100.0
95.08614	29.7
97.06544	15.0
97.10151	4.0
99.08066	2.5
105.07040	32.7
106.08718	2.2
107.04963	21.2
107.08584	31.7
109.05814	4.6
109.06520	69.7
109.10162	10.1
111.08055	8.0
113.06014	29.9
117.07029	15.2
119.08595	19.8
121.06508	13.4
121.10134	13.4
123.04455	2.7
123.08088	12.0
128.06218	2.4
129.06995	8.3
131.08586	22.3
131.46405	2.7
133.06479	6.0
133.10130	14.0
135.08057	44.5
135.11697	16.0
137.05983	5.6
137.09564	6.2
141.07010	3.4
143.08553	10.8
145.06458	4.7
145.10133	15.5
147.08038	8.2
147.11638	7.1
149.09676	10.1
149.13243	10.3
151.11134	3.0
157.10088	8.2
159.08006	3.3
159.11710	11.8
161.09538	10.6
163.11189	4.6
165.09055	4.3
169.10094	3.1
171.11665	5.1
173.13306	4.6
175.11194	3.1
177.12741	11.6
183.11711	2.8
187.11174	5.7
189.12804	2.7
193.66714	2.2
195.11653	3.9
201.12735	3.1
205.12173	3.9
213.16396	2.4
217.15857	11.2
221.15340	8.8
227.17773	3.4
233.15247	2.5
235.17105	2.4
237.16402	3.4
245.18973	6.8
255.17390	7.2
273.18466	49.7
288.84146	2.2
291.19537	33.5
305.21127	45.9
323.22333	12.8
346.97919	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03932	1.0
55.01871	2.5
55.05505	2.2
57.03441	24.1
57.07072	1.4
63.03345	0.9
64.02281	1.2
65.03944	1.2
65.23843	0.8
67.05514	21.0
68.04971	0.9
69.07066	2.4
71.05009	4.2
79.05504	8.7
81.07053	7.5
83.04961	1.1
85.06553	25.2
91.05496	7.1
93.07048	6.5
95.04976	32.5
95.08620	3.7
105.07035	6.6
107.04970	2.6
107.08583	6.0
109.05802	1.8
109.06520	24.8
113.06011	100.0
117.07034	3.7
119.08595	4.0
121.06516	2.1
121.10154	2.6
123.08066	2.5
129.06995	2.5
131.02292	1.0
131.08575	6.8
133.10089	1.4
135.08063	19.4
135.11684	3.7
140.66560	1.1
143.08585	1.7
145.10100	3.8
147.08018	2.1
147.11601	1.0
149.09630	2.8
157.10162	2.0
159.11703	2.8
161.09656	3.8
163.11208	2.1
171.11687	1.9
175.11266	1.7
183.11726	1.4
185.13332	1.9
195.11589	1.2
199.14836	1.4
201.12840	1.1
217.15895	7.5
236.54486	1.0
245.19003	1.7
255.17488	1.6
273.18552	14.5
291.19550	35.8
305.21115	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32293	2.5
53.03946	5.5
55.01869	24.6
55.05512	28.9
57.03441	14.1
58.99384	2.8
62.06090	4.2
67.05503	79.3
69.03429	6.6
69.07069	31.6
69.41084	18.8
71.04987	9.4
79.05495	34.2
81.03412	6.5
81.07059	62.5
83.04976	21.4
83.08620	15.6
85.06523	10.7
90.17605	2.8
91.05479	54.9
91.74553	2.9
93.07043	49.6
95.04971	24.4
95.08609	28.7
97.06552	14.5
97.10154	8.8
98.97551	6.2
99.04468	3.8
99.08095	3.3
105.03394	3.8
105.04550	2.8
105.07026	56.7
107.04945	9.0
107.08592	46.2
109.06526	13.5
109.10160	86.4
111.04440	11.7
111.08084	6.6
113.05981	5.0
117.06998	8.3
119.08569	15.5
121.06506	31.3
121.10122	9.8
123.08083	7.0
123.11693	10.9
125.09628	5.9
127.07578	6.0
129.07036	3.9
131.08594	15.1
133.06459	2.7
133.09128	5.1
133.10129	100.0
135.08023	22.9
135.11676	6.9
137.09557	18.6
143.08493	3.5
145.10129	10.0
147.08075	6.3
147.11697	9.0
147.25221	2.6
149.09607	5.0
151.11180	73.6
153.09012	2.8
155.10654	3.0
157.10159	4.1
159.11659	6.9
161.09621	7.2
161.13228	3.7
163.07500	5.7
163.11130	3.8
169.12238	17.6
173.11745	9.5
175.11179	7.7
179.10747	3.6
187.13292	4.7
187.42822	3.1
189.11176	4.7
191.62898	3.2
197.11647	2.9
215.12720	3.3
227.17859	5.5
229.87253	3.3
245.19005	4.1
255.17404	7.7
258.99817	3.6
263.19772	3.3
273.18463	32.4
291.19547	44.6
305.21127	12.1
323.21838	10.2
323.25763	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	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.05360	5.4
53.03928	6.6
55.01870	16.3
55.05516	71.1
57.03440	34.5
57.03665	7.8
58.75892	6.8
59.44906	6.1
65.60066	5.0
67.05505	64.8
69.03428	11.2
69.07070	28.5
71.24397	7.2
79.05492	67.0
81.07053	100.0
81.21963	5.4
83.04967	15.9
83.08606	23.5
85.06525	18.1
91.05492	67.1
93.07045	84.0
95.04951	22.4
95.08619	50.3
96.95655	5.6
97.06538	14.5
97.10181	35.9
98.97596	18.8
101.45393	5.8
105.07032	69.9
107.04944	24.5
107.08589	32.2
109.06501	29.2
109.10165	13.3
111.08170	7.8
113.05950	6.7
116.61348	6.4
117.07037	42.0
119.08595	60.9
121.06506	24.6
121.10126	25.4
123.08064	19.7
125.05971	9.2
125.09604	39.3
127.22087	5.7
128.06198	7.7
129.06979	19.8
131.08582	87.2
133.06445	6.5
133.10101	26.3
135.08043	23.6
135.11697	18.1
137.09593	11.1
143.08583	43.3
145.10141	60.5
147.07994	19.6
147.11606	8.6
149.09634	13.4
151.11157	5.8
153.09096	7.8
157.10110	21.8
159.11665	23.9
161.09615	13.5
163.11145	10.6
165.09033	7.4
165.12755	7.9
169.10085	12.1
171.11671	19.6
173.13243	7.6
175.11148	10.8
181.10170	6.1
183.11717	9.5
185.13239	10.9
195.11688	12.6
199.14804	7.2
201.12773	14.8
203.12711	16.5
203.14429	8.0
219.13777	17.9
237.16533	14.8
245.19109	8.7
255.17363	17.9
258.99902	8.5
259.81363	6.6
271.11081	5.8
273.18451	93.1
277.00858	10.3
287.20001	11.3
291.19504	41.7
305.17801	8.6
305.21112	60.7
323.22101	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	4alpha-Hydroxy-18-norgrindelic acid
Peak:m/z	Relative Intensity
53.03950	16.4
55.01877	36.8
55.05513	17.4
56.25524	2.5
57.03441	7.9
60.58367	2.9
65.03938	3.8
67.05508	58.9
68.01646	2.6
69.03419	5.9
69.07074	11.8
69.71921	15.0
71.05011	13.5
78.41479	2.8
79.05498	34.7
81.03420	38.2
81.07058	66.8
83.04990	29.8
83.08627	11.6
85.06551	7.5
91.05485	24.2
93.07048	52.2
95.04983	22.8
95.08606	37.3
97.06549	22.9
97.10178	5.9
98.21487	5.7
99.04456	22.0
99.08150	4.1
105.07045	19.3
107.04959	29.9
107.08600	22.0
109.06510	29.4
109.10160	12.9
111.04445	100.0
111.08099	7.8
113.06012	3.0
117.07039	19.3
118.29337	2.4
119.04950	4.4
119.08580	12.4
119.79031	2.4
121.06522	7.7
121.10140	7.4
123.04463	2.6
123.08073	15.2
125.09647	7.0
129.07031	6.0
131.08574	16.2
133.06519	3.0
133.10150	19.2
135.08067	21.9
135.11728	27.3
137.09593	12.3
143.08580	5.1
145.06497	10.0
145.10156	5.8
147.08096	6.0
147.11739	4.3
149.09622	10.2
149.13251	14.4
151.07733	3.2
153.09116	21.2
154.63171	2.7
157.10129	3.1
159.11728	28.8
161.09642	10.5
163.11214	7.1
167.10710	2.9
169.10136	7.3
173.11728	3.7
175.11096	5.1
177.12791	23.5
179.10658	3.3
187.11160	13.5
193.12227	4.0
195.13919	2.8
201.12845	3.8
203.14476	4.0
205.12254	6.3
209.15425	8.8
209.53130	2.4
217.15791	6.5
221.15393	8.1
237.16496	3.9
245.19011	3.1
249.14900	2.9
255.17619	4.5
263.20090	4.1
273.18533	28.3
281.17239	2.6
287.20163	3.9
291.19537	34.4
305.21118	74.0
323.22211	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68745	0.3
52.88021	0.3
53.03938	0.9
55.01868	2.9
55.05513	6.4
56.96556	0.7
57.03437	5.9
59.05008	2.4
62.28747	0.3
65.03949	2.1
67.05507	26.1
69.03430	0.8
69.07070	19.0
70.50697	1.0
71.04993	5.7
73.06555	5.9
79.05495	12.6
81.03407	1.1
81.07058	14.0
83.04986	2.6
83.08627	2.5
85.02916	0.7
85.06548	5.3
91.05483	11.5
93.07049	14.3
95.04969	13.3
95.08608	9.8
97.06544	2.4
97.10167	1.2
98.97595	0.9
99.08095	100.0
103.05491	0.8
105.04567	0.4
105.07034	10.5
107.04953	2.5
107.08588	9.1
109.06519	18.0
109.10176	2.1
111.04407	0.4
111.08102	2.2
113.06001	2.9
115.05441	0.6
116.06268	0.4
116.98643	0.4
117.07018	5.0
119.04900	0.5
119.08582	7.8
121.06496	3.1
121.10148	5.2
122.77345	0.3
123.08075	4.3
123.11647	0.5
125.09628	1.4
127.07561	6.2
128.06238	1.0
129.06993	3.6
130.07788	0.8
131.08566	8.7
133.06493	1.4
133.10136	5.4
135.08064	10.5
135.11694	3.1
137.05997	0.5
137.09627	1.9
139.07581	0.5
141.07062	0.6
141.09096	2.5
142.07748	0.8
143.08588	3.8
144.09300	0.4
145.06555	0.6
145.10132	6.2
147.08046	3.9
147.11690	2.4
149.05980	0.8
149.09636	4.1
149.13303	1.0
153.09087	0.7
155.08562	0.4
157.10153	3.6
159.08070	1.5
159.10364	0.6
159.11691	3.6
161.09634	5.5
161.13278	1.6
163.11200	3.5
165.09193	0.5
169.10156	0.8
171.11679	2.8
173.09615	0.7
173.11954	0.5
173.13225	1.8
175.11157	2.5
177.12778	1.4
179.10686	0.5
179.14388	0.6
181.10139	0.6
183.11697	1.4
185.09592	0.4
185.13283	1.5
187.11179	0.9
189.12810	1.3
189.16565	0.4
193.12238	0.5
195.11871	0.8
195.13753	0.8
197.13365	0.5
199.11226	1.2
199.14857	1.4
201.12782	1.1
203.12732	0.4
203.14429	0.5
207.13661	0.4
209.13246	0.5
211.14819	0.6
213.12840	0.4
213.16443	1.0
217.15880	6.3
219.13916	1.1
227.17857	1.9
231.17432	0.9
233.15335	0.5
235.16895	0.8
237.16391	1.6
245.19043	2.1
247.17027	0.4
249.18503	1.3
255.17436	3.6
258.99936	0.5
263.20142	1.2
273.18506	17.9
275.20129	1.1
277.00809	0.6
279.19528	0.5
291.19553	20.2
305.17648	0.5
305.21069	7.9
323.18643	0.8
323.22241	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	323.1855
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03941	3.7
53.25238	0.8
53.89216	0.8
55.01876	7.3
55.05513	20.5
56.73176	0.7
56.96556	1.3
57.03443	6.0
57.07077	0.7
59.04994	1.1
65.03948	1.4
67.05508	23.5
69.03424	4.2
69.07065	6.9
70.53599	2.4
71.04987	1.7
74.97569	0.7
77.03923	0.9
79.05496	31.0
81.03408	3.1
81.07059	66.5
83.04977	4.4
83.08622	11.2
85.06524	2.3
86.40576	0.7
91.05481	17.1
93.03400	0.7
93.07048	25.9
95.04980	8.1
95.08611	12.9
97.06516	4.2
97.10177	16.4
98.97581	2.9
99.08086	1.6
103.05489	4.0
105.04555	0.8
105.07037	8.6
107.04945	5.2
107.08599	12.9
109.06523	43.3
109.10158	17.5
111.04460	1.7
111.08081	2.6
113.05997	2.3
117.07021	4.2
119.04945	0.7
119.08595	10.2
121.06518	7.9
121.10136	9.3
123.04447	5.1
123.08073	21.2
124.69500	0.8
125.09644	13.4
129.07002	2.3
131.04950	1.0
131.08591	6.6
133.06474	2.8
133.10133	3.0
135.08055	18.2
135.11633	1.4
137.09604	5.0
139.11182	2.3
143.08540	2.1
145.10129	3.5
147.08073	3.5
147.11694	2.0
149.05988	100.0
149.09613	5.2
150.06270	1.1
151.07533	0.8
153.09105	1.5
155.10661	5.9
157.10147	2.0
159.08031	1.1
159.11685	2.1
161.06046	1.4
161.09616	3.3
163.07530	2.0
163.11186	1.9
165.09142	2.7
167.10689	1.8
169.10127	0.8
171.10223	0.8
173.11751	24.2
173.13077	1.0
175.07533	2.9
175.11160	1.7
177.09068	1.3
177.12697	1.0
179.10614	0.8
181.12244	1.1
183.10208	3.1
183.11655	1.2
185.13309	0.8
187.11214	1.0
189.11229	8.9
189.12737	1.2
191.06943	0.8
193.12172	1.0
203.12808	3.0
205.12329	0.7
209.11841	0.9
213.16505	0.9
223.13164	1.3
231.13818	3.7
245.19119	1.2
255.17418	1.1
258.99884	2.4
259.16931	2.3
263.20093	0.9
269.15457	1.4
273.18506	8.2
277.00800	1.7
277.18021	5.6
282.10965	0.8
287.16470	12.3
291.19525	6.8
305.17523	31.3
305.21078	5.0
323.18509	10.6
323.22232	18.1
337.51660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1281
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03951	1.1
55.01858	3.5
55.05516	8.0
56.96308	1.1
56.96567	13.4
57.03432	2.1
59.04987	1.8
65.11539	1.0
67.05511	7.0
69.03419	2.9
69.07068	8.5
69.86182	4.2
71.04995	2.0
71.87072	0.7
79.05498	11.0
81.03411	2.3
81.06659	0.9
81.07071	10.5
81.33069	0.8
83.04971	3.1
83.08616	2.8
84.96017	2.2
85.02884	1.4
85.06506	1.2
86.09672	0.8
91.05486	6.9
93.07047	9.1
95.04986	6.8
95.08155	0.9
95.08615	9.6
97.02901	1.1
97.06538	13.9
97.10159	5.7
98.97574	6.2
99.08078	1.0
100.25496	0.8
103.05443	2.1
105.06321	1.1
105.07035	14.9
107.04949	3.5
107.08603	4.8
109.06515	3.9
109.10154	3.8
110.97579	1.1
111.04446	2.7
111.08112	4.5
111.48582	1.0
112.08871	5.7
112.99129	1.6
115.05468	4.3
116.06844	1.1
116.98580	1.9
117.07018	1.6
119.08585	4.5
119.10523	0.8
121.06489	3.4
121.10148	3.0
122.03697	1.6
123.04458	1.3
123.08059	3.5
124.99132	6.5
125.09653	5.3
128.06140	1.6
128.98625	0.9
129.07007	2.8
131.00142	1.7
131.08580	2.1
133.06493	8.8
133.10130	2.7
135.04428	1.8
135.08098	6.2
135.11642	1.2
137.04988	0.9
137.05977	14.3
137.09676	1.5
139.03897	1.3
139.07588	0.8
141.02139	1.4
143.00169	8.4
145.10100	1.2
146.03622	5.0
147.04382	1.4
147.08034	2.2
149.05992	11.4
149.09616	1.3
151.07542	1.9
152.98590	1.3
153.09099	1.6
158.99687	1.3
159.03209	0.9
159.04422	1.6
159.08049	1.2
159.11671	1.7
161.01262	4.3
161.02364	2.7
161.05986	77.8
163.03931	5.3
163.07637	1.4
165.05521	0.9
165.06900	1.2
165.09012	0.9
167.00150	1.1
167.03629	1.2
167.04897	1.9
169.01714	2.4
169.49666	0.9
170.99672	4.0
171.08087	1.7
173.02383	4.7
173.11783	2.0
174.04416	3.1
175.07523	2.3
176.07307	0.9
177.00638	1.5
177.05545	1.0
177.09105	1.7
179.07019	1.0
183.04912	1.7
184.05174	1.5
185.01198	3.3
185.05981	2.2
185.09659	1.2
187.02760	1.1
189.00726	3.7
189.11227	2.8
190.07700	1.2
191.03432	3.1
191.08531	2.8
192.09390	2.0
194.99712	1.1
199.07555	5.9
201.08932	1.1
202.07773	16.6
203.02219	1.5
203.08562	24.8
204.09340	1.1
205.06451	2.6
213.00731	3.9
213.07089	2.0
215.06981	8.2
216.07405	1.1
217.10188	1.0
218.99669	1.2
219.08087	9.0
220.08868	8.6
221.09668	1.1
223.04309	2.0
223.54691	1.1
227.04442	1.2
230.07216	4.4
231.01808	5.5
231.08057	48.6
231.17348	0.9
232.08763	6.1
233.06067	1.4
234.06586	1.1
235.11168	2.0
235.99950	1.0
236.05206	2.4
237.00639	1.8
237.09105	1.5
241.08632	2.5
243.05971	2.3
243.56200	1.4
245.05759	3.2
245.09602	1.8
246.10130	0.9
247.07532	7.3
248.05777	1.4
248.08331	23.5
249.02878	6.8
252.06468	11.2
252.56595	2.6
254.00938	1.3
254.06177	1.7
255.01659	0.9
258.06699	4.1
259.07538	35.1
259.09790	10.1
259.16846	2.7
260.08286	27.7
261.06949	9.1
261.57260	4.0
262.09879	2.0
263.10657	21.0
263.13290	1.5
265.08704	2.1
267.03922	6.0
269.15326	3.0
272.58017	2.0
273.08643	1.3
273.11243	2.4
275.06998	5.8
276.04938	1.7
276.07816	20.1
277.08624	4.0
277.17978	1.1
280.11023	1.1
285.04959	2.6
287.16397	8.1
290.05716	1.9
290.09314	0.9
291.10150	100.0
292.07666	1.0
292.10666	4.4
293.08203	5.4
295.13266	2.2
302.09055	1.6
305.14148	1.5
305.17462	9.3
307.09503	1.1
308.10419	6.0
323.12775	85.2
323.18777	3.7
324.13083	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.22837	0.6
53.03939	0.8
53.62645	0.6
55.05507	0.8
56.96549	0.9
57.03421	0.9
64.37072	0.6
67.05492	2.8
69.03416	2.4
69.07032	0.8
71.04627	1.3
77.03917	0.6
79.05505	3.0
81.03423	0.8
81.07055	1.6
83.04959	0.9
83.08562	0.6
84.08107	0.7
84.22984	0.6
85.02883	1.1
91.05486	4.9
93.07049	14.4
94.04183	1.4
95.04978	3.6
95.08572	0.7
98.97568	1.5
103.05432	1.8
105.03366	0.8
105.07031	9.2
107.04935	0.9
107.08566	1.2
109.06493	1.7
111.04410	0.7
111.08067	0.7
115.05465	3.3
117.03436	0.6
118.04180	1.4
119.08536	1.4
121.06499	1.0
121.10153	9.9
122.03609	4.5
128.06192	0.9
131.04912	2.0
131.08507	0.8
133.06502	6.6
135.85745	0.7
137.05988	58.9
139.03867	0.7
139.05412	1.1
146.03629	7.3
149.05980	1.8
149.09604	2.1
151.07469	1.1
158.99663	1.0
161.05992	76.8
167.04915	1.0
167.07083	0.7
167.10675	2.2
171.08072	1.2
175.07536	1.9
177.05490	0.8
178.07791	0.8
184.05180	2.0
189.06975	1.6
191.08603	2.4
192.09317	1.6
199.07553	14.0
202.07785	15.4
203.08577	27.1
204.09235	1.7
205.06487	2.8
212.96645	0.8
213.07002	0.9
215.08614	1.3
217.06491	0.8
218.07246	0.8
219.08069	8.4
220.08853	9.1
221.09650	0.9
230.07330	3.4
231.08058	43.8
232.08838	5.8
233.05974	0.9
234.06786	1.0
235.07454	0.8
235.11191	2.8
237.09160	2.0
243.08101	0.7
245.09546	1.6
246.06810	0.8
247.07536	6.4
248.08354	22.8
249.09059	2.7
258.06793	2.8
259.07556	34.4
260.05710	1.0
260.08344	14.8
261.08994	2.4
262.09875	1.7
263.10693	24.6
264.07928	0.8
264.11337	0.8
265.08551	3.6
273.09042	1.7
275.07013	4.3
275.09888	0.6
276.07846	16.0
277.08630	5.7
280.10831	0.8
290.09296	1.5
291.10168	66.0
292.10907	6.2
293.08139	6.0
295.13275	3.6
307.09610	1.0
308.10345	7.4
323.12735	100.0
324.12827	1.1
345.04407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.36423	0.4
56.05034	0.5
57.03447	0.7
65.03928	0.6
67.05507	0.7
69.03430	1.1
69.07074	1.2
69.66161	1.0
69.66568	1.7
70.06586	3.6
71.04976	0.8
72.08142	1.5
79.05495	0.9
81.03419	0.7
81.07031	0.8
84.04491	0.7
84.08154	2.6
84.22630	0.5
85.02885	2.3
85.06536	1.4
86.09705	5.0
88.04002	0.6
91.05486	1.0
93.07053	0.6
95.01303	1.1
95.04941	0.7
96.04469	0.9
97.02905	0.6
97.05211	0.5
97.06584	0.7
98.06043	1.2
98.97591	1.7
105.07047	0.9
107.08596	1.0
110.97646	0.6
112.08743	0.5
116.07117	0.6
116.98657	0.6
119.08582	0.8
120.08110	1.6
122.06099	0.6
123.04457	0.6
124.03962	1.4
127.07581	1.2
129.07030	0.9
129.10240	1.0
131.04906	0.5
131.08595	0.7
132.08051	0.8
133.07617	0.6
134.06033	0.7
136.41672	0.5
137.06001	1.1
138.05533	0.9
144.08121	2.2
146.08458	0.6
146.09631	1.7
147.05534	1.5
147.09180	1.3
148.03915	0.9
148.06458	0.9
148.07596	3.4
149.03470	0.6
149.09613	0.5
151.07542	0.6
153.78351	0.5
156.06612	0.7
156.07961	0.7
157.06500	0.5
158.06006	1.3
158.99655	0.6
160.07588	1.4
161.05931	0.5
161.07176	1.6
161.10773	1.5
162.05525	0.7
162.07906	1.1
162.09123	0.7
163.03973	0.8
163.08694	1.7
166.04976	0.7
167.07053	0.7
168.06549	1.0
171.09198	0.9
172.07538	4.0
174.07814	0.9
174.09132	6.2
175.07178	0.6
175.08675	12.4
176.07063	5.4
176.09366	3.5
178.08604	0.6
186.05537	0.6
187.10033	0.5
188.05806	1.0
189.06651	1.3
189.10223	7.7
190.08656	8.3
191.08278	1.1
193.08623	0.6
194.08125	0.8
199.08746	1.4
200.07080	3.4
201.10220	0.8
202.08832	2.8
203.08163	20.1
204.06609	1.2
205.09756	1.0
207.11330	2.1
217.06244	1.3
217.09735	20.8
218.08168	2.3
219.11353	0.6
221.05952	0.6
227.08221	1.4
228.06567	0.9
229.09770	1.3
230.11797	2.7
231.07779	1.1
235.10745	6.8
245.09225	15.7
246.07503	2.3
247.10904	2.3
263.10269	61.9
264.10553	0.7
273.08691	5.0
291.09766	18.3
305.11047	0.6
305.14761	0.7
323.12396	100.0
323.15747	3.5
324.12775	0.7
338.29999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
58.59702	0.5
60.36557	0.5
69.03416	1.1
69.07053	0.6
70.06599	0.6
71.04981	0.7
71.10088	0.7
72.08112	1.0
81.07049	0.7
84.08128	0.5
85.02891	1.4
91.05499	0.6
91.63734	0.5
93.07055	0.5
97.02877	1.5
98.25790	0.5
98.97584	1.5
112.72329	0.5
112.99132	0.7
119.01920	0.7
121.06544	2.5
123.05537	0.6
139.12753	0.6
143.10757	0.6
149.09592	0.5
155.11255	0.6
158.99678	0.7
161.02159	1.0
185.04231	2.1
217.09717	0.8
221.06689	1.2
233.06561	1.6
263.10254	1.0
274.43137	0.7
291.09775	0.7
291.20050	0.7
323.11008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1651
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
55.01857	0.9
55.05514	0.7
56.05034	1.0
56.96559	0.8
57.03428	2.1
58.06587	0.7
61.49345	0.5
62.03094	0.6
65.51961	0.5
67.05495	2.2
69.03419	2.3
69.07076	1.0
69.27174	0.6
69.64156	3.0
70.06593	6.9
71.01352	0.7
71.04970	0.7
72.08138	2.0
72.25307	0.6
73.02885	0.9
79.05474	4.4
81.03407	0.6
81.07040	2.4
84.04518	5.1
84.08166	3.2
85.02905	26.5
86.09695	4.2
87.04417	0.8
91.05470	1.8
93.07042	2.0
95.04965	1.2
95.08596	1.3
96.08154	1.2
97.02878	0.8
97.06531	1.1
98.24971	0.6
98.97581	1.5
102.05537	2.2
105.07018	1.9
106.06520	0.7
107.04985	0.7
107.08593	3.6
109.06549	0.7
109.10155	2.7
109.68694	0.6
110.07154	0.8
113.02345	1.5
116.07052	1.5
117.07011	1.4
118.06513	0.7
119.08569	4.7
120.08119	5.0
120.86378	0.6
121.06479	0.7
121.08912	2.8
124.07607	1.0
125.09614	2.6
129.06984	2.0
129.10243	1.3
130.06534	2.1
131.03389	1.7
131.08565	0.9
134.09668	3.4
135.10393	0.7
136.07576	0.9
137.05989	0.9
137.09645	1.4
140.07050	0.6
142.06580	1.4
142.08655	0.7
145.04883	0.7
145.06432	0.7
145.08862	8.7
146.09698	2.8
146.99684	0.6
147.04381	0.9
147.11681	1.8
148.07463	0.7
148.11140	0.7
155.10667	1.4
157.10194	1.3
159.10428	1.5
160.07573	4.5
161.06003	0.6
162.09108	1.9
174.12781	11.7
175.11157	2.2
176.10597	1.2
177.05447	1.2
190.12231	0.9
191.12935	1.5
192.12077	1.4
192.13835	27.9
230.15414	1.6
236.55978	0.8
255.08611	0.7
267.17123	0.6
269.10226	1.3
276.16031	1.0
304.12238	0.6
304.15521	0.8
315.07443	1.1
322.16473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01867	0.9
55.05507	0.9
56.05030	0.8
56.96569	1.4
57.03432	1.1
57.39421	0.3
59.05005	0.5
60.04535	0.4
60.05642	1.4
60.84391	0.3
61.02927	1.9
68.05020	1.3
69.03442	4.0
69.07067	0.5
69.27299	2.6
70.06599	9.2
71.04982	1.2
72.08179	0.4
73.02909	0.9
74.06075	0.6
79.05509	1.7
80.05026	6.8
81.03429	2.6
81.06596	0.4
81.07060	6.3
82.06578	0.6
83.04980	1.5
83.53273	0.3
84.04510	17.1
84.08138	1.0
85.02913	10.2
85.91829	0.3
86.09692	0.7
88.07629	0.7
91.03983	0.4
91.05482	0.6
92.89027	0.3
95.04966	0.7
96.08147	2.3
97.02896	3.3
97.06523	1.4
98.06055	1.9
98.97608	1.7
99.04453	0.8
100.07595	0.6
101.00893	0.7
101.02371	0.5
102.05537	0.3
104.05338	0.5
107.04898	0.5
109.02886	0.9
110.07143	0.4
112.07596	0.3
112.08723	1.0
112.99125	1.6
114.09139	0.6
115.08704	0.4
116.07103	0.7
116.98622	0.7
119.01907	1.2
120.02036	0.3
120.08127	1.7
124.07602	16.6
125.05988	1.3
126.05521	0.4
127.03926	2.1
127.08701	0.5
128.98613	0.3
130.08664	0.3
130.09770	0.4
131.00212	2.3
131.01913	0.4
132.02022	0.4
133.03510	0.5
134.03526	0.3
136.06169	1.6
140.00215	0.5
142.03246	0.4
142.08652	3.8
143.01904	0.6
145.04936	1.2
147.08681	0.4
149.01248	0.9
155.04674	0.5
157.09724	0.6
160.09703	100.0
161.02922	0.8
162.03011	0.4
167.02220	0.4
169.03436	0.4
173.03024	0.5
174.03217	0.3
175.02930	0.3
175.11922	1.4
177.00726	0.4
183.05074	0.5
184.09763	0.5
185.03004	0.6
186.00873	0.4
189.04861	0.3
190.02725	0.6
193.03848	0.7
197.02937	0.4
198.98564	0.3
201.00807	0.3
204.01860	0.6
205.10078	0.5
219.01855	0.5
220.03683	0.7
221.05124	0.5
232.03789	0.5
232.06879	0.5
233.09628	0.4
235.04906	0.7
242.07454	0.4
244.55507	0.5
245.05104	0.8
246.13387	1.0
253.05766	0.5
275.06195	0.6
276.10098	0.4
305.16095	0.8
322.10825	1.6
322.14990	2.4
322.18802	6.7
323.06503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01863	0.4
55.05507	0.7
56.05017	1.2
56.96569	2.4
57.03428	1.3
57.07073	0.3
59.04991	0.8
60.05643	0.6
61.02916	1.8
67.05503	0.6
68.05019	1.2
69.03439	4.1
69.07059	0.9
69.32684	0.3
70.06210	0.4
70.06597	6.0
70.98134	0.4
71.04999	0.9
71.52036	0.3
71.52401	0.4
72.08144	0.8
73.02932	0.8
74.06084	0.5
75.18047	0.3
79.05514	1.6
80.04579	0.5
80.05022	6.7
81.03425	2.4
81.07059	6.6
82.06582	0.7
83.04983	1.4
84.04507	16.5
84.08140	1.2
85.02907	10.0
85.04900	0.3
86.09702	0.8
87.04459	0.8
87.97114	0.3
88.07633	0.3
91.03925	0.4
93.03407	0.3
93.06998	0.3
96.08136	2.2
97.02898	3.7
97.06538	1.6
98.06048	1.2
98.97591	3.7
99.04472	0.6
100.04012	0.4
101.00867	0.4
102.00986	0.4
102.05538	0.4
104.05324	0.4
107.04961	0.8
109.02873	1.0
110.06060	0.4
110.07159	0.4
110.97565	0.6
111.04424	0.4
112.07579	0.4
112.08750	0.8
112.99135	3.9
113.00838	0.3
113.05994	0.3
114.09166	0.6
115.02449	0.4
115.03897	0.4
115.08716	0.4
116.02566	0.4
116.07113	0.8
116.98612	1.2
119.01929	1.4
120.02020	0.8
120.08106	1.4
122.07115	0.3
124.07598	15.0
125.05987	1.2
126.05531	0.4
127.03921	2.5
128.07071	0.5
128.98579	0.6
129.10184	0.4
131.00195	3.6
131.01857	0.8
132.01991	0.6
133.03448	1.2
134.03589	0.8
134.99713	0.5
136.06157	0.7
139.03923	0.3
140.00203	0.9
142.08636	3.2
143.01921	0.6
143.07031	0.5
145.01700	0.3
145.03604	0.3
145.04977	1.9
146.03596	0.3
146.99670	0.6
147.08755	0.3
149.01257	1.6
155.01912	0.5
156.02049	0.4
157.09760	0.4
158.01242	0.4
158.03596	0.6
158.99655	1.0
159.05067	0.5
160.09697	100.0
161.02953	1.5
161.10062	0.4
162.03000	0.6
163.03900	1.0
169.03491	0.5
170.08035	0.3
173.02962	0.9
174.03119	0.8
174.04494	0.5
175.02887	0.4
175.04507	0.3
175.11897	0.9
176.04813	0.4
177.00797	0.5
177.02412	0.3
183.05095	0.4
184.09801	0.4
185.02919	0.6
186.00725	0.4
186.03023	0.4
193.03885	1.2
197.03160	0.4
201.02510	0.5
202.02570	1.7
203.04045	0.4
204.01779	0.7
205.10051	0.4
211.04822	0.6
219.01790	0.7
219.03525	0.8
219.07210	0.5
220.03651	2.8
220.07257	0.6
221.03081	0.4
222.02811	0.7
222.04962	0.4
223.01079	0.3
232.03654	0.7
233.09412	0.4
235.04956	1.1
237.02802	0.4
244.55441	0.4
245.05101	1.1
246.05290	0.4
247.04823	0.3
248.03268	0.5
256.97495	0.3
275.06137	1.1
276.09872	1.6
304.09332	1.3
305.15939	0.4
319.08731	0.5
322.07697	1.1
322.10809	2.0
322.14941	3.8
322.18814	3.7
323.06516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03790	1.1
50.17655	1.3
53.03941	2.8
55.01875	6.4
55.05517	4.8
56.96561	1.8
57.03428	6.1
61.02919	1.3
64.22703	1.2
65.03941	1.6
67.05502	6.0
69.03425	10.0
69.07063	5.9
69.15599	14.9
70.06586	3.2
71.01365	1.5
71.05001	1.8
79.05496	25.0
79.06020	1.4
79.06102	1.0
81.03439	1.8
81.07059	33.5
83.04988	3.1
84.08157	1.7
85.02924	7.6
86.09701	1.6
91.05500	10.2
93.07058	8.5
95.01331	10.7
95.04983	6.6
95.08607	3.4
97.02886	3.2
97.06524	17.1
98.97580	3.0
101.02393	1.7
105.07032	4.7
107.04953	4.8
107.08569	5.2
109.02818	2.1
109.06523	18.5
109.10172	2.0
111.00790	1.7
111.04459	3.7
111.08060	2.3
113.02411	2.5
116.51056	1.3
117.07037	5.2
119.04935	3.9
119.08578	9.6
121.06489	5.1
123.04440	2.0
123.08051	3.7
125.05999	4.4
129.06990	2.3
131.04913	1.8
131.08574	3.9
132.83051	1.4
135.08040	4.7
137.05971	5.0
138.67354	1.4
139.03914	10.1
139.07608	1.8
141.01791	2.9
141.05453	1.8
143.07140	1.4
145.06497	2.6
147.08026	8.9
149.05971	2.5
151.03886	1.9
151.07582	2.4
155.07036	5.3
161.06000	1.6
163.07616	8.3
165.05537	1.6
165.09119	18.8
167.07019	3.0
173.05946	1.4
175.07619	4.5
181.08609	5.9
183.10184	4.0
189.05522	2.3
191.07045	4.0
193.08638	20.9
197.04428	4.6
199.09660	13.0
209.08107	10.5
210.33870	1.5
211.09697	16.9
219.06421	2.8
224.03821	2.5
227.09123	8.1
237.07574	5.6
241.10773	1.5
252.07053	1.8
255.08650	100.0
269.10260	3.9
273.09674	7.1
287.11340	1.4
304.15280	1.8
315.93491	1.4
322.14676	2.2
322.20319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01868	3.9
55.05523	5.4
56.05021	1.1
56.96568	2.3
57.03448	7.7
66.91937	1.0
67.05509	5.0
69.03136	0.9
69.03441	9.3
69.07073	6.0
70.06596	3.3
71.01347	2.1
71.04985	1.9
71.54507	1.0
72.08166	1.3
79.05086	0.7
79.05497	20.8
81.03415	2.5
81.06590	2.0
81.07063	32.5
83.04968	4.4
84.08146	1.9
85.02911	8.9
86.09695	3.5
88.36063	0.9
91.05483	10.0
93.03395	1.6
93.07057	8.2
94.07344	1.0
95.01359	10.7
95.04990	7.8
95.08617	2.5
97.02891	2.2
97.06526	13.7
98.97575	3.8
99.08085	1.2
99.24491	1.1
101.02418	1.4
103.05466	1.3
105.07014	5.2
107.04975	3.8
107.08599	6.8
107.67382	0.9
108.08961	1.6
109.02878	1.5
109.06523	21.1
109.10165	3.1
111.00780	1.2
111.04458	2.3
111.08086	1.9
112.99129	1.2
113.02360	1.7
115.03883	1.0
115.05484	0.9
116.98603	1.0
117.07034	3.7
119.03482	0.9
119.04942	2.9
119.08582	7.7
120.08087	1.0
120.08958	1.1
121.06545	5.3
121.10120	1.6
121.34898	0.8
122.05975	1.2
123.04436	2.8
123.08100	2.6
125.02364	1.4
125.06010	3.3
127.03963	1.4
129.07016	2.5
131.00153	1.1
131.08585	2.3
133.06502	2.0
133.10156	1.2
135.08049	4.8
135.11678	2.8
136.12015	2.0
137.06001	5.8
137.09612	2.1
138.09106	1.0
139.03932	8.3
139.07558	2.1
141.01852	2.4
141.05440	2.1
145.06511	2.2
145.10065	1.9
147.08043	7.7
149.01169	1.0
149.05997	3.5
151.07501	2.1
155.07027	3.6
157.06567	1.2
158.99606	1.6
159.02962	1.4
161.05974	2.5
163.03880	0.9
163.07545	7.4
163.11198	1.2
165.09128	17.4
167.07045	3.0
173.01202	1.6
173.04379	1.3
175.07530	3.8
177.05510	1.1
181.08566	4.6
183.10139	2.0
188.30833	1.1
191.07068	3.9
193.06891	1.4
193.08620	21.2
197.04558	5.2
199.09662	13.5
209.08099	9.6
211.09645	11.6
219.01782	1.4
219.06474	1.2
224.03792	2.5
227.09149	10.5
237.07532	4.9
241.10721	1.8
251.57138	1.1
252.07027	2.0
255.08665	100.0
262.15167	2.5
269.10266	2.6
273.09680	6.5
285.10394	1.0
287.11218	1.7
322.11188	1.5
322.14508	2.5
323.12634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1288
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
52.83181	1.1
56.96546	3.2
57.03430	2.1
59.44071	1.3
60.05632	1.5
61.02942	2.4
69.03448	8.2
69.07057	1.2
69.61132	1.9
69.61542	6.2
70.06596	7.0
71.04975	1.5
72.08173	1.5
72.17178	1.2
73.02922	2.2
78.07427	1.3
79.05471	1.2
81.03412	3.6
81.07024	1.4
83.04978	1.7
84.04498	2.1
84.08131	1.6
85.02901	16.1
86.09693	3.5
87.04453	3.7
97.02908	6.2
97.06525	1.4
98.97567	4.7
109.02842	1.9
110.97585	1.2
112.99141	1.6
114.88663	1.4
115.05511	1.8
116.07082	2.6
116.98608	1.8
120.08094	4.4
127.03937	3.6
130.06503	4.5
132.08128	6.2
142.03246	3.2
142.06517	26.4
143.07225	7.3
144.08105	10.7
152.05627	1.4
158.06009	3.1
159.06775	2.1
160.04233	4.4
160.07590	70.1
160.09697	3.1
161.01140	1.5
175.11877	1.9
322.12866	100.0
322.18903	4.2
323.10687	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	322.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	0.7
58.31645	0.3
70.51723	0.6
70.52064	0.6
86.71774	0.4
87.45867	0.3
98.97526	1.1
99.53554	0.4
101.00835	1.0
109.94715	0.4
119.01897	0.7
158.99812	0.6
160.93330	0.5
167.68625	0.4
170.02956	0.7
177.00949	1.5
178.94418	1.4
182.99866	0.4
190.02496	0.5
196.95496	3.3
197.95541	0.7
198.02428	0.7
201.00957	1.7
202.94513	1.3
207.98692	0.4
214.94386	0.5
214.96542	15.7
215.96661	1.8
219.02032	18.6
220.95430	2.9
222.05051	0.5
238.96542	11.1
239.96622	1.1
242.03593	1.1
256.97601	89.8
257.97720	10.1
258.97745	1.0
262.96463	1.8
263.06155	0.5
274.94781	1.2
274.98410	0.4
275.94330	4.6
276.94067	0.5
279.94595	0.5
279.99255	1.5
280.97473	8.6
286.04187	1.7
286.96982	0.4
298.98642	100.0
299.98865	1.8
301.01782	0.7
302.01855	0.4
303.99078	0.6
321.95956	0.6
322.00104	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71016	0.1
56.64091	0.1
56.96558	0.3
61.02913	0.1
64.75437	0.1
66.32613	0.1
67.50430	0.1
67.57999	0.1
71.51715	0.1
72.94283	0.1
82.99870	0.2
92.73978	0.1
98.97587	1.5
101.00878	0.5
116.98620	1.0
119.01926	1.3
122.97026	0.1
122.97861	0.3
123.75777	0.1
123.98605	0.1
134.99678	0.5
137.02919	0.3
140.98782	0.5
141.99640	0.1
142.03465	0.1
158.99887	1.1
177.00957	10.8
178.01120	0.3
179.01353	0.1
180.17458	0.1
181.04988	0.1
182.99834	1.9
192.06192	0.1
201.00934	8.0
202.01073	0.2
202.93584	0.3
214.95609	0.2
216.98878	0.1
218.03783	0.1
219.02010	100.0
220.02126	2.1
220.94452	0.2
221.02477	0.7
224.02574	0.4
233.03584	0.2
234.99863	0.1
236.99550	0.4
237.03011	0.2
238.95555	1.8
239.40800	0.1
242.03607	5.9
243.03967	0.1
254.93422	0.1
256.96637	8.0
257.96692	0.4
258.96725	0.1
258.99802	0.4
260.00162	0.2
261.03036	0.5
261.97110	0.2
262.03015	0.1
262.95441	0.5
265.05328	0.2
272.94510	0.2
274.94186	0.4
274.97681	1.6
276.04764	0.4
276.95456	0.1
277.00757	0.3
278.01505	0.1
279.98203	1.3
280.96542	2.1
283.00174	0.1
289.49600	0.1
292.95190	0.2
296.94669	0.2
297.93442	0.1
297.99524	0.1
298.18701	0.2
298.97681	39.0
299.18802	0.3
299.97760	0.8
300.98083	0.2
303.98138	0.5
307.93149	0.2
308.43219	0.1
309.96091	0.3
310.46237	0.4
310.92963	0.1
310.96112	0.2
315.95810	0.1
316.93689	0.3
316.98700	0.2
317.19806	0.1
317.43469	0.2
319.43759	0.5
319.93903	0.2
321.99304	5.7
322.99713	0.1
328.44168	0.5
328.94394	0.2
330.94653	0.1
339.95575	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	321.2425
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
50.91043	0.4
53.03933	1.3
55.01881	0.9
55.05270	0.6
55.05512	8.0
56.96552	1.2
57.03445	1.9
57.07066	0.5
59.05000	3.2
61.37556	0.4
65.03934	0.8
67.05506	10.8
69.03430	1.0
69.06740	0.6
69.07076	6.6
70.08460	1.7
71.04991	3.4
73.06541	1.2
75.74864	0.4
77.03926	0.5
79.05495	11.2
81.03373	0.6
81.06595	0.8
81.07061	14.5
83.04964	1.8
83.08611	3.0
83.88459	0.4
85.02905	0.7
85.06544	1.8
87.08136	0.6
91.05486	18.3
93.06484	0.7
93.07050	11.3
95.04948	2.1
95.08615	7.7
97.02861	0.4
97.06527	3.6
97.10165	1.8
98.20895	0.6
98.21422	0.5
98.97627	0.5
99.08095	1.4
103.05450	0.9
105.07035	18.2
107.04963	1.7
107.08604	6.5
108.05718	0.6
109.05804	0.7
109.06524	9.8
109.10160	4.6
110.07272	0.6
110.97561	0.5
111.08099	3.2
113.09621	0.6
117.07020	5.0
119.08581	16.0
121.06508	2.4
121.10159	3.8
122.07284	0.6
123.07221	0.5
123.08073	8.1
123.08954	0.5
123.11739	0.7
125.09634	1.1
129.07013	1.5
131.08562	5.7
133.06485	0.5
133.10132	10.1
135.08057	4.0
135.11678	1.4
136.08810	0.4
137.09622	4.4
139.07558	0.6
139.11206	0.9
141.06976	0.5
143.08566	1.5
145.10123	5.1
147.08046	1.3
147.11708	6.6
149.09610	4.2
149.13264	1.0
151.07542	0.6
151.11180	13.9
155.08559	0.5
157.10114	1.6
159.08005	1.1
159.11678	3.2
161.09624	1.2
161.13214	2.2
163.07513	0.6
163.11186	2.6
165.12770	3.5
169.10059	1.0
171.11690	1.6
173.09581	0.9
173.13249	3.1
175.11179	0.5
175.14838	0.5
177.12756	1.1
179.14291	1.1
183.10002	0.3
183.11691	0.9
185.13261	0.7
187.11214	0.5
187.14833	0.8
189.12683	0.7
195.13768	0.5
197.64290	0.4
201.12646	0.8
211.14876	0.6
215.14395	0.5
219.97195	0.4
229.07446	2.4
229.19662	0.4
233.15407	0.8
239.17911	1.3
243.17612	0.5
247.08517	1.4
257.18991	2.3
261.18448	1.2
261.33298	0.4
263.20004	1.1
269.10645	1.0
269.17465	0.4
271.16998	0.8
279.19626	0.8
289.17969	3.4
289.21597	10.5
303.19467	1.0
321.24228	100.0
322.24487	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03933	1.9
53.39224	0.5
55.01860	1.9
55.05267	0.7
55.05510	8.9
55.25650	0.5
56.96568	1.1
57.03432	2.8
57.07062	0.8
57.30950	0.5
59.05001	3.0
65.03942	0.6
67.05507	11.8
69.03429	1.5
69.07071	7.1
71.04998	5.3
71.53384	0.5
71.53838	1.0
73.06544	1.4
79.05079	0.9
79.05500	13.1
81.03391	1.3
81.06598	1.0
81.07060	13.8
81.10126	0.5
83.04974	1.2
83.08627	3.5
85.06541	3.2
86.57570	0.6
91.05486	17.0
93.06497	0.7
93.07050	13.3
95.04979	3.8
95.08614	9.2
97.06535	4.4
97.10151	2.6
99.04482	0.5
99.08075	1.4
103.05453	0.7
105.04512	0.8
105.07039	20.3
107.04948	1.7
107.08601	9.1
109.06529	11.6
109.10146	4.9
111.08080	3.5
113.05978	1.0
117.07015	5.5
119.08592	16.7
121.06516	4.3
121.10149	5.1
122.07285	0.9
123.08080	8.9
123.11655	0.9
125.09635	2.8
129.07002	2.2
131.08542	6.6
133.06473	1.0
133.10136	10.6
135.08080	4.8
135.11679	2.7
136.08821	0.9
137.05920	0.6
137.09618	5.1
139.11227	0.6
141.07034	0.6
143.08577	2.0
145.06496	0.7
145.10135	5.1
146.29787	0.7
147.08029	1.4
147.11691	7.3
149.05998	0.6
149.09602	4.7
149.13326	0.9
151.07544	1.3
151.11182	14.1
155.08588	1.0
157.10150	2.6
159.08025	1.8
159.11736	4.4
161.09644	1.3
161.13263	1.9
163.07561	0.9
163.11189	3.0
165.12802	3.9
169.10109	1.0
171.11696	2.5
173.09668	1.0
173.13211	3.7
175.07562	0.5
175.11162	1.5
175.14897	1.1
177.09149	0.9
177.12766	0.8
179.14337	1.5
183.11629	1.3
185.13286	0.6
187.14853	0.8
189.12697	1.0
191.10652	0.6
191.14424	0.5
197.13219	1.5
203.12686	0.7
215.14291	1.3
228.89676	0.6
229.07527	1.8
233.15326	2.4
239.06546	0.6
239.17958	1.1
242.87793	0.6
247.08528	1.2
247.17056	0.9
253.15887	0.8
257.19000	2.0
261.18594	1.3
263.20007	1.9
269.10715	1.2
271.16965	1.7
279.19659	0.8
289.17966	8.5
289.21591	15.8
303.19449	1.0
321.20807	5.9
321.24228	100.0
322.24585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.1
53.03952	13.7
55.01878	11.3
55.05271	2.7
55.05511	38.9
56.39285	1.8
56.96557	2.8
57.03443	17.2
57.13665	1.9
59.05018	1.9
65.03941	2.6
67.05510	47.0
69.03422	7.3
69.07077	10.6
71.05000	2.9
71.40141	2.1
71.84472	1.7
73.06554	2.3
79.05068	3.4
79.05498	45.0
81.03435	10.6
81.07057	50.1
83.04993	35.6
83.08609	14.8
85.02899	2.8
85.06538	5.0
91.04916	2.1
91.05487	70.7
93.07047	100.0
95.04971	25.4
95.08601	24.3
97.02930	2.7
97.06524	9.5
97.10159	16.9
98.97577	2.2
99.04459	2.4
99.08091	3.9
103.05478	15.1
105.04502	5.4
105.07036	36.2
107.04948	31.6
107.08597	26.7
109.02927	2.5
109.06541	15.1
109.10152	15.9
111.08083	5.9
113.09664	1.8
115.05434	2.9
116.98561	1.9
117.07020	17.7
119.04985	2.7
119.08589	28.3
121.02897	4.8
121.06513	92.3
121.10175	13.1
123.04443	2.3
123.08073	14.1
123.11696	2.6
125.05967	3.4
125.09636	19.6
129.06998	7.4
131.04922	5.4
131.08582	25.9
133.06487	19.2
133.10138	18.9
135.04420	5.3
135.08067	24.2
135.11679	2.9
137.06006	3.2
137.09628	13.1
139.07625	2.6
141.07007	3.5
143.08594	9.3
145.06516	6.7
145.10156	11.2
147.08052	12.3
147.11696	5.6
149.05992	4.3
149.09634	15.2
151.07561	6.6
151.11179	7.4
153.09123	4.0
155.08528	3.6
155.66545	1.8
157.10141	5.1
159.08093	17.1
159.11702	4.9
161.05930	2.6
161.09637	10.3
161.13353	1.9
163.07561	22.8
163.11192	5.7
165.09135	4.2
169.10118	6.7
171.07982	2.3
171.11710	6.6
173.09633	13.0
173.11821	3.1
173.13290	2.5
174.27859	1.7
175.11209	4.9
177.09148	11.1
177.12784	1.9
179.10593	2.2
181.10251	2.0
183.11742	4.3
185.09679	2.2
187.11165	6.2
187.14784	3.1
189.12762	5.5
191.10634	6.5
193.12309	4.4
199.11176	4.8
203.12830	5.7
207.13942	2.1
211.11253	2.0
215.14371	2.6
215.17786	2.5
217.12352	3.2
225.16423	3.4
229.07497	5.1
233.15382	6.4
243.17461	8.4
247.16963	1.9
249.14893	3.4
253.15868	6.9
261.18497	17.5
271.16934	26.1
289.17987	84.7
303.16266	3.4
303.19449	13.7
321.16925	4.2
321.20645	52.8
321.24164	4.7
338.85876	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01864	3.4
55.05513	21.8
57.03427	4.5
62.32290	1.3
65.03937	2.0
65.85168	1.2
67.05512	15.6
69.03429	3.3
69.07072	6.2
69.33372	11.3
71.04999	1.7
79.05159	1.2
79.05500	13.1
81.07067	14.6
81.38994	1.3
83.04972	5.1
83.08630	14.2
91.05489	19.4
93.07042	18.2
95.04956	3.6
95.08621	6.5
97.06532	2.6
97.09562	1.5
97.10172	22.7
98.20705	2.1
98.98515	1.2
103.05518	1.3
105.07044	6.0
107.04901	2.7
107.08595	14.6
109.06499	3.9
109.10136	5.6
111.08092	4.5
115.05437	1.6
117.07027	11.0
119.04926	1.9
119.08590	100.0
121.06463	3.7
121.10118	3.9
123.08116	3.3
125.09650	25.6
129.06992	3.3
131.08566	5.4
133.06477	4.8
133.10143	3.8
135.08064	15.9
135.11729	1.7
137.05994	1.6
137.09602	1.7
139.07544	5.0
141.06989	1.7
141.29614	1.2
143.08603	3.0
144.05702	1.5
145.06427	2.6
145.10132	5.0
147.08069	8.5
149.05954	1.7
149.09612	3.7
151.07539	2.7
151.11160	1.7
153.09111	4.2
155.08543	2.6
157.10124	5.3
157.12238	1.5
159.08067	55.2
159.11707	1.9
161.09622	4.5
161.13243	1.6
163.07526	3.0
169.10136	3.3
171.11659	1.5
173.09656	8.6
175.07555	2.2
175.11136	2.2
177.09145	1.9
185.09566	1.4
189.12827	1.5
197.13263	1.6
203.12762	15.3
215.17993	1.9
225.16344	2.1
233.15361	2.0
235.14738	1.5
243.17410	3.6
253.15845	7.7
261.18509	3.8
271.16916	22.4
289.17984	21.2
303.19598	10.1
321.11804	1.3
321.20667	11.8
321.24057	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.9
53.03931	3.2
55.01874	8.1
55.05514	32.3
55.53621	0.9
57.03156	1.3
57.03440	21.6
57.07071	1.0
59.05014	1.6
65.03925	2.2
67.05508	30.2
67.08517	1.0
67.75636	1.0
69.03423	4.2
69.07075	9.3
69.54063	6.1
71.04979	2.9
73.06549	3.9
75.19968	0.9
78.22264	0.9
79.05070	1.7
79.05498	29.0
81.03422	5.5
81.07063	25.0
81.80773	1.0
83.04498	1.8
83.04984	32.2
83.08617	12.3
85.06526	3.3
91.05479	29.4
93.07048	37.1
93.07639	2.0
95.04993	10.8
95.08608	15.0
97.06547	6.6
97.10174	20.2
98.21519	1.9
99.04467	3.7
103.05455	2.3
105.03381	1.5
105.06324	1.0
105.07039	23.7
107.04964	13.8
107.08595	24.3
109.06503	9.2
109.10175	7.9
111.04459	2.8
111.08113	5.8
115.05464	2.8
115.07591	1.0
117.07010	15.1
119.04966	1.5
119.08586	20.4
120.06827	1.0
121.06502	10.9
121.10141	9.4
123.04405	2.0
123.08076	4.7
125.06008	5.5
125.09628	22.3
128.06227	2.1
129.07021	5.5
131.04936	2.3
131.08572	18.8
133.06511	13.5
133.10129	11.0
135.08058	21.1
135.11655	2.8
137.05937	3.2
137.09605	6.9
139.07523	3.0
141.06938	4.2
142.07758	1.4
143.08569	4.2
145.06531	6.5
145.10100	5.8
146.07278	1.5
147.08044	7.1
147.11685	4.2
149.05925	2.4
149.09625	15.4
151.07547	5.5
151.11157	3.9
153.09131	5.9
155.08531	3.1
157.10101	4.3
157.12207	1.9
159.06856	1.9
159.08069	23.5
159.11713	5.5
160.08736	1.9
161.09613	7.9
163.07533	7.2
163.11172	4.8
165.09105	2.1
167.10687	1.3
169.10150	3.9
171.10342	1.5
171.11594	4.9
173.09639	7.8
173.13243	2.2
175.07504	1.5
175.11171	3.6
177.09102	14.0
177.12753	1.2
179.10666	1.6
183.11702	2.9
185.09595	2.3
187.11195	3.0
187.14836	2.9
189.09099	1.0
189.12712	2.3
191.10686	3.4
193.12169	2.8
197.13243	3.0
199.11224	2.3
201.12814	1.2
203.12781	9.9
205.15990	1.8
207.13864	1.1
215.14311	5.9
217.12254	2.5
219.13921	1.8
225.12766	1.6
225.16411	2.8
233.15356	11.1
243.17438	4.2
247.16803	1.3
253.15839	6.4
261.18512	9.4
263.16302	1.5
271.16919	22.2
289.17981	100.0
303.19620	8.2
319.44516	1.0
321.20557	34.4
321.24265	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	321.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.7
53.45788	1.1
55.01878	9.0
55.05516	40.1
57.03445	29.5
59.04992	2.1
65.03924	2.1
67.05509	33.6
69.03445	6.4
69.07074	11.4
70.53601	2.3
71.04972	2.7
73.06558	4.5
79.05502	38.9
81.03436	9.9
81.07061	27.5
83.04991	23.1
83.08630	18.2
85.06541	3.7
91.05490	35.5
93.03307	1.0
93.07054	44.7
93.07642	2.7
93.76437	1.1
95.04964	10.5
95.08611	18.3
97.06535	6.7
97.10178	31.1
97.97948	0.9
98.20782	1.1
99.04438	1.8
99.08081	1.4
103.05470	2.4
105.07043	22.4
107.04967	18.5
107.08611	29.2
109.06530	9.2
109.10171	8.2
111.04462	1.4
111.08118	10.6
115.05403	1.2
117.07024	17.4
119.04949	2.3
119.07802	2.0
119.08591	22.6
119.63413	1.1
121.06519	9.6
121.10155	10.0
123.04419	1.7
123.08074	4.7
123.11728	1.1
125.06010	2.9
125.09646	29.6
128.06227	2.0
129.07014	5.4
131.04918	3.6
131.08582	21.9
133.06519	16.4
133.10121	9.7
135.08064	25.4
135.11700	1.7
135.68855	1.2
137.06021	2.9
137.09627	8.1
139.07541	3.3
141.06995	2.8
142.07803	1.7
143.08559	4.9
145.06503	6.2
145.10138	8.0
147.08075	7.7
147.11697	3.4
149.09621	22.2
151.07564	4.0
151.11224	3.2
153.09161	9.1
155.08565	4.2
156.09294	1.2
157.10130	3.5
157.12286	2.0
159.08078	32.2
159.11705	3.6
160.08765	2.1
161.09625	7.3
163.07553	6.7
163.11182	4.1
165.09113	2.2
167.08563	1.1
169.10191	4.0
171.10211	2.5
171.11722	3.3
171.76874	1.0
173.09662	8.9
173.13170	2.2
175.11208	3.7
177.09135	18.4
177.12679	2.6
183.11714	1.9
185.09633	3.2
187.11194	3.9
187.14833	2.6
189.12756	2.6
191.10741	3.5
193.12236	1.5
197.09665	1.3
197.13322	3.2
203.12790	17.0
203.79607	1.1
205.15927	1.5
209.42163	1.2
211.11185	1.8
215.14323	8.5
217.12292	2.1
219.17674	1.2
225.16336	3.1
233.15355	13.1
243.17468	7.0
253.15857	8.2
261.18524	7.4
271.16943	28.3
289.18008	100.0
303.19586	8.5
321.20645	39.3
321.24310	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	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.01864	3.6
55.05512	14.1
57.03437	41.4
57.07073	3.2
59.04995	3.1
62.53435	2.2
65.03932	2.8
67.05506	23.0
69.07076	9.1
69.53242	18.4
71.04983	2.2
79.05496	24.8
81.03419	5.3
81.07056	33.3
83.04961	12.7
83.08627	7.2
85.06554	4.5
86.67667	2.3
91.05479	27.3
93.07038	18.2
95.04964	6.8
95.08598	15.5
97.06528	3.4
97.10191	2.7
105.07034	30.2
107.04960	5.3
107.08610	12.3
109.06506	14.1
109.10125	6.7
111.04438	9.8
115.05457	2.8
117.07005	12.2
119.08584	17.1
121.06548	4.8
121.10148	10.6
123.08074	10.0
125.05994	4.0
129.05484	3.1
129.06940	3.9
131.08563	18.2
133.06497	9.7
133.10117	12.4
135.08070	8.8
135.11729	4.1
137.09628	6.0
139.07529	4.4
143.08562	3.4
145.06514	10.5
145.10132	7.0
147.08047	7.1
147.11668	7.7
149.09625	5.7
151.07538	18.7
151.11194	5.1
157.10144	4.3
159.08104	7.4
159.11722	6.2
161.09680	3.8
163.07559	9.7
163.11159	3.9
165.09134	5.5
165.12782	3.5
169.10120	3.5
171.11694	7.8
173.09645	5.7
173.13217	4.5
177.09132	6.9
179.07097	2.7
187.11150	3.1
187.14885	6.2
188.84503	2.4
189.12794	2.3
197.13170	4.6
205.15869	7.0
215.14345	8.8
218.17339	2.9
233.15358	37.1
243.17474	10.6
253.15854	3.9
255.63275	2.5
261.18420	13.6
271.16895	31.9
289.17993	100.0
289.21332	4.4
321.20563	33.7
321.24313	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	321.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01867	5.6
55.05518	14.9
57.03430	5.1
57.07075	2.2
67.05510	11.9
69.07056	5.7
70.58944	1.5
70.59302	4.0
79.05502	10.7
81.03426	2.7
81.07068	16.5
83.04997	32.8
83.08617	2.5
88.17424	1.2
90.84087	1.4
91.05493	17.8
93.07054	25.5
95.04963	3.8
95.08622	8.7
97.06551	2.7
98.20776	1.5
99.04450	3.6
103.05473	1.6
105.07048	9.1
107.04952	5.7
107.08591	5.5
109.06525	5.7
109.10161	3.5
109.66158	1.4
111.04427	3.5
111.08123	1.3
117.07008	5.7
118.57917	1.3
119.08604	10.8
121.06519	18.7
121.10135	5.0
123.04466	2.0
123.08051	6.2
125.05988	5.1
129.06963	2.5
131.08565	7.7
133.06450	3.0
133.10143	6.4
135.08049	5.8
135.11755	2.5
135.18275	1.3
137.05945	2.6
137.09644	1.9
139.10376	1.5
143.08528	4.0
145.06502	3.6
145.10109	5.9
147.08070	11.8
147.11604	1.4
148.05099	1.6
149.05997	39.9
149.09618	3.8
151.07530	4.3
151.11279	1.7
157.10136	2.5
159.08073	4.9
159.11688	3.2
161.09616	5.0
163.07527	2.3
163.11208	4.9
171.11705	1.9
173.09601	3.0
177.09125	6.0
177.12720	2.8
187.11209	1.5
189.12773	1.4
196.12526	1.5
211.14856	2.3
222.00467	1.6
225.12547	1.3
225.16310	2.3
233.15361	3.7
239.42665	1.3
243.17419	9.8
247.40219	1.3
253.15813	3.3
261.18555	6.4
271.16959	21.5
289.17996	100.0
321.20508	10.6
321.23944	2.0
321.32465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.5
70.26698	0.5
86.17085	0.5
91.05495	1.5
98.21495	0.9
98.97614	0.6
115.05472	2.6
117.05777	0.7
117.07022	3.4
118.06550	49.4
119.07349	3.4
132.08023	0.7
134.09657	100.0
142.06514	4.7
143.07303	4.9
144.04482	0.8
144.08090	22.2
146.06017	97.6
160.07562	1.3
170.06027	8.2
174.09149	0.9
176.07115	0.5
188.07074	94.8
189.07368	0.5
192.10197	2.0
321.12137	0.9
321.15982	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	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.4
60.04534	0.8
64.03606	0.5
67.05521	0.5
69.07074	1.1
70.04701	1.4
71.05000	0.8
78.76762	0.5
79.05521	1.2
81.07064	1.7
86.09708	98.1
91.05478	1.3
93.07043	2.3
95.08617	1.3
103.05450	3.8
105.07057	1.5
107.04945	1.3
107.08608	1.4
109.06522	0.8
109.10172	1.3
112.87250	0.5
119.08590	1.2
119.11388	0.5
120.08109	100.0
121.10128	1.3
123.08109	0.8
128.10719	52.7
129.26868	0.5
131.04939	2.6
133.10112	0.9
135.11748	0.5
149.05981	2.3
149.13206	1.2
156.10210	16.6
159.01665	0.5
165.12814	0.7
166.08646	65.9
167.09013	0.7
170.58780	0.5
199.14713	0.6
206.57690	0.5
243.74982	0.5
275.16324	0.7
303.15918	0.9
321.17010	0.8
321.24286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.6
67.05486	0.5
69.03418	0.5
69.07040	0.6
70.24557	2.0
71.04996	0.5
79.05471	0.6
80.05010	0.5
84.96004	0.5
87.29147	0.5
91.05492	1.9
93.07049	0.5
95.04967	0.6
95.08543	0.7
95.55357	0.4
97.02906	0.7
98.97591	1.1
103.05468	0.6
105.07050	0.6
107.08575	0.5
115.05477	1.7
117.07012	3.6
118.06544	43.8
119.07336	3.0
119.93012	0.5
130.06554	0.7
132.08084	0.7
134.09657	100.0
135.10020	0.7
142.06543	4.4
143.07314	4.4
144.08087	21.8
146.06013	92.1
155.06081	0.8
160.07602	1.1
163.44902	0.5
170.06026	8.9
173.13359	0.6
174.09146	1.0
188.07076	97.3
192.10254	1.7
289.08313	0.5
321.11523	1.5
321.15955	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	321.1449
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
50.68624	2.9
55.05495	3.2
56.96557	11.7
57.03434	6.0
57.65725	3.0
65.03954	3.3
67.05500	11.5
69.03434	8.6
69.07088	3.8
69.78036	15.2
70.06581	9.1
72.08160	4.7
73.64091	3.0
75.43404	2.6
79.05496	3.3
81.03426	4.5
81.07069	5.1
84.08150	6.6
85.02898	10.9
86.09721	4.5
91.05481	6.9
93.07057	5.5
94.06583	6.2
95.04995	4.9
97.02893	3.6
97.06512	4.0
98.06107	3.6
98.97632	13.9
108.08102	6.9
110.06048	2.9
110.07146	3.0
116.98646	3.0
120.08131	10.2
121.02873	29.0
121.63464	2.9
122.06030	11.2
127.03943	7.8
131.00201	3.5
136.07584	8.8
138.05540	22.0
138.09180	5.0
141.09157	5.2
143.00148	5.8
144.08113	2.7
146.97368	3.4
148.07512	6.0
151.07573	4.5
156.06537	11.8
163.03877	3.7
166.08633	11.8
179.03328	4.1
179.07312	3.5
184.11235	3.6
189.10262	14.6
191.59111	2.8
194.09683	4.0
195.09225	3.8
196.10004	12.8
197.10706	6.2
199.61584	2.9
202.08620	4.0
202.10916	5.2
203.03595	6.9
206.08391	29.1
206.15572	2.6
209.10646	3.8
211.12294	19.2
214.08530	5.6
215.09647	3.3
219.01695	3.6
220.10017	4.9
221.10786	11.2
223.08701	11.1
224.09473	12.3
225.10335	3.3
227.08057	6.1
229.13475	4.1
230.11667	7.2
232.09735	5.6
237.02777	3.5
238.11044	11.1
239.11850	35.7
244.12061	4.4
257.12894	14.9
258.11346	6.5
267.11313	68.4
267.14059	5.0
272.11621	5.7
275.13849	8.7
276.12408	12.2
285.12369	100.0
303.13428	81.2
304.11813	6.2
310.78879	2.8
321.06366	4.6
321.11404	5.5
321.14597	38.2
321.18103	3.7
322.13855	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	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.77805	0.6
59.35456	0.6
67.05186	0.7
67.05513	8.1
68.25005	0.6
69.03434	0.8
70.92552	1.2
71.04972	0.6
71.45195	0.5
72.08160	0.6
77.03918	0.7
79.05492	0.9
81.03442	0.6
81.07060	1.6
83.08625	0.7
85.02901	1.6
86.09684	0.8
91.05481	1.6
93.07034	1.6
93.07575	0.5
93.12856	0.6
94.06574	8.2
95.04990	0.8
95.08593	1.5
97.02927	0.7
99.84166	0.5
116.98611	0.6
118.06530	1.5
122.06035	30.7
130.06544	2.2
130.08647	1.7
132.08109	1.8
136.07584	54.7
140.07149	0.6
144.08119	1.6
145.02855	0.9
146.06000	6.0
162.33844	0.7
164.07071	100.0
182.08138	80.3
186.12747	0.9
188.07083	5.7
196.11243	0.7
242.11760	1.6
243.11104	0.6
259.14438	9.9
303.13193	0.7
303.16669	0.7
304.11615	0.8
321.10117	0.8
321.17154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.05518	0.7
58.17278	0.4
67.05508	8.7
67.55056	0.4
69.03429	0.6
69.07072	0.9
70.06571	0.7
71.05000	0.6
71.53575	0.6
79.05496	1.4
80.05014	0.4
81.03413	0.6
81.07064	1.8
83.08629	0.6
84.08165	0.6
85.02911	0.6
89.70235	0.4
91.05463	2.1
92.94913	0.4
93.07052	3.2
94.06575	9.0
95.04964	1.0
95.08610	1.5
104.22096	0.5
105.07018	0.7
107.08614	1.4
107.77656	0.4
108.08140	0.5
109.02837	0.5
109.06554	0.6
109.10126	0.8
114.47191	0.4
117.47298	0.4
118.06549	1.1
119.08599	0.6
121.10138	0.9
122.06037	26.4
123.11754	0.5
126.05473	0.7
130.06543	1.6
130.08633	1.1
131.08575	0.8
132.08089	1.1
133.10109	0.6
135.11684	0.5
136.07584	61.7
140.07063	0.9
144.08061	0.9
146.06029	3.8
147.99744	0.5
164.07071	100.0
165.07414	1.1
170.05994	0.5
182.08136	73.5
183.08519	0.5
188.07106	3.6
189.16302	0.6
191.12608	0.6
198.79453	0.5
216.10098	0.5
242.11734	1.5
249.18439	0.9
258.11319	0.6
259.14368	4.0
267.19427	0.6
275.10318	0.6
285.12317	1.0
286.10599	0.5
303.13382	0.9
304.11917	1.0
321.09543	0.5
321.14514	1.8
321.22342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.1
57.03419	1.1
58.99858	1.5
59.88061	1.0
68.98278	1.4
70.25639	2.6
70.99843	2.5
75.35775	1.0
82.99836	11.1
85.01356	1.4
85.02869	2.1
85.59878	0.9
86.99308	1.5
91.02444	1.4
94.99822	2.9
97.01416	5.3
97.02896	1.0
98.01534	0.9
98.21400	1.0
98.97550	3.7
99.02980	1.6
100.35404	1.2
101.00890	55.0
103.02396	1.6
112.99149	16.8
113.00874	26.1
113.03442	1.8
115.01694	1.5
115.02445	26.7
117.04018	8.4
119.01934	48.8
125.00811	2.8
126.98775	2.0
127.02414	6.6
129.00305	1.4
129.03943	3.6
131.00269	8.6
131.01918	30.2
133.03477	33.0
135.04973	4.5
137.00853	5.2
137.02998	5.4
137.03876	1.0
138.01532	1.3
139.02364	1.7
141.03920	4.2
143.01906	27.4
144.42648	1.0
144.99814	1.7
145.03479	15.5
147.01376	2.5
147.04996	2.3
147.92525	0.9
149.01103	1.8
149.02942	2.7
151.04474	2.3
153.04016	2.3
155.01913	34.5
155.05585	1.8
156.02632	3.6
157.03474	7.6
159.01266	1.9
159.05048	30.0
161.01785	1.2
161.02980	19.9
161.06587	1.4
163.04524	2.4
167.01846	1.2
168.99818	14.7
171.01401	6.9
171.05043	36.4
171.54346	1.2
172.99367	1.1
173.02977	24.7
173.06633	7.1
175.04459	3.8
177.02431	1.7
177.06100	9.4
183.01476	1.1
183.05074	5.2
185.02971	4.8
185.06535	3.9
187.00885	25.3
187.04375	2.2
189.00995	1.2
189.02477	11.8
189.03992	1.7
189.04317	1.3
189.06088	17.5
191.03990	11.0
191.07652	1.1
191.99817	1.2
193.03865	5.5
193.05251	1.1
195.04988	1.6
195.07069	1.6
196.99345	8.8
197.02849	1.8
199.00769	1.6
201.02356	4.1
201.06067	10.2
203.02322	1.9
203.04021	19.5
203.07581	3.2
205.01984	5.4
205.05646	1.0
211.04730	2.6
213.06099	7.9
215.00380	27.7
217.05374	1.1
219.03415	3.5
219.07149	11.3
221.05090	37.9
228.99973	1.4
229.01950	18.0
231.03407	3.8
231.07118	7.0
233.01350	2.2
233.05052	16.5
233.08611	2.1
240.07585	1.5
243.07147	7.0
245.05078	9.3
247.03015	53.8
248.03053	1.2
249.04509	2.9
255.07053	2.3
261.02518	2.3
261.08234	56.0
262.08356	1.1
265.04028	5.7
273.08105	2.5
279.05862	3.2
279.09268	75.3
289.01343	1.4
289.03864	6.4
299.32162	1.0
321.06567	8.5
321.10245	100.0
322.10400	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01871	1.8
55.05500	0.5
57.03428	0.6
61.02922	0.5
65.03942	2.7
66.60605	0.3
67.05517	0.7
68.99798	1.6
69.03428	3.5
69.07096	0.3
70.06592	0.5
71.01347	0.6
71.04996	0.5
71.53918	0.3
73.02895	0.3
79.05499	1.0
81.03421	2.9
81.07063	1.1
83.04982	0.9
84.08168	0.3
85.02909	3.7
85.06553	0.3
86.09725	0.5
87.00829	1.6
87.04472	0.4
91.05484	100.0
92.05807	0.4
93.07059	1.0
94.06589	0.3
95.04951	0.6
95.08627	0.7
97.02905	0.9
97.06547	0.4
99.04490	0.6
103.05469	0.8
105.07052	1.8
107.08585	0.4
109.02893	2.2
110.07161	0.3
111.04448	0.6
115.05435	1.2
116.07093	0.3
117.03471	0.3
117.07019	10.3
118.06571	0.7
119.04949	0.6
119.08563	0.9
121.06505	0.4
121.10165	0.6
122.06034	3.7
125.09668	0.3
127.03918	1.4
128.06224	2.6
129.01846	0.8
129.07011	5.8
130.06532	0.6
130.08659	0.6
131.04938	0.6
131.08569	1.5
132.08095	0.4
133.06511	0.9
133.10092	0.4
136.07588	4.1
141.07005	1.1
143.08562	3.2
144.08086	0.5
145.02876	0.7
145.06494	3.9
145.10167	0.3
146.06001	1.7
147.08047	1.0
147.11714	0.4
150.05525	2.3
151.78738	0.3
153.06995	2.1
155.04953	2.3
155.06058	0.6
155.08672	0.3
157.06563	0.9
159.08011	0.4
168.06644	0.6
169.06551	1.0
171.02965	0.3
171.08063	4.1
171.09366	0.4
173.04495	0.6
173.05986	4.8
175.07585	1.1
177.05505	0.7
181.06494	3.3
187.07550	0.6
188.07054	1.7
189.03912	0.6
189.09149	0.5
199.07545	7.2
217.08588	3.3
235.09828	0.4
239.80774	0.2
243.11324	0.4
259.14471	2.2
261.12570	0.2
285.12088	0.4
303.08859	0.4
303.13055	0.6
303.16638	0.3
321.10092	1.2
321.13995	0.5
321.17630	0.4
321.22653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0947
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
58.87089	4.7
69.44329	9.2
69.44729	27.7
72.83555	4.6
85.02902	12.4
95.06084	7.2
98.20780	7.0
101.00881	7.6
111.05574	18.9
115.02485	7.2
119.01959	10.7
123.05551	9.6
133.03477	10.2
141.06573	38.2
155.01917	5.1
159.07635	23.6
161.02936	6.0
171.04990	5.0
204.12306	8.3
220.07256	6.1
221.05009	7.9
221.06984	5.6
245.04900	6.0
261.08203	9.1
279.09286	10.1
321.09625	100.0
321.11655	36.1
326.75854	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	321.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28482	1.4
56.04995	1.6
56.96547	1.9
70.21559	6.1
70.99852	2.6
81.51553	1.4
82.99838	10.0
85.01375	1.8
89.00853	1.4
94.99811	2.1
97.01370	6.2
98.97594	1.8
101.00887	55.8
112.99157	11.2
113.00877	24.2
113.03529	1.4
115.01669	2.5
115.02433	24.9
117.04030	7.4
119.01932	56.0
125.00885	2.8
126.98788	2.0
127.02385	6.5
129.00269	1.6
129.03958	4.3
131.00150	6.2
131.01912	29.5
133.03485	37.6
135.05014	3.9
137.00790	6.6
137.02885	4.2
141.03893	5.4
143.01913	24.0
144.99835	2.3
145.03464	16.0
147.01372	2.0
147.04991	2.5
149.01241	1.9
149.02859	3.1
151.04454	3.1
153.03993	2.0
155.01901	27.9
156.02649	4.7
157.03481	8.7
159.01331	2.3
159.05043	27.3
161.02959	19.7
163.04507	4.4
168.99796	15.4
171.01395	7.0
171.03714	2.2
171.05045	34.2
173.01610	2.3
173.02966	24.3
173.06636	7.7
173.07774	1.7
175.04489	2.7
177.02455	3.5
177.06155	8.7
180.66280	1.6
183.01369	2.2
183.04971	3.7
185.02913	4.6
185.06555	1.5
186.99326	2.4
187.00897	26.8
187.04417	3.2
189.02451	11.5
189.06058	14.3
191.03998	10.8
193.03792	2.5
196.99329	11.0
197.02821	1.6
201.02377	5.4
201.06100	11.9
203.04007	18.8
203.07562	1.7
205.02007	8.6
211.04674	2.1
213.05991	6.0
215.00381	32.4
215.03737	1.6
219.03484	4.2
219.07074	8.2
221.05077	36.4
229.01939	26.8
231.03471	3.1
231.07176	8.2
233.01430	3.2
233.05098	23.3
243.07047	5.3
245.05077	8.2
247.03001	65.2
249.04707	2.2
255.07051	1.8
261.08224	46.1
262.08057	1.7
265.04147	7.7
273.07953	1.8
279.06281	2.6
279.09259	68.8
289.04337	9.1
321.06503	9.5
321.10223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.7
55.05495	14.0
56.96564	24.7
66.85368	4.1
67.05498	15.9
68.04998	4.1
69.07067	8.2
69.49636	3.6
71.04993	5.8
79.05475	12.4
81.03422	42.1
81.07046	17.3
83.04973	10.4
83.08615	17.2
91.03991	3.8
91.05498	21.3
93.07030	18.0
95.04971	19.1
95.08585	13.4
97.02943	4.9
97.06524	11.4
98.97595	49.6
105.07024	15.9
107.04923	3.9
107.08586	12.0
109.10175	5.9
111.04399	4.5
111.08093	9.8
111.55477	4.4
116.98641	25.5
119.08564	15.5
121.10150	9.4
129.06960	7.8
131.08568	16.1
133.10149	9.5
134.99632	8.6
135.11674	6.3
147.11713	10.0
149.09648	4.8
157.10126	13.0
163.11087	4.4
175.11150	14.2
193.12260	80.2
207.05553	4.5
225.14857	100.0
229.07463	19.4
247.08571	11.1
255.09044	16.2
259.08542	5.1
273.10370	5.3
279.09076	12.8
297.10156	72.5
302.23129	4.8
315.11115	16.5
320.22211	10.3
320.25748	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	320.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.8
55.05507	2.7
55.76273	0.9
56.05028	2.5
56.96560	3.6
57.03446	1.1
57.07074	1.5
58.04229	0.9
60.04528	0.9
61.01148	2.5
61.02919	2.0
63.85142	0.8
67.05499	3.7
69.03439	4.4
69.07076	1.6
70.06601	28.6
70.37382	1.7
70.37743	1.5
71.05000	1.0
72.08155	10.9
73.02932	1.1
73.79375	0.8
74.06086	0.8
82.06586	2.0
83.04975	0.8
84.04498	1.0
84.08157	2.6
85.02916	12.1
85.59450	0.7
86.09698	6.2
91.05504	1.3
93.07047	2.1
95.04971	0.8
95.08618	14.4
97.02917	1.5
98.06065	81.2
98.97599	4.5
102.05547	1.0
104.05347	2.7
107.05009	1.2
110.07191	1.2
112.11263	4.5
116.98602	1.3
120.08150	1.3
121.06511	3.3
127.03916	2.3
127.08700	1.1
129.10233	1.4
130.12268	1.5
136.07613	6.8
140.10715	63.6
145.04964	1.3
147.04214	0.8
158.11781	100.0
163.03862	0.9
172.11580	2.0
179.03441	2.2
184.07367	1.1
193.09685	5.5
201.00819	0.9
217.13727	3.9
219.01775	1.2
221.09315	2.2
234.98969	0.9
237.02913	1.1
278.07330	0.9
303.13013	1.1
320.17062	1.5
339.07559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45795	1.7
53.03947	3.0
55.01860	2.8
55.05503	3.1
56.05024	4.8
56.96565	3.6
57.03443	10.0
59.05011	9.0
60.04515	5.0
67.05500	6.9
68.05036	2.5
69.03439	8.1
69.07055	5.2
70.06597	12.9
71.04984	7.7
71.53974	3.0
72.04521	3.6
72.05768	10.8
72.08146	5.7
73.06546	3.3
74.06096	3.3
79.05494	3.5
81.03419	7.9
81.07058	4.2
82.06579	4.5
83.04976	2.4
84.04494	7.2
84.08154	11.2
85.01091	1.5
85.02912	10.2
85.03981	1.8
85.06545	2.3
86.06055	4.8
86.09717	21.4
86.47432	1.6
88.04004	3.3
91.05483	2.6
94.06567	7.2
95.04963	17.3
95.08630	2.0
96.04482	3.8
97.02887	4.8
97.06528	3.6
98.06051	5.5
98.97567	5.0
100.03951	1.8
102.05521	2.1
103.69050	1.6
104.05330	2.7
105.07098	1.6
107.04989	3.5
108.44392	1.6
110.06023	5.4
110.07177	2.8
111.04468	2.4
112.03970	22.8
112.07597	6.7
113.06010	2.1
114.05553	10.5
114.09196	3.1
116.07084	6.0
116.98641	1.8
119.08588	2.4
120.06608	1.7
120.08102	8.4
121.02866	1.7
121.06498	2.2
122.06017	6.5
123.04435	20.9
127.06270	2.7
129.10236	7.4
130.06569	2.5
132.08072	2.3
133.10149	1.8
136.07602	4.5
136.21852	1.6
139.66022	1.9
140.07072	38.4
141.05473	5.9
143.00192	1.8
143.11809	11.0
146.06001	5.6
147.06355	3.5
148.07507	3.0
149.05951	2.1
149.08421	1.9
150.05705	6.1
152.07076	2.4
156.06528	2.0
157.07368	2.4
158.08144	16.0
158.11761	7.0
159.11366	2.1
166.08615	4.8
168.06555	6.0
170.08049	2.1
171.11313	2.2
172.09665	3.0
173.09247	2.5
174.07697	3.1
176.09200	48.0
177.05446	2.0
178.08607	2.0
184.09709	4.4
186.07594	7.7
188.07056	3.3
189.07309	3.6
190.12271	3.7
193.83145	1.6
194.08162	7.8
202.10727	2.4
204.08664	1.9
208.56572	1.9
212.09140	8.0
213.09866	4.1
214.08734	2.6
214.10664	9.2
219.01692	2.6
226.10794	3.3
227.11357	8.8
228.12265	9.6
230.08179	1.7
230.10245	42.1
244.11749	2.5
248.07095	1.7
255.11150	2.8
256.11615	4.9
271.10315	17.4
272.11398	2.9
273.11862	11.0
274.12762	11.0
274.15323	1.6
276.14206	4.1
284.11023	7.5
288.62589	2.2
302.12195	76.9
320.13174	35.4
320.17023	100.0
325.73151	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15483	0.9
53.03940	2.1
55.01866	1.6
55.05502	2.4
56.05034	8.2
56.96560	2.2
57.03437	8.0
59.04749	1.2
59.05008	12.8
60.04525	5.3
61.01147	2.0
67.05514	5.8
68.05020	3.7
69.03429	4.9
69.07063	2.8
70.06596	15.2
71.04989	9.5
71.53645	1.5
72.04507	4.0
72.05782	9.1
72.08153	4.8
72.86826	0.9
73.06572	1.0
74.06084	2.7
75.04477	1.0
79.05471	3.4
79.90401	0.9
81.03419	7.9
81.07054	1.8
82.06578	5.4
83.05001	1.3
83.51910	0.8
84.01644	1.0
84.04498	10.9
84.08146	3.0
85.02477	1.3
85.02901	9.0
85.06533	1.1
86.03236	2.2
86.06067	3.5
86.09708	52.5
87.02679	0.9
87.04465	2.2
88.07635	4.7
89.06080	1.5
91.05480	3.2
93.07024	1.6
94.06585	7.0
95.04965	18.0
96.04484	1.7
96.08137	1.7
97.02895	10.5
97.06533	2.2
98.03233	1.6
98.06056	6.3
98.97583	3.6
99.04447	1.4
100.03938	1.6
101.07768	1.2
102.05534	7.4
104.05328	8.4
105.07043	1.1
108.08080	0.9
109.02824	1.6
109.06496	1.1
110.06028	6.2
110.07166	0.9
111.04449	2.8
112.03967	13.9
112.07631	5.7
113.06014	2.2
113.07091	2.9
113.08389	0.9
114.05544	8.6
116.07098	14.9
116.98621	1.3
120.08109	11.6
122.06013	8.1
123.04428	28.8
124.07589	2.0
125.05999	1.1
126.05499	1.5
127.03927	1.2
127.08637	1.7
128.04279	1.4
129.06595	1.1
129.10255	1.8
130.06540	1.3
132.04451	1.0
133.03204	4.0
136.07565	2.5
137.07899	0.9
138.09149	1.4
140.07063	40.1
141.05476	8.2
141.07411	1.8
141.10205	1.0
142.08647	1.3
143.11806	24.2
145.04947	1.4
146.11781	14.1
147.04408	2.8
147.07643	3.3
148.06041	1.7
148.07576	1.3
150.05829	14.1
152.07043	2.7
154.08607	2.3
155.11789	1.0
156.06529	1.4
158.06104	1.7
158.08127	15.4
158.11719	1.4
159.06505	1.6
165.07382	1.5
166.08635	4.7
168.06577	3.8
170.08141	2.6
171.11267	5.9
172.09698	1.4
173.12997	1.6
175.07111	3.9
175.08563	2.0
176.09181	37.4
177.10280	2.4
182.08133	4.6
183.08447	7.1
184.09741	2.4
185.10524	1.5
186.07635	5.7
188.55011	1.5
194.08168	5.2
196.09700	1.5
200.09167	1.1
202.10699	1.3
204.08595	2.1
206.08252	1.0
207.08504	4.7
212.09172	5.9
212.69630	1.2
213.09932	1.0
214.10771	5.9
221.09215	4.2
228.12369	2.6
230.10262	32.9
230.56047	2.0
233.14951	2.7
244.11821	1.2
245.12579	3.0
256.11945	1.9
260.03729	1.5
273.12332	0.9
274.12854	3.4
284.03012	1.1
290.33432	1.1
302.12219	2.4
302.16156	2.0
320.17032	100.0
321.09692	1.6
322.60748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
54.91033	1.1
55.01840	1.4
55.05479	3.2
56.05031	6.2
56.96514	1.2
57.03440	11.4
59.05004	21.3
67.05502	14.3
68.05000	3.2
69.03409	2.1
69.07030	2.9
69.63860	7.0
70.06587	9.4
71.01334	1.5
71.04674	1.1
71.04992	13.4
72.04478	3.3
72.05772	13.5
72.08154	9.9
73.02875	1.3
73.06517	3.5
75.04465	1.7
75.66299	1.2
76.54657	1.1
79.05485	7.4
80.04984	5.0
81.02978	1.1
81.03416	7.5
82.06569	9.0
83.04973	2.7
84.04514	9.4
84.08103	2.1
85.02899	5.9
85.06512	2.8
86.06022	3.4
86.09669	5.3
87.04427	3.4
88.07652	6.8
94.06586	6.2
95.04963	22.7
97.02897	19.0
97.05299	1.2
97.06492	3.4
98.05541	1.1
98.06045	13.4
98.97559	1.3
99.04425	3.5
104.05286	2.2
109.02831	1.5
110.05997	2.8
110.07123	1.7
111.04430	7.1
112.03934	2.6
112.07628	6.3
113.06010	6.6
113.07124	2.0
113.08348	3.9
114.05513	1.2
116.06347	1.5
116.07088	16.0
120.07368	1.4
120.08100	12.9
122.06065	6.6
123.03620	1.3
123.04427	22.9
124.07552	5.2
126.05485	2.9
126.09151	1.4
129.09064	2.1
130.06458	5.0
132.04369	1.8
134.06007	1.2
136.07544	1.8
138.09087	1.4
140.05992	2.3
140.07065	45.7
141.04559	1.4
141.05464	14.4
145.58676	1.1
148.07547	2.3
150.05463	1.7
150.91022	1.3
152.07047	2.0
153.07755	1.7
154.08565	2.3
156.06479	1.8
157.07471	2.6
158.05936	4.6
158.08125	26.0
159.06474	4.8
159.09106	2.2
161.07304	2.1
166.08594	4.7
168.06535	2.5
170.08038	3.2
175.07368	1.0
175.08665	8.0
176.09184	43.4
177.10146	3.0
177.96210	1.0
178.08583	1.7
184.09590	2.7
185.10368	4.5
186.07533	4.7
189.07054	1.4
194.08028	4.0
196.09636	2.0
202.10670	1.3
203.08118	2.3
204.08574	3.9
212.09193	7.7
214.10719	7.7
217.10857	1.5
221.09181	12.3
228.12183	4.2
230.10231	39.8
235.87926	1.1
244.11696	2.5
245.12567	2.5
256.11652	1.3
274.12930	6.0
277.11456	1.3
290.09732	1.1
302.12103	1.5
302.15622	2.9
311.44357	1.4
320.16824	100.0
321.16861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.2
53.41104	1.0
55.01862	2.4
55.05497	2.6
56.05038	6.1
56.96566	1.3
57.03200	0.9
57.03444	9.3
59.05005	21.0
60.04498	1.1
67.05193	1.2
67.05508	15.1
68.05014	3.8
69.03423	2.1
69.07056	3.2
69.23109	9.6
70.06590	6.8
71.01341	1.2
71.04993	12.8
72.04504	2.9
72.05774	11.5
72.08140	4.6
73.02918	1.0
73.06551	2.3
75.04477	1.2
79.05486	7.1
80.05025	6.3
81.03418	6.8
81.07009	1.7
82.06578	8.2
83.04988	2.0
84.04485	7.0
84.08138	3.2
85.02887	4.4
85.06520	1.8
86.06063	3.0
86.09705	3.1
87.04453	3.3
88.07639	6.0
91.05470	2.8
93.07024	1.7
94.06574	7.2
95.04967	21.9
96.04456	1.2
96.08111	1.5
97.02892	21.2
97.05292	1.3
97.06528	1.7
97.86114	1.0
98.06052	14.8
98.97575	2.4
99.04427	3.9
106.06526	1.4
109.02848	1.0
110.06017	3.2
111.04437	3.4
112.07594	6.3
113.05996	5.3
113.07070	1.4
113.08371	3.2
114.05473	1.5
115.03876	1.0
116.07087	11.6
120.08089	5.3
122.06035	7.7
123.04434	27.8
124.07567	4.8
125.08315	1.2
126.05469	2.2
126.09125	2.6
129.10204	1.1
130.06564	1.4
136.07532	2.0
138.09109	2.5
139.03949	1.2
140.07072	45.6
141.05463	19.1
145.10147	1.3
148.07504	2.3
150.05486	2.2
152.07031	1.9
153.07840	1.8
154.08665	1.5
158.06885	1.8
158.08127	26.7
159.06511	4.4
162.05569	2.0
164.07362	1.6
166.08624	3.4
168.06561	3.2
170.08138	1.9
174.07545	1.1
176.06923	1.7
176.09196	39.2
176.10747	2.1
177.10274	1.4
178.08630	1.3
184.09772	1.0
185.10451	3.1
186.07602	4.3
188.07126	1.5
194.08167	5.0
195.08775	1.3
196.09639	2.5
200.09116	2.4
204.08704	5.0
204.81500	1.0
209.07726	1.2
212.09192	7.9
213.10124	1.1
214.10692	8.4
226.10550	1.1
227.11397	1.8
228.12262	4.7
229.10614	2.0
230.08116	2.2
230.10243	31.9
244.11772	3.6
245.12611	2.6
256.09418	1.1
256.11700	4.8
271.10367	1.9
272.11090	1.6
273.11877	4.2
274.10275	2.4
274.13116	8.0
276.14273	1.4
284.10995	1.3
302.12289	14.0
302.15680	1.7
320.13553	4.2
320.17014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2633
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
53.03946	4.5
55.05514	15.9
55.41427	1.7
57.07069	3.9
58.46275	1.8
61.36694	1.9
67.05511	35.6
69.07062	13.5
70.01035	1.9
70.66264	2.2
70.66597	4.4
79.05497	72.5
79.20347	2.0
81.07059	47.1
82.48068	1.7
83.04997	2.8
83.08601	7.1
89.06063	2.4
91.05483	25.3
91.68227	1.9
93.07045	100.0
95.04980	5.5
95.08607	32.8
97.06516	3.3
97.10167	4.1
104.62979	2.0
105.07034	12.7
107.08598	47.5
109.02885	3.9
109.06545	2.1
109.10169	12.3
111.04442	2.5
117.07040	2.7
119.08602	8.8
121.10140	42.6
123.11696	4.4
131.08591	3.5
133.10139	10.6
135.11691	46.7
138.80057	2.0
145.10133	7.1
147.11699	6.0
149.13261	31.6
149.16031	2.1
152.86351	1.9
159.11707	4.1
161.13278	2.6
163.14850	14.5
171.11708	1.9
173.13304	2.2
175.14839	2.4
177.16418	3.0
191.83002	1.8
199.14757	2.0
225.08243	2.0
287.23755	7.6
319.26318	53.2
319.29788	2.2
331.58121	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	319.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01894	0.4
55.05519	1.4
56.05045	0.7
56.27747	0.5
56.96570	1.4
57.03433	2.6
59.05008	0.6
60.04538	3.0
66.92014	0.5
67.05514	1.8
69.03441	1.7
69.07069	1.6
69.17563	4.9
70.06597	1.8
71.05001	1.2
72.08160	6.8
73.08465	2.4
79.05520	1.1
81.03426	1.0
81.07074	1.7
82.06559	0.5
84.08158	2.3
85.02925	2.0
85.06570	1.6
86.09704	7.6
87.05602	2.6
87.10046	2.0
88.05958	0.9
91.05477	1.1
93.07055	0.9
95.04998	0.9
95.08619	0.8
96.08173	0.7
97.02898	1.2
97.06562	1.9
98.06072	1.7
98.21640	0.8
98.97595	3.9
99.08099	0.9
105.07059	0.8
107.04997	0.7
107.08610	0.7
111.08119	0.5
112.03992	0.7
114.09174	1.2
115.09521	1.1
116.98629	0.6
117.07079	0.6
118.06533	3.2
118.08662	0.7
119.08598	1.1
120.08081	0.7
121.06522	0.5
121.10162	1.0
128.07123	0.8
129.07065	0.6
129.10229	0.8
130.06537	8.5
130.08664	0.8
131.08621	0.7
132.08086	5.6
132.08852	0.5
132.10262	0.8
133.10313	0.5
135.11684	0.6
136.07648	0.7
140.07101	0.5
142.08694	0.7
143.06123	0.5
143.08571	0.7
144.00780	0.5
144.06635	0.9
144.08131	2.7
145.07610	1.1
145.08708	0.5
146.06015	9.6
147.11751	0.7
149.09613	0.5
154.06599	1.1
156.06870	2.0
156.08107	1.1
157.07616	14.7
157.08679	1.2
157.10175	0.6
158.06038	1.3
158.08467	1.0
158.09610	3.5
158.99741	0.7
159.11343	6.1
160.07614	0.7
160.11684	5.2
168.08087	0.9
169.07687	1.3
170.06021	1.0
170.08284	1.2
171.09221	1.4
172.11200	0.7
173.12949	2.4
174.09245	0.9
174.13295	1.9
176.09286	0.6
182.08391	1.0
183.09270	0.7
184.10039	1.5
184.11371	0.8
185.07190	1.0
185.10777	1.5
187.10901	2.1
188.07083	8.5
188.11153	2.1
194.08447	0.7
195.07848	1.0
197.10710	0.6
198.07985	1.2
199.08727	1.6
199.12338	1.6
200.10779	1.1
201.12563	1.2
202.07405	0.7
202.12744	1.2
203.08160	12.8
203.14374	0.8
205.15945	1.5
207.52489	0.6
209.10834	1.6
210.09326	0.8
210.77557	0.5
211.08611	2.7
211.12387	1.3
212.09424	4.7
213.10283	3.9
214.08719	1.0
217.15945	1.4
219.01706	0.8
225.10245	2.8
226.10997	8.7
226.13019	0.7
227.11803	13.2
227.13974	1.0
228.10205	4.9
229.09557	0.6
230.10284	0.9
237.02925	1.1
239.08255	0.5
239.12033	0.8
241.09610	0.6
254.10564	1.7
255.11258	8.8
255.13481	0.7
257.12961	4.7
258.11316	1.4
270.09998	16.7
271.10794	2.8
272.11563	13.7
273.12332	8.9
273.15182	0.6
275.13885	6.8
275.16501	0.7
283.10818	9.5
287.20251	1.0
291.04004	0.6
301.11951	100.0
301.15570	29.9
302.12305	0.6
319.13007	39.4
319.16632	6.9
320.17157	1.7
337.11594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2025
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05516	6.6
56.05051	1.2
56.96555	1.6
58.32948	0.6
60.04527	28.9
61.02921	0.7
62.11625	0.6
67.05505	1.1
69.03429	3.4
69.07054	2.2
70.02944	1.6
70.06586	2.3
71.52383	0.6
72.08159	70.1
74.06081	0.7
79.05481	0.7
79.42320	0.7
81.03435	0.8
81.07057	1.4
83.04972	0.8
84.08147	1.6
85.02888	2.2
86.09711	54.7
87.05595	20.6
87.09997	0.6
88.04005	0.6
90.05563	0.9
91.05489	1.0
91.24253	0.6
92.57449	0.5
93.07058	0.7
94.06561	1.6
95.04953	0.8
95.08534	0.7
96.08119	2.0
97.02892	1.5
97.10159	0.6
98.09679	0.6
98.97592	4.8
105.07029	0.8
107.08595	1.2
110.06061	0.8
110.97554	1.3
111.08041	0.7
114.09171	19.0
116.98632	1.2
118.08669	3.5
120.08068	2.0
120.80202	0.6
121.06490	1.0
121.10095	0.6
128.10707	4.1
128.98653	0.7
129.10257	1.3
130.06546	2.5
131.08569	1.0
131.56261	0.7
132.10208	6.7
138.05516	3.7
138.09166	0.6
141.10205	0.8
143.11746	0.8
145.04971	0.9
146.06021	1.0
156.00755	1.1
156.06570	3.0
156.10164	1.4
157.07639	3.8
158.06085	0.8
158.99625	1.4
159.11296	100.0
160.07591	0.7
160.21663	0.7
162.00775	0.8
173.12868	48.8
187.10782	42.6
187.14403	2.0
188.07025	0.7
188.10576	0.7
198.01790	0.7
201.12347	19.2
202.14980	0.7
203.08109	3.1
205.08047	0.7
205.11852	3.2
207.02417	0.8
210.14925	1.6
211.13315	1.7
214.08525	1.0
218.53044	0.7
219.13387	2.3
227.11813	1.2
228.06424	1.2
228.10210	0.8
228.15947	1.9
228.18019	0.7
231.17061	2.2
237.09222	1.2
249.04005	1.0
249.08014	1.7
257.12805	1.9
258.04114	2.5
270.09775	1.3
272.12271	0.6
273.12323	1.0
274.16324	1.3
283.10651	1.0
288.10623	0.9
300.13315	1.0
300.19073	0.8
301.11835	9.7
301.15512	7.3
318.05692	0.9
318.12241	1.4
318.16132	1.6
318.20361	1.3
319.12839	3.7
319.16479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01872	0.6
55.05516	0.7
56.05031	0.9
57.03434	1.0
58.51411	0.4
61.02909	1.2
67.05504	3.2
68.05039	2.8
69.03429	2.5
69.07065	1.0
69.73684	1.7
70.06571	0.6
72.08157	3.8
73.02940	0.5
74.06053	0.5
76.04012	0.5
81.03410	1.4
82.06128	0.5
82.06582	5.6
83.06084	0.4
84.04508	2.4
84.08125	1.2
85.02908	9.2
86.09711	13.3
87.10033	0.4
88.04017	0.5
91.05477	1.7
93.07050	12.8
95.04930	0.6
96.04485	1.0
97.02901	2.6
98.20831	0.5
98.97570	1.4
99.04446	0.8
102.05538	1.2
102.85840	0.4
108.04444	0.3
108.68282	0.4
109.02863	0.8
110.06062	1.1
110.09686	15.5
110.97589	0.4
121.02806	0.6
127.03922	1.6
129.06682	0.4
134.02332	0.4
138.05516	8.8
138.09148	41.7
139.03896	0.5
141.06557	0.5
143.11824	1.9
145.04926	1.6
148.06058	1.3
155.04668	0.6
155.54929	0.5
156.06641	6.6
156.10208	100.0
157.13388	0.5
158.07993	0.4
159.07530	0.5
171.11317	0.6
180.06555	1.7
185.16541	2.9
187.07153	0.5
197.12953	1.9
198.07729	0.6
212.05177	0.4
213.16008	2.2
215.13853	0.6
219.01822	0.8
222.07677	0.5
225.12424	0.6
227.53406	0.4
227.56979	1.2
228.07094	0.5
236.57304	0.4
259.48221	0.4
318.12381	2.2
318.15604	0.7
319.13672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77289	1.6
53.03943	2.9
54.24482	1.6
55.01860	2.8
56.96560	2.6
57.03429	4.0
57.84748	1.7
61.02918	10.6
61.87280	1.6
69.03127	1.5
69.03439	14.3
70.26981	4.5
71.04990	3.5
72.08173	2.2
73.02927	4.6
81.03403	9.1
84.04493	2.5
85.02908	100.0
86.09707	21.8
87.04475	3.1
88.03958	2.0
91.03960	6.1
91.05437	2.6
93.07035	2.8
96.44009	1.6
97.02889	24.6
98.97575	3.0
99.04436	4.6
103.05475	2.6
104.24657	2.0
106.90971	2.3
109.02891	6.6
116.07097	3.2
120.61438	1.5
121.06507	68.3
127.03921	18.9
132.10216	10.0
138.05499	5.7
138.44968	1.5
139.03981	1.6
141.06606	4.5
141.10149	1.8
145.04961	46.2
145.06258	2.6
156.06535	2.9
156.10168	5.9
159.07654	8.3
162.07603	2.1
163.06038	9.5
173.12857	4.1
179.06996	2.9
180.08702	21.3
187.07455	16.1
201.12358	10.6
205.08633	10.7
206.42773	1.6
229.08560	4.1
229.12073	1.8
239.00545	1.6
247.09602	4.6
265.10577	3.5
278.47836	1.7
284.50061	2.0
295.05215	2.2
318.15536	4.7
319.13745	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01861	0.4
55.05504	0.6
57.03446	1.5
59.33760	0.3
60.04531	1.5
61.02936	1.3
67.05509	0.4
69.03441	3.8
69.07075	1.8
69.78719	0.3
69.93710	0.2
70.06576	0.7
70.07404	0.4
70.14111	0.2
71.04996	0.3
71.13594	0.5
72.08158	2.7
73.02918	0.5
79.05496	0.3
81.03426	1.4
81.07059	0.2
82.06577	0.9
83.08639	0.2
85.02903	6.9
86.09289	0.3
86.09717	3.1
87.04461	0.7
87.05571	0.4
88.46468	0.2
91.03941	0.4
91.05479	0.3
93.07047	1.4
94.72767	0.3
95.08611	1.2
96.04504	2.8
96.08141	2.5
97.02895	3.2
97.05261	1.5
97.06535	1.2
98.97578	0.3
99.04459	0.7
100.07610	1.0
108.08099	0.5
109.02913	0.7
109.06541	0.5
110.06050	6.1
110.09682	3.7
111.08080	0.9
114.09167	0.9
120.08109	1.1
121.06507	2.8
123.06833	0.3
125.08334	0.6
126.09167	8.4
127.03915	0.9
128.10641	0.3
132.10176	0.5
138.09143	18.0
139.07539	1.2
145.04962	0.8
152.10713	0.4
156.10208	100.0
157.10556	0.4
159.11304	4.6
168.10182	1.0
173.12907	2.5
180.10258	0.5
187.10789	1.6
194.81682	0.2
198.11252	0.7
201.12350	0.8
205.11928	0.4
210.14949	0.4
222.11324	0.3
228.15985	0.6
318.12122	0.2
318.15518	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36551	0.9
53.03940	2.4
55.01861	3.3
55.05503	1.9
56.05032	0.9
56.28511	0.8
56.96559	3.2
57.03445	6.2
60.04519	1.5
61.02929	9.7
66.87099	0.8
67.14509	0.8
69.03093	1.0
69.03436	15.3
69.07074	1.8
70.02965	1.0
70.06599	37.5
71.04998	2.3
71.52279	1.2
72.08167	4.5
73.02905	3.3
74.06073	1.4
81.03414	5.4
81.07067	1.2
83.05003	1.0
84.04506	2.1
84.08135	3.9
85.02911	100.0
86.09706	9.4
87.04466	3.2
87.05517	0.9
88.04012	1.6
91.03948	6.5
91.05475	3.4
93.07053	5.5
95.04922	1.1
96.54309	1.0
97.02900	20.9
97.06522	1.0
98.97581	5.6
99.04470	4.6
102.05561	1.8
103.03942	2.2
103.05444	1.5
105.03393	1.8
109.02866	8.4
110.07150	1.9
110.97536	1.1
115.08714	1.9
116.98627	2.0
120.08086	3.5
120.37872	0.8
121.02860	4.1
121.06513	77.8
125.07146	0.8
127.03932	21.9
129.10233	2.3
130.06532	6.7
130.08707	0.9
132.10217	1.5
136.07608	1.2
138.05519	10.0
138.09148	2.9
139.03894	5.1
141.06955	1.1
143.11833	6.3
145.04971	40.6
145.06267	1.7
145.06494	2.1
148.06105	2.2
156.00900	1.1
156.06566	5.2
156.08064	6.7
156.10199	3.0
157.06453	1.6
157.07640	2.3
158.06038	2.2
159.08011	2.9
159.09183	1.7
162.07735	1.5
163.03944	2.2
163.06065	8.4
163.07346	1.7
171.08054	1.0
171.11295	1.2
175.07401	1.3
175.08693	3.5
179.03372	1.6
179.07002	1.8
180.08737	4.3
185.07246	1.3
187.07539	16.8
189.09074	1.3
201.12436	1.2
205.08643	12.8
207.02368	1.6
211.07602	1.4
217.08621	2.0
219.01741	1.2
221.09218	5.4
229.08551	6.3
235.09702	1.6
247.09636	7.1
249.03867	1.1
258.04370	1.5
265.08002	0.9
265.10745	5.0
288.10614	1.8
290.14868	1.5
295.09067	1.0
300.10406	4.6
300.13525	2.0
317.64380	0.9
318.11389	2.0
318.14511	3.3
318.29916	1.1
325.39920	1.0
331.66788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.5
55.05508	2.2
56.96564	4.9
57.03423	2.7
60.48267	1.5
61.02921	6.4
65.03926	2.2
67.05498	2.4
68.05033	1.7
69.03437	13.8
69.07089	2.9
70.06615	57.8
70.07403	1.8
70.36330	1.5
71.04998	2.4
72.08172	7.9
73.02917	4.2
74.06082	3.8
81.03423	4.8
81.07037	1.8
84.04496	2.4
84.08144	5.0
85.02917	55.8
86.09721	9.0
87.04485	1.9
91.03956	2.3
91.05491	2.0
93.07064	5.5
93.86299	2.1
95.04996	3.1
97.02904	14.7
97.06556	2.6
98.21419	2.6
98.97617	7.4
99.04437	2.7
102.05561	2.8
108.68545	1.6
109.02898	4.4
110.06107	2.0
110.07126	1.6
111.04446	2.0
116.07063	2.7
116.98628	3.5
120.08097	5.0
121.02882	73.3
121.06521	30.0
127.03924	12.0
129.10274	2.4
130.06532	6.9
132.04512	1.8
138.05527	14.2
138.09192	3.6
139.03918	100.0
143.11815	4.8
145.04971	19.5
146.06087	1.7
156.05450	3.3
156.06615	6.3
156.08093	15.4
156.10213	3.7
157.07605	3.4
158.06018	5.2
163.03984	3.8
163.06033	4.7
171.11258	1.9
173.12946	2.1
175.08720	8.5
179.03468	2.3
180.08653	1.8
185.07167	2.4
187.07564	9.7
187.28683	1.6
193.04324	2.3
193.46303	1.5
198.01851	2.8
201.12288	2.5
203.08191	4.0
205.08627	5.7
219.13435	3.0
221.09265	10.8
232.05191	1.8
237.02715	2.1
246.05740	2.1
258.03940	5.2
265.10779	2.3
283.10443	1.8
300.10229	6.7
300.13492	3.4
318.06754	1.8
318.11337	3.0
318.14615	9.3
318.18677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03934	2.6
53.14161	2.3
53.70628	2.3
55.05513	14.9
56.96555	7.5
57.03438	4.0
57.07069	9.9
67.05505	31.4
69.03432	3.3
69.07085	12.0
71.04991	5.8
71.13001	2.2
71.55129	4.6
79.05502	10.0
80.53334	2.6
81.07059	25.8
83.04984	13.2
83.08611	8.8
85.06548	8.4
91.05470	18.9
93.07040	20.4
95.04958	6.1
95.08611	42.5
97.02879	6.1
97.06514	6.2
97.10186	5.4
105.07031	33.8
107.08598	44.8
109.06548	5.3
109.10159	34.9
111.04446	30.7
111.08096	5.6
117.07015	5.5
119.08596	42.4
121.06491	5.1
121.10138	22.7
123.08071	6.9
123.11708	8.2
129.07036	4.1
131.08595	13.2
133.10136	29.5
135.08076	8.0
135.11691	8.2
137.05969	2.9
137.09624	15.2
141.07014	2.7
143.08569	7.6
145.10164	17.8
147.08104	2.7
147.11707	14.6
149.09688	3.4
149.13263	5.9
151.07585	4.2
151.11160	14.8
157.10167	12.4
159.08089	4.3
159.11668	16.0
160.11227	6.7
161.09596	6.0
161.11545	2.7
161.13275	13.2
163.11253	3.4
163.14824	18.6
169.10130	3.2
171.11702	8.2
173.09660	5.4
173.13290	9.0
175.11217	5.1
175.14836	5.2
175.53793	3.2
177.12709	3.8
181.08641	3.8
183.11736	6.9
185.13248	6.3
187.11229	8.8
187.14828	3.4
191.10629	3.2
193.12271	3.7
197.13354	4.9
199.14821	7.7
201.12669	4.9
201.16400	7.1
205.12263	8.9
205.15919	3.2
211.14763	3.9
215.14304	4.0
217.12335	3.0
229.12244	5.3
239.18021	7.2
243.13837	3.5
245.15410	3.8
253.19580	5.8
257.03094	6.8
257.19058	10.7
271.20667	5.9
275.20084	15.2
281.19122	8.1
299.16684	4.1
299.20090	36.8
317.06641	5.4
317.17715	9.6
317.21152	100.0
317.24747	11.1
317.32471	7.3
335.18915	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	317.2113
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.48552	1.4
55.01875	2.2
55.05507	13.6
57.03434	1.3
57.07075	6.7
59.04989	3.2
60.04510	2.3
65.03915	1.4
67.05508	41.1
69.03432	4.3
69.07056	6.3
70.12281	5.8
71.04982	3.8
73.35042	1.4
79.05493	7.2
80.96980	1.3
81.07059	23.7
83.04973	6.1
83.08603	5.7
85.06519	3.5
91.05480	14.4
93.07040	15.8
95.04967	23.0
95.08614	20.7
97.06535	9.7
98.20834	2.3
105.07041	14.8
107.04950	2.4
107.08594	38.4
109.06517	16.5
109.10162	78.2
111.08104	3.2
113.09626	2.2
117.07017	3.8
119.08591	44.3
121.06532	6.8
121.10169	9.4
122.07277	1.6
123.08067	20.4
125.05991	3.5
125.09636	2.2
131.08546	6.8
131.61401	1.4
133.06502	3.5
133.10126	8.1
135.08047	9.8
137.05965	1.6
137.09618	57.5
139.07545	1.6
142.07774	1.6
143.08571	5.0
145.10167	11.2
147.08043	3.4
147.11696	3.8
149.09633	7.5
151.07549	52.2
153.05484	3.8
155.08594	3.0
155.10664	2.8
156.09354	4.1
157.10089	5.6
159.08073	3.0
159.11722	6.1
161.09592	9.7
163.07622	1.4
163.11188	5.4
165.09102	5.9
167.07095	2.7
167.50681	1.5
168.69139	1.3
169.10143	1.6
171.11726	4.7
173.09615	4.0
173.13263	2.7
175.11185	3.4
177.09071	3.0
177.12926	1.4
179.10643	1.9
181.08635	4.3
181.12206	2.4
183.11716	3.4
185.13281	1.7
187.11244	1.5
188.65181	1.5
189.12724	22.8
191.10660	1.9
191.14253	2.0
195.13721	1.5
197.13321	2.8
199.11176	4.0
201.12813	2.5
203.14255	2.8
207.13779	23.0
215.14317	4.4
217.12318	1.6
218.64478	1.6
219.13823	1.7
221.15355	4.1
223.14912	1.9
225.12851	1.6
233.15363	3.0
237.14828	6.7
243.13785	7.7
261.15009	3.9
278.78723	1.5
281.19055	3.7
299.20032	13.3
317.21121	100.0
318.21823	2.4
318.30063	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.01863	3.9
55.05507	13.2
57.07071	6.8
57.37984	1.7
59.04995	4.6
65.03934	1.7
66.29124	1.2
67.05511	41.5
69.03430	5.5
69.07055	6.2
70.06590	2.4
71.04982	2.2
71.12920	3.1
79.05492	8.9
81.07060	22.7
82.32677	1.2
82.85695	1.4
83.04959	4.3
83.08608	3.7
85.06544	2.0
86.11162	1.4
88.07629	1.9
90.04456	1.4
91.05484	12.5
93.07053	16.7
95.04967	23.6
95.08611	14.9
97.06542	7.0
98.60587	1.7
105.07038	15.9
107.04935	2.0
107.08594	36.2
109.06522	18.9
109.10160	75.1
111.08065	1.9
117.07018	3.7
119.08587	48.4
121.06503	5.7
121.10175	7.2
123.08068	16.0
125.09664	1.3
129.07019	1.8
131.08603	7.1
133.06493	2.9
133.10117	10.5
135.08066	10.6
135.11691	4.2
137.06046	2.9
137.09625	61.1
142.07767	1.5
143.08575	5.0
145.10103	12.5
147.08057	4.0
147.11688	5.8
149.09601	8.6
151.07549	53.7
153.05502	6.3
153.09085	1.8
155.08586	1.7
156.09291	1.8
157.10124	4.3
159.08118	3.1
159.11725	4.2
161.09666	10.1
161.13235	3.6
163.11183	5.8
165.09146	5.7
167.07098	2.3
167.08521	1.5
171.11710	5.2
173.09647	3.0
173.13100	1.6
175.11188	3.8
177.09195	3.3
179.10654	1.4
181.08591	3.8
181.12263	2.8
182.10930	1.9
183.11716	3.8
185.13193	1.8
187.11250	1.8
189.12764	20.5
191.10674	1.4
191.14394	2.5
197.13260	2.3
199.11208	4.2
199.14731	1.5
201.12672	1.4
203.14331	2.9
207.11871	2.9
207.13774	22.9
213.12627	1.6
215.14357	4.7
219.13750	2.2
221.15385	3.6
231.13841	1.7
233.15356	3.7
237.14748	6.7
243.13843	6.7
256.26395	4.9
261.14880	5.9
281.18918	3.9
299.20132	14.5
317.21124	100.0
318.29999	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	317.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.05490	9.8
56.74300	2.7
56.96562	5.4
57.03431	8.6
59.05001	3.6
67.05504	14.9
68.67324	3.0
69.03414	6.3
69.07090	7.0
69.18056	31.8
71.04993	6.6
79.05504	16.0
81.03423	100.0
81.07066	17.2
81.07470	2.9
83.04976	11.2
83.08628	18.5
85.02884	5.0
85.06539	5.3
86.09728	4.6
91.05482	19.6
93.07043	13.8
95.04987	27.1
95.08590	9.8
97.02887	9.5
97.06547	34.4
98.97594	7.5
102.96809	3.7
105.07018	15.0
107.04939	7.6
107.08576	13.3
109.06522	6.2
109.10130	3.6
111.04474	2.9
111.08063	10.5
116.98578	4.1
119.08564	13.6
121.06492	9.0
121.10139	8.7
122.06796	3.4
129.07013	8.7
130.06528	9.0
131.08568	11.5
133.06418	4.0
133.10146	12.4
142.07784	4.5
145.10138	6.6
145.63049	2.9
147.11687	9.4
149.09630	11.4
157.07626	7.9
157.10118	13.7
158.06021	4.7
159.11655	5.7
175.08665	10.8
175.11195	16.2
193.12256	75.1
201.13095	9.9
203.08147	13.7
211.13264	7.5
221.09143	7.0
227.12622	4.3
267.15936	44.1
273.20447	10.4
283.98929	3.4
285.16833	6.2
287.05508	4.3
317.06610	10.8
317.11200	4.4
317.14569	7.3
317.21002	4.8
317.23175	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	317.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77560	1.0
55.05511	15.7
57.03433	4.0
57.07080	15.3
59.04991	2.0
67.05486	1.5
69.03454	6.5
69.07061	1.8
69.70259	6.3
71.04993	10.6
73.06551	3.2
81.78997	1.2
83.04986	68.2
85.02895	3.1
85.06544	2.1
85.39458	1.1
91.05479	2.4
93.07021	1.6
95.08587	2.6
100.85936	1.3
101.06011	5.4
105.07064	2.3
109.10126	1.2
111.04446	100.0
112.04781	1.8
119.08608	2.4
121.10161	1.5
125.49151	1.2
129.05479	6.3
130.01773	1.0
135.11630	2.0
147.11711	2.2
155.07077	2.1
161.13239	1.5
167.06932	1.6
181.08582	18.3
181.10016	1.6
195.10207	2.7
199.09651	2.8
211.09520	1.5
237.80916	1.2
273.13269	1.6
302.96606	1.2
317.16019	2.3
317.24768	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	317.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01881	2.1
55.05509	2.3
56.05026	0.8
56.96565	1.4
57.03439	1.9
58.21608	0.4
67.05511	5.3
69.03423	2.0
69.07069	7.1
69.84011	1.8
70.06599	1.9
71.01340	0.7
71.04992	1.5
72.08157	0.7
73.02920	0.5
74.02407	0.5
77.03907	0.4
79.05495	10.7
80.05027	0.5
81.03416	2.3
81.07056	2.3
82.06596	0.7
83.04975	0.8
83.08628	0.7
84.04525	0.5
84.08148	1.8
85.02913	1.3
85.06548	0.5
86.09706	8.8
87.10033	3.7
91.05486	3.2
93.07046	1.9
95.04941	2.1
95.08623	1.2
97.02902	0.5
97.06535	90.4
97.10199	0.6
98.06057	1.8
98.06740	0.4
98.97593	1.8
99.04436	0.5
99.08075	0.7
100.07596	1.5
105.07040	1.2
106.57601	0.4
107.04954	0.8
107.08606	1.9
109.02880	1.0
109.06562	1.0
109.10179	1.8
111.08099	0.6
115.05513	0.9
116.07120	0.5
116.98631	1.0
117.07040	1.1
119.08595	1.2
120.08083	0.9
121.10171	0.8
124.07577	0.4
125.09603	0.7
125.65330	0.4
127.03914	1.2
128.07069	0.8
129.07051	0.6
129.10280	0.7
130.06532	22.8
131.08571	0.7
132.03587	0.5
132.04417	2.6
132.08026	1.1
132.10204	0.4
133.10147	1.8
134.06030	0.6
135.08037	0.8
135.11708	0.5
137.06010	0.7
137.09665	0.6
139.08557	0.5
140.04932	0.5
143.08542	0.5
144.06648	0.8
144.08087	1.1
146.06033	3.1
146.09627	0.7
148.07587	1.2
149.09666	0.7
151.07492	0.7
151.11188	1.1
153.09099	0.9
155.06041	0.5
156.08075	2.6
157.07619	44.6
157.13370	1.8
158.06024	7.7
158.08179	0.8
158.09647	1.1
158.13760	2.4
159.07993	0.6
160.07578	3.3
161.09634	0.9
168.08133	1.0
170.08188	0.7
171.08070	0.6
171.11577	0.5
172.07550	0.8
173.13220	0.5
174.09117	2.3
175.08664	5.2
177.05472	0.7
183.09178	1.3
184.07567	1.1
185.07207	2.2
185.12938	0.7
186.09198	1.3
186.13255	0.9
187.08528	0.5
188.07057	0.7
202.08626	0.6
203.08160	100.0
204.06551	0.7
204.08459	0.8
207.10219	0.5
208.09988	0.5
219.01845	0.5
221.09232	1.3
225.11470	0.9
226.12225	0.6
227.11844	0.6
235.07671	0.5
253.13330	0.7
255.15086	1.1
257.09079	0.6
271.10379	1.4
271.14355	1.1
273.12149	0.7
281.13074	0.5
287.10233	2.8
299.10309	2.5
299.13885	27.6
317.06982	1.1
317.11246	3.6
317.14926	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	317.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05514	1.3
55.25881	0.5
56.96571	1.3
57.03444	1.3
62.89648	0.5
67.05517	3.0
69.03443	1.7
69.07080	6.2
69.29981	4.8
71.04998	1.0
74.02445	0.7
79.05501	9.1
81.03434	3.7
81.07063	2.5
83.04961	0.7
83.08705	0.6
85.02895	0.6
86.09708	1.0
90.27934	0.5
91.05497	2.4
91.69508	0.5
93.07059	1.5
94.06564	1.0
95.04975	1.9
95.08622	1.4
97.06538	100.0
98.06883	0.7
98.97591	2.4
99.08111	0.6
105.07018	1.5
106.06446	0.5
107.04951	0.8
107.08615	2.1
109.06519	1.3
109.10194	1.3
112.99121	0.7
116.98615	0.8
119.08591	1.1
120.08113	0.7
121.06509	0.7
121.10154	0.9
129.07019	0.6
130.06534	30.8
131.00090	0.6
131.08549	0.7
132.04472	9.1
133.10149	1.4
137.05978	1.3
142.07776	0.7
145.10110	0.9
147.11737	0.8
147.64836	0.6
148.07559	1.4
151.07545	0.8
153.01857	2.0
157.07628	35.0
158.06024	24.3
158.99712	1.0
159.09198	1.0
161.01306	0.5
167.13815	0.5
175.08691	37.3
176.07129	0.7
177.00751	0.7
185.01241	0.9
185.07133	1.6
185.09709	0.7
185.13277	0.6
186.05464	0.9
193.12305	2.4
203.08174	59.6
204.06599	2.1
205.85263	0.5
219.01773	0.9
221.09238	20.4
223.06122	1.3
255.14871	0.7
267.15863	1.2
273.20453	0.6
274.04837	0.7
285.03976	0.6
299.13882	10.1
302.04349	2.7
317.06659	12.8
317.10532	0.9
317.14960	20.3
334.31204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01862	0.1
55.05502	0.2
56.96561	0.1
57.03439	0.1
57.28509	0.1
63.02380	0.1
65.03960	0.6
66.95431	0.1
67.05496	0.5
68.99798	0.5
69.03424	0.3
69.07056	0.3
71.53913	0.1
79.05479	0.4
81.03425	1.5
81.07067	1.0
83.05001	0.1
83.08604	0.4
85.02930	0.2
91.05487	0.5
92.02630	2.8
93.03410	2.7
93.07043	0.3
94.04198	0.1
95.01323	0.1
95.04946	0.6
95.08607	0.2
97.06544	0.7
97.10220	0.1
98.97597	0.3
102.96906	0.1
103.05472	0.1
105.07037	0.2
107.04962	0.2
107.08609	0.2
108.02116	0.2
109.02888	0.4
109.06496	0.3
109.10159	0.2
111.00809	0.3
111.08130	0.1
114.19702	0.1
115.05527	0.1
116.98615	0.1
117.07010	0.2
119.08572	0.4
120.02118	0.1
121.02879	1.9
121.06460	0.2
121.10114	0.2
122.03642	0.3
123.07983	0.1
124.01524	0.1
124.07623	0.2
124.99149	0.1
126.03137	1.0
127.03939	0.1
129.07048	0.2
130.06525	0.2
131.08492	0.1
133.02904	0.2
133.10144	0.2
137.02348	0.6
137.05954	0.4
138.05518	0.4
139.03900	1.4
144.08072	0.2
145.06496	0.2
145.08842	0.1
145.10132	0.1
146.09657	0.2
147.04459	0.1
147.11688	0.2
149.09630	0.2
150.03120	0.2
151.03908	1.4
152.01068	0.2
153.01836	16.4
155.04866	0.2
157.08946	0.2
157.10149	0.3
158.06027	0.1
161.06026	0.2
163.03857	0.2
164.03340	0.2
165.01810	1.2
166.02588	0.3
172.11235	0.3
173.05989	0.4
174.12831	0.2
175.08813	0.1
175.11089	0.2
177.05467	0.3
179.03409	0.3
183.02856	0.3
183.04390	0.3
187.03944	0.2
188.24158	0.1
189.05457	0.1
190.06267	0.2
193.12262	1.2
193.15785	0.1
200.04662	0.7
200.06709	0.1
200.10745	0.4
201.05499	1.2
202.12291	0.3
203.03415	1.4
203.08173	0.3
204.04016	0.2
211.13321	0.1
214.60924	0.1
217.04982	2.9
218.05779	1.3
218.11777	1.6
219.03021	0.5
221.09207	0.1
226.08858	0.1
228.04190	3.8
228.10205	0.7
229.04967	6.7
231.02911	0.9
232.03696	0.3
233.04407	0.2
239.03331	0.2
243.06554	0.3
245.04456	3.1
246.05263	3.2
246.11218	0.8
256.03659	0.6
256.09604	0.1
257.04462	4.3
259.02286	0.2
259.65894	0.1
260.03235	0.7
261.07635	0.4
267.15985	0.8
271.06049	0.2
271.10748	0.3
272.09308	0.2
273.03973	3.2
274.04739	6.3
284.03238	0.6
285.03955	7.0
286.04437	0.2
287.01962	0.3
288.06317	0.3
289.11880	0.6
299.10336	0.5
301.03448	0.5
302.04230	20.4
317.06570	100.0
318.06982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51538	0.3
51.11070	0.3
51.78605	0.3
55.05497	0.6
56.96554	0.8
57.07082	8.0
58.06606	0.4
60.04528	4.6
67.05499	1.4
69.07060	0.8
69.24622	1.1
69.25038	1.7
70.06598	11.2
71.08631	2.7
71.17620	0.3
81.07061	1.5
85.10174	1.3
88.07635	16.1
91.05462	0.5
91.15910	0.3
93.07012	0.7
95.04993	0.3
95.08638	1.5
96.97289	0.3
98.21576	0.7
98.97562	0.3
102.09175	3.4
105.03382	1.0
105.07054	0.4
106.08669	10.4
109.10184	0.3
111.04446	0.5
112.04801	0.3
116.48190	0.3
121.10228	0.3
133.10141	0.4
136.93106	0.4
148.63759	0.4
149.06000	0.7
154.94131	0.7
172.95226	0.9
184.42326	0.4
272.29358	0.6
280.26416	0.4
298.27536	0.8
298.31009	5.9
298.98441	0.3
310.17752	0.3
316.19513	1.5
316.32098	100.0
317.32413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03964	0.5
55.05511	4.4
56.05035	3.4
57.03434	0.6
57.07073	1.9
58.02975	0.5
60.04528	100.0
67.05511	7.3
69.07068	5.6
70.06596	1.2
70.77602	1.2
71.08640	1.2
72.04511	2.2
74.06094	1.9
79.05502	3.2
80.05027	0.9
81.07059	8.3
82.06583	1.9
83.01045	0.4
83.08624	3.9
84.08150	0.5
86.06072	0.7
90.05553	1.1
91.05502	3.2
93.07043	3.6
94.06554	0.7
95.04937	0.8
95.08613	7.6
96.08128	0.6
97.06558	0.6
97.10176	2.0
105.07053	1.2
107.08591	1.6
108.08102	0.6
109.03401	0.4
109.06573	0.6
109.10152	3.7
112.07616	0.6
119.08593	1.8
121.10150	1.9
122.09662	0.7
123.11711	1.0
125.61731	0.5
132.63358	0.5
133.10133	1.2
135.11746	1.1
137.09656	0.8
137.13263	0.8
140.00023	0.6
147.11621	0.6
159.02277	0.5
188.57370	0.6
245.22693	0.7
250.25337	1.8
262.25333	2.1
263.23682	1.1
268.26404	0.7
280.26370	13.5
298.27417	15.3
316.28476	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01873	0.5
55.05515	4.2
55.77470	0.4
56.05041	4.2
56.96569	0.5
57.03448	1.0
57.07082	3.5
58.02972	0.6
60.04528	100.0
65.03957	0.5
67.05508	7.9
68.05028	0.5
69.07074	4.9
69.31698	3.3
70.02979	0.4
70.06600	1.0
71.08641	1.1
71.67846	0.4
72.04521	2.2
73.02907	0.6
73.36228	0.3
74.06084	2.9
79.05504	3.8
80.05035	1.0
81.07055	8.1
82.06602	1.6
83.04984	0.7
83.08623	3.3
84.04462	0.4
86.06088	0.6
87.04488	1.6
90.05561	1.4
91.05489	2.3
93.07050	3.4
94.06580	0.7
95.04986	0.7
95.08607	7.1
97.06537	1.1
97.10195	1.7
98.06066	0.6
98.20795	0.8
100.07572	0.5
102.05510	0.5
105.07067	1.3
107.08591	2.6
109.10161	4.7
111.04494	0.4
111.08080	0.6
111.11686	0.6
112.07603	0.8
114.97640	0.4
119.08587	2.8
121.10179	1.8
123.08132	0.5
123.11723	0.5
133.10150	1.0
135.11708	0.9
137.09648	1.1
139.33946	0.4
149.13362	0.4
151.07591	1.2
156.35091	0.5
165.05966	0.4
174.44856	0.4
175.02786	0.5
197.11868	0.5
210.74957	0.4
212.23868	0.6
233.22772	0.4
245.22713	0.8
250.25403	1.4
256.26343	0.8
262.25302	1.4
263.23679	0.5
268.26340	0.8
280.26379	12.1
282.58148	0.4
293.14218	1.0
298.27414	12.7
316.28473	55.6
317.21078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05516	1.6
56.05030	0.3
56.96553	0.5
57.03445	0.3
58.06630	0.3
60.04529	1.9
61.02925	0.5
67.05486	0.7
69.03422	1.3
69.07069	5.6
69.93909	0.6
69.94302	0.6
70.02956	0.4
70.06595	7.6
71.79805	0.3
72.08159	22.1
73.02927	0.4
79.05492	0.6
81.03416	0.9
81.07050	1.2
82.06581	0.5
84.04506	0.9
84.08151	0.9
85.02903	3.9
86.09708	100.0
87.04452	0.3
87.05591	1.1
87.10041	0.6
90.05570	0.4
91.05483	1.8
93.05793	0.4
93.07055	0.4
95.08579	0.6
96.08138	0.8
97.02892	1.1
97.06520	0.3
98.97592	0.7
101.06059	0.2
102.05560	0.3
107.08584	0.3
108.08119	5.6
109.02853	0.5
109.06512	0.4
110.06032	0.5
114.09190	0.3
116.07098	16.7
116.98591	0.3
118.08641	0.4
119.04936	0.3
124.07591	4.5
127.03872	0.5
128.10721	1.0
129.10297	0.5
130.06506	0.7
130.36449	0.2
136.07596	3.5
137.06006	1.0
137.06993	0.2
140.75804	0.3
145.05006	0.5
147.04456	0.3
153.05423	0.4
154.08636	26.7
161.01131	0.2
165.06686	0.5
170.06316	0.3
171.14937	8.0
173.12860	7.5
173.14282	0.6
179.08690	0.3
183.08083	1.1
199.14442	5.0
199.18063	24.9
201.12370	2.3
203.13905	8.0
207.08119	0.9
217.15491	1.0
218.04140	0.3
219.01761	0.3
227.17545	13.4
237.02751	0.3
244.30646	0.3
253.08615	1.1
257.08069	0.3
270.11331	0.6
298.12094	0.4
299.09537	0.5
316.14517	9.7
316.22241	1.1
317.11960	0.7
317.15631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	Ala Leu Leu
Peak:m/z	Relative Intensity
52.80303	0.3
55.05504	0.3
56.96564	0.4
57.03427	0.4
60.04525	1.0
67.05508	0.6
67.59604	0.3
69.07049	0.7
69.81947	1.2
70.06579	0.7
74.06094	0.3
79.05503	0.6
81.07047	0.5
84.04491	0.9
84.08179	0.5
85.02908	0.7
86.09710	100.0
91.05489	1.0
93.07067	0.8
97.02931	0.4
97.06519	1.0
98.97600	0.8
102.05544	0.4
103.05452	0.4
105.07064	0.5
107.08586	0.4
112.99158	0.3
116.08319	0.3
119.04943	0.3
119.08531	0.3
121.06518	3.9
121.10160	0.4
123.08141	0.4
129.10201	0.5
130.05022	0.4
130.06531	1.6
132.08160	0.7
132.10213	5.1
135.04533	0.3
135.08113	0.3
137.05998	2.6
138.09126	1.3
146.05983	0.7
153.09016	0.3
157.07619	0.8
157.13373	53.9
158.06042	0.4
159.09215	0.5
175.08659	0.4
185.12869	28.3
185.28485	0.3
188.07091	1.2
191.59724	0.4
195.02974	1.4
196.03267	1.5
203.08255	0.6
203.13966	0.8
205.09724	0.5
236.27415	0.4
245.18631	3.8
260.11179	0.3
270.12500	0.9
270.19107	0.3
272.18658	0.6
287.10266	0.3
299.14209	0.5
316.15973	0.6
316.21835	0.5
316.25040	0.6
317.11398	0.5
317.15015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05573	2.2
56.05113	0.8
56.96365	0.7
56.96621	2.5
57.03217	0.7
57.03494	2.0
57.31939	0.8
60.04572	1.2
62.06142	1.9
66.32074	0.8
67.05569	4.6
68.65157	0.6
69.03492	1.9
69.06797	0.8
69.07134	2.6
70.03001	1.2
70.06654	2.2
70.58523	0.8
71.05024	1.3
71.08275	0.8
71.08636	14.9
71.53937	0.9
72.08218	2.8
72.18867	0.8
81.03458	0.8
81.07063	4.3
83.08677	0.9
84.04525	3.5
84.08208	1.9
85.02916	9.7
86.06080	6.1
86.09709	9.1
87.04516	1.0
91.05061	0.8
91.05564	2.6
93.07047	6.3
95.05004	1.0
95.08613	22.1
96.00942	0.8
96.08199	3.2
97.02956	1.5
97.06540	4.6
97.08971	0.9
97.10201	1.0
98.09682	6.3
98.97660	3.1
99.08111	5.5
100.07683	1.3
101.06067	0.8
105.07101	1.2
107.08612	1.5
108.08184	2.8
109.10240	2.2
110.09760	3.2
111.08160	1.4
115.37514	0.8
116.10742	27.3
116.98667	1.3
119.08636	2.8
121.06516	8.3
121.10223	1.5
122.09659	5.9
123.08118	1.4
124.99133	1.3
128.98683	0.9
130.06599	1.0
133.10211	1.0
135.11781	1.1
136.11252	1.8
137.06114	0.8
137.09674	1.5
140.10733	1.5
142.12340	2.6
143.00183	2.1
143.10698	23.6
143.11824	3.9
146.11746	5.3
151.11153	0.9
152.14383	2.0
154.12335	0.8
154.15942	0.8
157.07700	1.0
158.99799	0.9
161.01244	1.1
163.03894	1.0
164.10721	0.8
166.15895	0.7
166.63876	0.7
171.11333	1.2
176.15279	0.8
182.11798	3.9
185.01204	0.9
191.14331	1.2
196.16995	3.1
200.12836	100.0
214.18040	43.3
215.07173	1.1
218.13878	14.2
219.01700	1.0
236.05156	0.8
245.05803	0.8
249.02745	1.9
254.06192	0.9
259.09695	3.9
267.03787	1.1
272.20242	6.2
298.16852	1.0
298.20184	13.3
308.93463	0.8
316.21082	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78734	0.5
53.65428	0.5
55.01880	0.8
55.05509	1.1
55.84354	0.4
56.05030	0.6
56.96552	0.8
57.03438	1.2
60.04520	1.6
61.02925	1.1
64.74812	0.4
67.05504	1.1
69.03433	5.2
69.07072	3.3
70.02932	0.4
70.06599	7.8
71.05000	0.9
71.52176	0.9
72.08163	9.8
73.02923	1.2
74.06067	0.7
79.05492	1.5
81.03419	2.6
81.07072	2.9
81.07457	0.4
82.06574	2.0
84.04500	2.0
84.08154	3.2
85.02915	9.1
86.09713	48.7
87.04478	1.0
87.05598	1.2
91.03947	0.7
91.05495	4.1
93.05795	1.3
93.07027	1.7
94.06586	1.1
95.04962	0.9
95.08616	0.6
96.08142	3.9
97.02894	4.0
98.06802	0.4
98.97585	1.8
99.04472	0.7
102.05505	0.5
105.03436	0.4
107.04961	0.5
108.08125	17.5
109.02884	0.7
109.06522	0.9
110.06040	0.9
110.97536	0.5
113.43981	0.5
116.07100	14.0
118.06553	0.6
120.08116	0.5
123.06827	1.2
124.06723	0.9
124.07607	15.8
124.08509	0.9
127.03905	1.7
128.10710	0.8
129.10243	1.7
130.06540	0.8
132.08104	0.5
135.83904	0.5
136.07588	11.5
137.05980	1.7
138.09169	0.7
141.10283	0.5
143.01808	0.5
145.04893	0.9
154.08641	100.0
163.04068	0.5
166.08626	1.5
170.06342	0.5
171.14948	3.2
173.12886	6.3
178.08614	0.6
179.08569	0.5
183.08051	0.5
184.07388	1.1
188.07094	1.0
195.06580	0.5
196.09575	0.6
199.14412	1.9
199.18057	11.5
201.12328	1.8
203.13936	2.7
207.08148	0.7
227.17593	6.3
235.07649	0.6
250.58049	0.5
253.08571	0.9
257.08115	0.6
260.10965	0.5
270.11215	0.7
275.61044	0.5
282.92484	0.4
292.99774	0.6
316.14511	4.2
316.17789	0.9
316.21078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10841	0.5
52.09960	0.5
55.01861	0.6
55.05508	1.7
56.96570	1.6
57.03445	1.0
60.04536	2.8
61.01123	0.6
61.02932	1.1
62.13166	0.5
67.05506	1.4
69.03436	4.2
69.07075	6.4
70.06597	9.9
71.04999	0.9
71.52536	1.1
72.07764	0.6
72.08163	12.4
73.02927	1.0
76.02148	0.5
79.05494	1.6
79.21763	0.6
81.03416	2.5
81.07063	2.4
82.06568	1.2
83.04987	0.8
84.04503	2.7
84.08163	4.3
85.02925	6.4
86.09712	100.0
87.05600	0.9
88.04023	0.6
91.05484	3.1
92.05803	0.8
93.05816	0.6
93.07044	2.1
94.06573	1.0
95.04980	0.7
95.08025	0.6
95.08656	0.7
96.08135	6.1
97.02879	3.9
98.97594	2.6
99.04466	1.1
102.05492	0.7
104.07103	0.9
107.04957	0.7
107.08612	0.6
108.08131	10.1
109.02898	1.0
109.06522	1.7
110.06077	2.5
116.07105	18.0
116.98717	0.8
120.08135	0.7
124.07597	13.0
126.09133	0.6
127.03953	1.1
128.10768	1.1
128.98608	0.7
129.10239	1.9
130.06537	0.8
136.06247	1.9
136.07600	9.9
137.05968	3.4
138.04573	0.6
138.06348	1.3
145.04921	0.6
154.08641	74.6
158.99715	0.7
159.92612	0.5
160.07582	0.7
163.03917	1.5
166.08693	0.9
171.00018	0.6
171.14919	3.9
172.06723	0.6
173.12860	7.5
179.08528	0.7
187.14496	0.7
196.09792	0.8
199.14456	2.9
199.18083	28.4
201.12364	3.2
203.13910	5.6
207.08086	0.9
219.01810	1.0
224.49542	0.6
227.17534	13.1
237.02910	0.8
247.94167	0.7
253.08713	1.2
266.09149	0.7
270.11285	1.2
274.98868	1.3
299.09595	0.9
316.05460	0.6
316.14786	4.0
316.22256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81993	0.2
53.03934	0.3
55.05506	1.7
56.05033	0.5
57.03430	0.3
60.04511	1.0
61.02938	0.3
67.05502	0.8
69.03418	0.6
69.07057	0.4
69.87658	0.6
69.88046	0.7
70.06590	0.8
72.08171	1.4
76.01389	0.2
79.05500	1.0
81.03436	1.7
81.07067	2.5
82.06583	0.3
83.04964	0.7
83.05423	0.2
83.08615	1.0
84.04534	0.3
84.08135	0.7
85.02916	0.4
86.09702	2.1
87.18616	0.2
88.03986	0.4
91.05482	0.9
93.05783	0.4
93.07053	1.0
95.04951	0.9
95.08605	0.6
96.04451	0.3
97.02920	0.4
97.05267	0.4
97.06544	0.5
98.06046	0.7
98.09681	0.3
98.20850	0.3
98.97587	0.7
104.07064	0.4
105.07038	0.6
106.05029	2.7
107.08575	0.6
108.08120	0.7
109.06515	1.7
110.06025	1.0
111.06837	0.5
111.08102	0.5
116.03480	0.4
116.06342	0.2
116.98639	0.4
117.06946	0.2
119.08612	0.3
120.08002	0.2
121.10162	0.3
123.08118	0.4
123.11714	0.2
124.07619	0.3
125.08367	0.3
125.09649	0.4
126.09164	1.2
129.06999	0.3
129.10257	0.4
131.08611	0.3
133.10153	0.6
139.06308	1.0
149.09608	0.8
154.08638	100.0
155.08954	0.4
157.10052	0.3
168.06618	0.3
169.12425	0.3
175.11214	0.5
177.09172	0.8
185.16527	0.7
193.12314	1.4
195.10216	1.5
207.08026	0.3
208.13365	1.0
211.13313	3.5
213.16040	0.3
226.14445	1.3
244.15341	0.4
249.72633	0.4
254.13963	0.6
270.11456	1.0
272.14969	1.6
293.09286	0.4
298.16541	0.4
298.20071	0.6
299.09448	0.5
316.12070	2.7
316.17581	1.0
316.21127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30397	0.4
54.65704	0.4
55.01888	1.1
55.05540	1.4
56.45870	0.4
56.96584	1.5
60.04542	1.0
61.02943	0.9
61.36514	0.4
67.05532	1.1
67.42974	0.4
69.03447	1.2
69.07095	1.4
70.02973	0.5
70.06589	2.5
70.19206	1.0
70.19588	1.0
71.05018	0.5
72.08180	1.9
73.02922	0.5
74.06104	0.5
79.05474	0.9
81.03429	2.0
81.07089	1.5
83.05006	0.7
83.08665	0.7
84.04550	1.2
84.08135	2.2
85.02927	1.8
85.06590	0.5
86.09711	4.2
87.27674	0.4
88.04040	0.6
91.05484	8.1
91.06017	0.6
93.07061	0.9
95.04996	1.9
95.08639	0.9
97.02900	1.0
97.06530	0.9
98.97584	4.1
105.07069	0.8
106.05065	1.2
107.04980	1.0
107.08605	0.7
109.10186	0.4
110.06065	0.6
110.97582	0.7
116.98660	0.6
119.05070	0.6
119.07372	1.3
119.68558	0.5
120.08118	1.0
123.08040	0.4
128.98645	0.7
129.10284	0.6
130.06534	0.9
130.08652	0.9
131.06929	0.6
131.08578	0.7
137.05977	0.7
141.07025	0.4
141.10168	0.6
147.04446	1.1
153.05505	0.7
154.05827	0.7
154.08675	1.0
155.08620	2.0
157.10217	0.4
158.99667	1.6
165.06998	4.7
166.07811	0.6
169.09776	0.6
177.00723	1.4
178.07730	6.3
179.08560	44.5
181.06468	2.7
182.07210	0.5
183.08061	41.4
189.06996	1.6
190.07767	0.6
191.08644	0.9
193.07503	0.6
193.09003	0.7
193.12267	0.8
194.07286	2.0
195.08096	2.3
197.09590	0.9
203.03954	0.6
205.06802	0.4
206.06920	0.5
206.09663	3.9
207.08054	63.9
208.08766	2.1
208.13324	1.2
209.09837	2.0
211.02336	1.3
211.07573	4.7
211.09560	0.6
211.13342	2.2
217.06487	0.4
219.01794	2.5
224.10710	14.6
225.09061	2.4
226.14343	1.2
231.25935	0.4
235.07535	9.0
235.09787	0.9
237.02711	0.7
239.07048	5.0
252.10219	1.3
253.08609	49.3
257.08099	33.3
257.10202	0.5
257.10941	0.5
270.11249	100.0
271.11649	0.9
272.15012	1.3
281.07990	2.8
294.10956	0.6
298.10809	1.0
298.13870	0.8
299.09158	14.6
316.11658	20.8
316.17587	0.8
317.11569	1.0
317.15417	0.8
327.07599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.4
55.01874	21.9
55.05238	2.7
55.05510	44.5
56.96572	3.4
57.03445	33.9
57.07078	3.3
59.04993	7.0
61.02939	15.5
65.03928	3.4
67.05523	22.1
69.03436	38.5
69.07072	21.0
69.56224	15.4
70.06585	10.3
71.01337	9.8
71.04998	61.4
71.46224	2.3
72.08152	3.8
73.02921	23.8
79.05085	2.4
79.05501	29.7
81.03429	17.1
81.07062	46.0
83.04991	13.5
83.08615	4.6
84.08153	7.5
84.29169	2.3
85.02907	70.0
85.06538	4.4
86.09709	8.7
87.04460	5.3
88.41206	2.2
89.05981	2.4
91.05491	38.9
93.06482	4.6
93.07045	69.1
95.04994	20.0
95.08615	40.8
97.02892	22.5
97.06539	16.5
98.97610	5.3
99.04466	6.3
99.08091	3.1
101.02390	3.1
103.03940	12.6
103.05472	3.2
105.04497	3.7
105.07038	67.9
107.04966	10.7
107.08596	81.6
109.02882	7.2
109.06520	41.2
109.10157	23.1
110.97547	2.7
111.04445	10.0
111.08076	9.5
115.03925	19.3
115.05424	2.5
116.06223	3.5
116.07041	2.6
116.98624	3.1
117.07027	20.3
118.06555	2.3
119.07282	4.4
119.08590	64.1
121.06508	12.4
121.10124	12.6
123.04390	3.3
123.08064	39.9
123.11687	5.7
125.09627	4.1
125.13203	3.3
127.03905	9.0
127.11225	6.6
128.06244	8.7
129.05464	8.3
129.06995	10.0
130.06534	9.4
130.07790	7.7
131.03473	2.5
131.08583	30.6
133.04984	38.0
133.06454	11.5
133.10165	15.3
135.04372	2.4
135.08064	10.7
135.11708	35.2
137.05969	3.2
137.09637	12.3
137.13245	3.3
139.11211	2.9
141.09084	10.2
143.00172	2.6
143.08580	19.0
145.04990	6.7
145.06526	6.4
145.10141	30.0
147.08054	37.4
147.11667	14.7
149.00557	7.0
149.06010	2.8
149.09665	15.1
150.00906	4.7
151.07556	8.0
151.11186	10.3
153.05478	3.9
153.12721	22.2
155.08534	7.6
157.10152	3.8
159.08083	13.7
159.11670	14.4
161.09630	8.0
161.13263	4.9
163.03957	2.6
163.07587	3.8
163.11208	13.9
165.09105	4.3
165.12767	100.0
170.08159	3.3
171.08063	6.3
171.11652	6.9
173.09657	33.1
173.13161	11.0
175.07561	8.0
175.11159	8.2
177.12769	28.7
179.10674	3.3
183.08038	3.9
183.11722	5.5
185.13213	2.8
187.07495	2.3
187.11171	5.6
189.12770	21.2
191.10629	12.7
193.12257	4.6
194.00050	4.8
195.00618	4.5
195.13783	5.4
197.13191	2.9
201.12740	9.7
207.08080	5.2
207.13849	11.2
209.02719	6.5
210.02985	19.5
211.09692	5.9
213.12698	3.5
215.14439	4.4
219.13803	20.8
231.13792	9.6
237.14961	3.7
243.13898	10.9
249.59767	2.3
256.98892	2.7
261.14841	21.0
270.11221	4.7
279.15924	18.1
297.12561	2.0
297.13754	2.6
297.16824	18.7
315.04614	4.6
315.10510	4.0
315.13760	28.3
315.18130	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.2
56.88882	0.8
56.96568	0.9
57.07078	100.0
69.03413	1.8
70.27736	2.5
76.74355	0.8
82.59589	0.7
83.04987	11.5
84.77214	0.8
85.06542	13.3
93.07040	1.1
98.97603	2.0
100.17656	0.8
111.04446	69.1
131.08591	0.9
145.10089	0.9
172.90610	0.9
177.05336	0.9
195.10158	10.0
213.11249	1.8
315.07788	2.1
315.14169	1.0
315.18787	3.5
315.22803	1.2
315.34494	8.2
332.93756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71276	0.6
55.05510	3.8
56.42900	0.6
57.07079	100.0
69.03439	2.1
69.80688	1.2
69.81091	2.3
83.04985	12.2
85.06549	14.8
85.65298	0.6
106.16824	0.6
111.04449	70.1
118.01637	0.6
119.25548	0.6
170.13518	0.6
195.10202	10.9
213.11392	2.0
228.33275	0.7
277.61252	0.7
315.14322	0.7
315.18411	2.1
315.27896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.6
55.05511	2.8
57.07081	100.0
69.03437	1.7
70.91988	0.6
70.92313	0.8
81.07075	0.7
83.04989	10.6
85.06551	14.6
105.07082	0.6
111.04450	65.9
112.04774	0.6
125.04357	0.6
129.05504	0.7
132.50441	0.5
170.16971	0.5
171.10164	0.8
195.10184	11.0
213.11128	2.5
315.18008	3.2
315.26642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
54.86180	2.3
55.01870	6.4
55.05524	14.6
56.96571	2.5
57.03439	29.4
57.72628	2.5
59.04997	2.6
61.02920	7.4
64.99963	2.7
67.05493	10.0
69.03429	18.2
69.07063	10.3
70.06576	3.0
70.76070	5.9
71.01371	4.8
71.04996	7.9
73.02903	7.3
78.89706	2.6
79.05497	24.2
81.03422	14.1
81.07063	46.9
83.04979	7.4
84.04520	6.5
85.02911	57.6
85.06536	5.2
86.09709	3.3
87.04438	4.7
89.03895	4.3
91.05485	34.4
92.05804	2.7
93.07051	100.0
94.07381	6.6
95.04974	11.8
95.08619	32.5
97.02882	14.3
97.06519	5.7
99.04428	8.3
99.08057	6.1
103.03947	6.3
103.05473	9.4
104.05807	6.5
105.03394	3.5
105.07034	29.5
107.04975	3.8
107.08602	94.1
109.02898	5.4
109.06499	10.5
109.10166	9.0
111.04441	3.6
114.14680	2.7
115.03939	5.1
117.03363	11.7
117.06994	5.8
118.03715	8.4
119.08599	17.9
120.08115	20.9
121.06506	41.9
121.08440	12.2
121.10120	12.0
122.06843	26.4
122.08724	3.5
123.04459	5.9
123.08087	5.6
125.09637	3.9
127.03908	10.4
129.07036	4.7
130.06528	3.8
131.08545	13.1
132.08089	4.7
133.04950	7.4
133.06535	5.0
133.10143	12.2
135.08069	6.9
135.11693	79.8
136.66574	2.8
137.09598	3.3
137.13243	5.0
142.07823	3.4
143.08591	6.0
144.08098	8.6
145.02864	31.8
145.04959	7.2
145.10146	13.3
146.03189	32.5
146.05991	4.4
147.08008	8.2
147.11757	12.4
149.06015	4.2
150.06357	3.7
151.11179	6.8
153.12776	31.5
157.10138	6.6
158.06032	3.3
158.59572	2.6
159.11740	8.7
163.06032	3.3
163.11172	10.1
165.12778	31.3
169.07651	20.8
171.11646	3.0
172.07623	4.4
173.09598	3.6
177.05481	54.9
177.12724	8.9
178.05811	60.8
181.12117	3.3
183.17827	2.9
189.12755	5.2
191.10631	3.0
193.12360	5.5
195.02884	6.5
197.10822	6.5
201.12816	4.7
213.10168	12.5
215.11967	4.5
219.13765	4.7
231.13762	7.9
232.25600	2.8
241.09698	23.9
243.13803	7.0
249.14774	4.5
259.10809	51.7
261.14960	15.3
269.12811	3.6
279.15973	13.3
297.16751	13.6
315.04956	2.9
315.13669	96.9
315.18008	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12481	0.4
50.50158	0.4
53.96592	0.4
55.05516	3.3
57.07079	100.0
58.07396	0.6
61.33321	0.4
62.26284	0.5
63.33867	0.4
69.03420	1.6
69.82786	2.8
72.40509	0.4
81.46778	0.5
83.04985	9.0
85.06550	15.2
90.90280	0.5
95.08560	0.6
97.89147	0.4
103.46104	0.5
104.13743	0.4
105.07018	0.5
111.04448	65.8
129.05486	1.3
195.10181	10.3
213.11194	1.9
289.42874	0.5
315.17883	2.5
315.23270	0.6
315.26746	0.8
327.15524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01894	0.3
55.05506	0.7
55.75969	0.4
56.19691	0.3
56.96564	1.1
57.03436	1.3
66.77052	0.4
67.05517	1.9
69.03436	1.2
69.07076	0.8
70.02486	1.7
70.06593	2.1
72.08173	1.7
79.05489	1.2
81.03426	0.8
81.07050	1.6
83.04999	0.7
83.06111	1.6
83.69982	0.4
84.04505	0.4
84.08144	1.2
85.02916	3.0
86.09711	3.6
87.04440	0.5
91.05499	2.6
93.07053	0.4
95.04981	1.0
95.08624	3.4
97.02910	0.9
97.06533	1.6
98.97587	2.1
105.03427	0.5
105.06982	0.5
108.08134	0.5
109.06512	0.6
110.97580	0.4
111.04433	0.6
112.99159	0.4
116.07099	1.0
116.98629	0.7
118.06546	0.4
123.08076	1.9
127.03913	0.7
129.10281	1.0
130.06546	0.4
131.04939	0.8
134.06079	0.5
135.04410	1.3
135.06386	0.4
135.09174	0.5
136.07573	0.8
137.05968	4.8
141.09099	1.9
145.02898	0.5
146.05978	0.5
151.03976	0.4
151.07613	0.4
153.05478	8.1
153.10280	0.7
154.08690	1.8
158.99648	0.7
161.05965	0.5
163.03928	4.1
169.07603	0.5
171.08420	0.5
185.07132	0.6
205.06393	0.6
219.01749	0.8
222.06776	0.6
223.07722	0.5
224.55853	0.4
237.02872	0.4
241.09862	0.6
255.10237	0.4
259.10791	1.0
263.04303	0.5
265.08521	0.5
269.13068	0.5
281.05435	1.0
285.11078	0.5
297.18921	1.2
315.14166	100.0
316.14496	0.5
333.08826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23612	0.6
53.86456	0.6
55.05504	1.9
56.05024	1.1
56.96563	2.3
67.05489	1.0
68.05019	0.7
69.03421	1.2
69.07063	1.2
69.59582	2.3
69.59991	1.3
70.06593	5.5
71.04967	0.9
72.08153	2.0
73.02893	0.7
79.05478	0.9
80.82818	0.6
81.03420	0.9
81.07072	0.8
83.06087	2.0
83.08599	1.0
84.04516	1.2
84.08144	2.8
85.02900	2.5
86.09715	3.5
91.05463	1.7
93.07027	1.0
95.04974	1.6
95.08604	2.3
97.02869	0.9
97.06525	1.3
98.97559	3.4
105.03417	1.7
105.07006	0.9
107.04944	0.8
110.07158	0.7
111.04403	0.8
112.99197	0.6
113.06055	0.6
116.07104	1.0
116.98621	1.8
121.02879	0.7
121.06488	0.8
123.04447	0.7
123.08111	1.1
127.03896	1.0
127.72992	0.6
129.10228	1.3
130.06525	0.9
131.08559	1.0
135.08015	0.8
135.09123	0.7
137.06001	1.0
141.09085	1.2
142.08665	0.8
147.04378	0.7
153.05429	0.7
153.10135	0.8
159.03265	0.8
161.05980	0.8
163.03900	2.4
170.08154	1.0
171.08467	1.3
177.00732	1.0
198.08977	0.9
203.02235	0.8
207.08067	1.0
219.01755	1.4
237.02719	1.0
252.10286	1.5
297.12454	0.8
297.18631	0.8
315.07907	3.1
315.14145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53212	0.2
55.01870	0.2
55.05500	0.6
56.96560	0.3
57.07079	8.3
58.06594	1.4
60.04512	0.4
62.06091	2.8
65.88971	0.2
67.05495	0.2
69.07061	0.5
71.08241	0.2
71.08630	3.6
71.36973	0.2
72.08150	1.3
81.07076	0.3
83.04958	0.5
83.08597	0.2
85.10197	1.1
86.09695	0.3
98.97582	0.2
100.07578	0.2
111.04447	0.6
112.04778	0.4
121.06492	0.2
143.97014	0.2
156.17490	1.9
170.19078	0.4
172.16977	0.3
174.18544	5.2
184.20653	1.3
202.21661	4.7
246.50803	0.2
248.85852	0.2
260.81683	0.2
263.45834	0.2
270.31665	0.2
273.11319	0.2
282.14807	0.4
291.12595	0.7
296.29553	0.9
296.33148	1.1
298.10797	0.5
314.13968	0.8
314.34161	100.0
315.34598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1388
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02373	0.4
52.40216	0.3
53.03946	1.8
55.01852	0.4
56.96558	0.5
63.02386	0.4
69.80662	1.1
77.03925	0.5
78.04704	0.4
79.05475	0.4
89.03915	4.5
91.05484	7.7
93.07045	11.6
95.04978	2.1
103.04798	0.5
103.05470	9.0
103.06148	0.5
103.60566	0.3
105.04510	0.8
117.03381	18.6
119.04909	0.4
121.06506	57.5
134.03642	1.0
135.04405	0.6
136.05170	0.3
145.02846	52.3
147.04378	0.5
149.05981	5.2
151.07533	0.6
163.03917	0.6
177.05472	100.0
178.05855	0.7
186.05515	1.0
194.08125	1.1
198.11278	0.8
214.10281	0.3
216.12306	0.4
302.09222	0.5
314.13855	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
53.03945	1.8
54.42202	0.3
70.06581	0.7
70.97588	0.7
75.64816	0.3
77.03927	0.4
80.38986	0.3
89.03916	4.1
91.05484	6.8
93.07050	11.5
95.04989	1.5
101.79736	0.3
103.05474	9.1
105.04525	1.0
106.04140	0.5
107.08599	0.4
117.02531	0.6
117.03387	18.5
120.08112	13.1
121.06510	53.4
121.08421	10.4
122.06869	0.4
134.03625	0.9
135.04417	0.9
136.05222	0.4
145.02850	50.2
147.04356	0.3
149.05980	6.3
151.07529	0.5
162.03143	0.4
163.03896	0.5
166.08691	0.6
170.08105	0.6
177.05473	100.0
186.05522	0.5
194.08084	0.9
229.50987	0.4
290.41891	0.4
301.50592	0.3
314.13852	37.4
315.14084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51423	0.4
53.03942	0.6
53.54686	0.4
55.05513	11.4
57.03440	14.7
57.03712	0.8
57.07078	59.2
67.05506	9.3
69.07068	8.5
69.82047	2.2
71.08633	29.2
75.04498	0.7
76.55796	0.4
77.31033	0.4
79.05476	1.1
81.07057	10.9
83.04986	13.3
83.08622	10.8
85.06563	1.8
85.10185	17.6
87.04481	0.5
89.06033	3.3
91.05479	0.9
93.07057	1.4
95.08610	16.5
97.10180	5.1
99.08161	0.4
99.11738	1.0
103.07585	2.5
107.08633	0.5
109.10168	8.0
111.04446	10.4
111.11707	1.0
123.11720	4.0
125.13274	0.8
135.11673	0.5
137.13286	1.7
139.14589	0.4
145.20758	0.5
151.14836	0.6
195.10173	2.3
221.10944	0.4
239.23721	3.7
257.24774	5.2
261.79480	0.5
313.27368	100.0
314.27847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.03944	1.9
54.15465	0.8
55.01873	2.0
55.05515	14.7
56.96563	1.3
57.03422	2.4
57.07079	15.3
58.94951	0.8
62.06072	1.1
67.05508	14.3
69.03444	1.0
69.07072	8.4
69.75995	0.8
70.09671	1.2
70.10074	2.3
71.04991	2.0
71.08636	1.3
78.88199	0.8
79.05496	8.8
81.03419	7.4
81.07053	15.8
83.04986	22.6
83.08630	6.2
85.02913	1.1
85.06544	2.9
85.10185	10.5
85.63876	0.7
89.07310	0.8
91.05495	6.8
93.07043	10.1
95.04968	9.3
95.08617	7.9
97.06537	3.8
97.10161	4.0
98.21458	1.2
98.97569	0.8
101.06043	1.0
105.07053	8.6
107.04946	1.6
107.08594	9.5
109.06527	3.1
109.10155	8.3
111.04449	12.6
111.08054	1.1
113.09664	8.3
119.08583	4.7
121.06500	1.9
121.10142	3.8
123.08064	2.0
123.11671	1.5
125.09614	1.8
129.06990	1.2
131.08585	2.6
133.10143	5.1
135.08043	1.3
135.11679	1.0
136.93089	1.8
143.08508	1.1
145.10147	1.8
147.11678	3.5
149.09641	2.5
151.11246	4.4
153.58891	0.9
154.94243	1.4
156.09302	1.1
157.10147	1.6
159.11765	1.1
161.13275	1.5
165.12776	11.3
169.12283	1.9
171.11711	1.3
172.95177	1.1
175.14807	2.2
179.14322	3.0
182.18057	0.8
185.13271	1.0
186.56953	0.8
191.14201	0.9
195.10233	1.3
197.13319	1.0
207.13768	1.2
211.14836	1.1
249.22191	1.8
259.20660	1.8
268.26361	2.6
277.21652	28.1
295.22699	100.0
296.22940	1.3
304.89337	1.0
313.17987	1.3
313.21542	3.6
313.27408	1.8
313.32278	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	313.2374
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
52.93063	0.6
53.03947	1.7
55.05280	0.7
55.05517	11.5
56.96551	0.8
57.03439	1.6
57.07079	10.5
67.05510	14.8
69.07070	8.8
70.42010	2.1
70.42355	0.8
71.04979	2.2
71.08614	1.4
79.05495	8.6
81.03416	5.5
81.07056	13.9
83.04989	9.8
83.08633	4.5
85.02896	1.0
85.06536	1.5
85.10178	9.1
87.40304	0.7
91.05488	6.8
92.73609	0.7
93.07051	9.3
95.04972	9.2
95.08614	7.7
97.06525	3.3
97.10175	3.9
105.07043	6.1
107.04966	1.4
107.08601	7.9
109.06541	3.5
109.10165	9.1
111.04450	5.5
111.08092	1.6
113.09645	6.4
117.07027	1.0
118.37385	0.6
119.08589	3.6
119.11594	0.7
121.10149	4.9
123.08093	1.8
123.11695	2.0
125.09608	1.5
131.08548	2.2
133.10147	7.4
135.08076	1.7
135.11668	1.8
137.09650	0.9
140.43764	0.7
142.07678	0.7
142.26715	0.8
145.10133	2.0
147.11710	3.3
149.09608	2.7
149.13269	1.4
151.11206	4.3
154.94156	1.3
155.08519	0.8
157.10193	1.3
159.11726	1.0
161.13322	1.5
163.11153	0.9
165.12762	14.5
168.99318	0.7
171.11620	1.4
172.95190	1.1
173.13223	0.8
175.11168	1.1
175.14876	1.3
179.14305	2.4
185.13185	1.1
189.11269	0.9
193.15877	0.8
195.10213	1.0
207.13858	1.6
229.90825	0.7
277.21637	29.1
295.22708	100.0
296.23203	0.9
301.64142	1.6
313.21628	2.3
313.32095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03939	7.1
55.01875	37.3
55.05512	100.0
56.96543	4.8
57.07082	82.2
59.04990	5.3
61.54595	3.9
65.22277	4.7
67.05183	7.4
67.05508	93.4
69.03416	17.6
69.06734	5.7
69.07077	75.9
69.86140	8.9
69.86536	10.5
71.04998	12.3
71.08612	11.9
79.05497	70.7
81.03404	19.4
81.07059	98.5
82.40058	5.0
83.04987	98.6
83.08627	33.2
85.06534	20.1
91.05487	49.0
93.07043	94.2
95.04977	34.1
95.08611	72.4
97.06528	27.0
97.10168	37.7
98.19693	4.0
98.21426	5.4
99.08077	6.8
105.07046	44.4
107.08587	58.4
109.06523	13.6
109.10157	55.3
111.04441	68.4
111.08097	5.4
111.11714	4.6
113.09576	5.7
117.06967	7.2
119.08588	48.4
121.06506	17.9
121.10142	44.9
123.08081	28.0
123.11680	14.8
123.56112	4.4
125.09586	21.9
128.06216	6.2
129.07033	7.8
131.08533	19.9
133.10141	41.4
135.08063	6.8
135.11693	23.4
137.09634	24.2
139.11185	63.3
142.07768	10.4
143.08557	20.3
145.10107	39.2
147.08084	5.4
147.11664	16.3
149.05957	32.4
149.09679	6.1
149.13281	7.9
150.06337	7.0
151.07524	5.0
151.11172	12.6
153.12694	5.6
154.58469	4.8
155.08513	7.0
156.09297	9.3
157.10124	20.5
159.11710	15.3
160.38475	4.9
161.09616	4.4
161.13249	13.5
165.12781	5.5
167.08633	7.4
167.14342	7.2
169.10104	10.0
171.11668	23.3
173.09708	5.8
173.11702	13.0
173.13260	30.0
175.11133	6.3
175.14746	14.5
179.14311	7.1
181.10126	8.1
183.11713	10.4
185.13245	13.8
187.14799	7.1
189.11220	18.0
191.08658	5.0
195.10098	8.8
195.11732	5.6
195.27237	4.6
197.13249	14.9
199.14786	15.5
207.11664	5.9
209.13269	16.3
211.14835	13.7
227.14449	5.8
233.13249	4.8
249.22125	15.9
259.20486	14.4
277.21649	94.8
295.22894	92.2
313.17609	17.3
313.21558	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	36.4
57.07080	77.5
60.45050	1.2
69.03436	3.2
71.25775	1.1
71.29306	2.3
73.57318	1.3
83.04986	100.0
85.06537	9.5
96.41480	1.1
101.05987	1.4
101.34743	1.2
111.04445	78.0
195.10196	18.3
213.11107	2.2
276.65674	1.5
313.16486	9.6
313.27838	1.5
328.53430	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
56.96567	0.6
57.07064	1.5
67.05494	1.2
69.07040	0.7
69.77494	3.8
75.98058	0.5
79.05503	0.8
79.67817	0.6
81.07042	1.7
83.04974	1.9
89.47920	0.6
91.05485	1.6
93.07038	2.3
95.08610	1.2
97.06522	2.4
98.97572	0.7
105.07012	1.4
107.08585	1.9
111.04433	1.6
119.08575	1.6
121.06505	0.9
121.10075	0.6
123.08071	0.6
131.08557	0.7
133.10091	1.6
145.10196	0.6
173.13252	0.8
200.63562	0.6
209.11504	100.0
239.69452	0.6
241.12102	0.7
255.12537	0.6
257.12192	0.7
295.15277	1.0
313.16241	7.5
313.21558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1547
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03932	0.3
67.65381	0.1
69.41798	0.1
70.06593	0.1
70.76518	0.4
72.08158	0.2
79.05488	0.4
81.07073	0.2
86.09730	0.2
91.05453	0.8
93.07049	2.0
95.04988	0.3
103.05471	5.8
103.06160	0.3
105.07040	0.7
107.04945	0.2
109.02880	0.1
117.03394	0.4
117.58401	0.1
120.08109	100.0
121.06509	1.6
121.08453	0.4
131.04941	0.3
133.06464	0.3
144.17847	0.1
145.02844	1.4
146.05939	0.2
151.03943	0.5
166.07230	0.2
166.08646	5.2
177.05487	2.5
267.14926	0.7
271.72528	0.1
281.14584	0.2
313.15475	3.8
314.13943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.7
67.05507	0.3
71.34456	0.3
83.04978	0.6
85.02885	0.2
89.20242	0.2
93.03410	0.3
95.04959	1.2
103.72952	0.2
111.04460	2.0
117.22590	0.2
121.02878	100.0
122.03212	0.2
129.05502	0.5
139.03922	1.6
143.00146	0.2
151.03862	0.4
152.25786	0.2
157.04999	0.2
176.33392	0.2
249.03114	0.2
267.03979	0.2
272.64163	0.3
295.08170	0.5
313.09241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1281
Annotation	Manglieside A
Peak:m/z	Relative Intensity
53.03935	8.6
53.87913	2.0
55.01867	8.1
55.05514	38.8
56.96551	3.3
57.03436	30.2
57.07074	2.3
58.41364	2.0
65.03960	2.8
67.05506	23.0
69.03435	69.8
69.07073	24.1
70.82025	2.5
70.82361	5.2
71.05002	15.1
73.02918	4.4
79.05492	17.9
81.03425	52.3
81.07066	34.0
81.76252	2.3
82.04206	20.3
83.04990	43.5
83.08643	18.5
85.02909	31.8
87.00804	3.1
91.05473	21.5
93.07049	33.3
95.01349	2.7
95.04964	12.7
95.08617	33.6
97.02901	18.9
97.06534	11.8
98.97588	15.0
99.04459	6.1
99.08078	6.2
103.05466	2.9
105.07037	13.4
107.04957	7.1
107.08599	10.4
109.02850	3.2
109.06511	8.5
109.10161	2.4
111.04443	13.6
111.08085	96.4
113.09650	10.2
115.03957	2.9
117.07013	9.3
119.08559	4.2
120.08131	3.9
121.06506	11.8
121.10141	3.3
123.04477	2.8
123.08042	12.6
127.03922	5.3
127.07583	10.7
133.06487	2.7
133.10121	2.7
135.08067	18.9
136.68318	2.6
139.07550	100.0
140.21689	2.2
141.09103	53.2
145.10184	5.4
147.08052	4.2
149.09677	3.3
151.03897	2.8
151.07541	34.3
158.99652	5.5
161.09706	2.5
163.11235	3.0
167.10692	3.4
173.09633	3.5
179.10603	3.3
188.59030	3.8
191.09146	2.1
191.10582	12.4
207.10204	8.3
209.11736	61.7
219.01682	2.8
227.12605	5.4
264.30176	2.6
269.13757	6.5
280.60876	5.7
295.11774	88.5
307.27008	2.2
313.03568	4.6
313.12762	30.0
313.16061	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01867	3.5
55.05517	20.9
56.96567	3.3
57.03426	5.5
60.05673	1.6
61.02926	16.7
67.05494	3.5
69.03438	23.3
69.07069	16.0
69.70329	6.5
69.70741	3.4
70.06599	9.1
71.04976	2.0
72.08159	5.5
73.02917	7.0
73.06552	4.4
80.18086	1.7
81.03416	8.0
84.08143	8.5
85.02912	100.0
86.09700	8.1
87.08111	12.6
89.03957	1.8
91.03957	6.6
91.05533	2.4
93.07037	3.2
95.08598	2.6
97.02908	22.0
98.97585	6.7
99.04427	5.3
105.03378	3.7
107.04875	2.3
109.02881	8.7
110.06017	5.3
110.07140	2.7
115.07575	39.3
116.98663	2.3
120.08112	3.8
122.06063	1.7
127.03925	25.3
128.69646	2.2
129.10216	3.1
133.08615	21.2
136.07564	2.6
137.06010	2.0
138.05490	15.0
144.04449	2.2
145.04964	49.5
150.05507	28.9
150.07919	1.9
151.03917	4.1
151.28261	1.8
157.43314	2.0
158.99667	2.2
163.06030	12.3
173.13287	1.9
180.08817	2.2
206.11728	3.0
224.12889	4.3
250.14551	3.1
268.15396	5.2
312.10901	3.4
312.14618	3.0
312.18161	35.2
312.32520	3.1
321.30359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.2
54.00600	0.2
55.01861	0.3
56.96566	0.9
57.03437	0.7
58.96661	0.1
61.02927	1.3
69.03434	2.6
69.07068	0.3
70.06603	0.3
70.32793	0.6
71.05002	0.4
72.08170	0.2
73.02927	0.8
76.03752	0.2
80.68230	0.2
81.03426	0.9
84.08157	0.7
85.02914	3.7
86.03262	0.2
86.09708	0.6
87.04470	0.6
95.06099	2.3
97.02895	1.8
97.06556	0.3
98.97582	2.0
99.04475	0.5
101.00851	0.3
101.02334	0.2
101.06071	0.2
104.10727	0.2
104.94975	0.2
109.02876	0.6
109.05120	0.6
110.07134	0.2
110.97591	0.2
112.99158	0.6
113.00862	0.2
113.03476	0.4
113.99488	0.3
116.98621	0.6
118.20571	0.2
119.01935	0.4
127.03946	1.0
131.00146	0.4
131.01933	0.2
131.04602	0.2
132.10196	0.3
133.03529	0.4
133.05098	7.1
136.06255	0.4
145.04988	0.3
150.07764	100.0
151.08113	0.3
161.40079	0.2
174.97635	0.4
191.04182	0.2
198.97641	0.2
209.12869	2.2
215.03000	0.2
216.98677	1.2
222.05721	0.2
223.01071	0.2
234.99747	1.0
237.02844	0.2
268.20154	1.9
312.13046	33.0
313.13248	0.4
323.10196	0.2
330.07074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.32035	0.5
53.03939	1.1
53.91743	0.6
55.01868	1.3
55.05516	50.5
57.03444	17.7
57.07080	21.8
62.35978	0.5
67.05505	7.2
67.76000	0.6
69.07072	51.6
69.16486	0.5
69.42757	4.1
71.04980	0.5
71.08639	12.7
73.02905	0.8
74.43877	0.5
79.05502	4.8
81.07069	9.8
83.04976	1.0
83.08627	43.8
85.10194	4.4
93.07044	6.7
95.08625	5.8
97.06532	4.9
97.10177	29.8
101.57525	0.6
106.81723	0.6
107.08578	4.1
109.10159	2.1
111.08135	0.9
111.11730	8.3
114.96864	0.6
118.93238	0.7
121.10159	5.6
123.11691	0.9
125.09657	1.3
125.13292	2.1
126.82005	0.6
135.11694	3.9
137.13301	1.0
139.11148	1.3
149.13289	2.2
163.14844	0.9
167.14435	0.5
178.96797	0.5
189.13734	0.5
196.91257	0.6
219.21123	1.5
237.22293	1.0
305.19321	0.6
311.25824	100.0
312.26190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01872	24.2
55.05282	1.8
55.05518	31.0
57.03439	3.7
57.07077	14.8
66.81532	2.0
67.05505	39.2
69.07072	44.2
69.62675	1.9
69.77803	10.4
71.04977	2.4
71.08635	58.9
78.66152	1.8
79.05491	20.4
79.96744	1.8
81.06597	2.6
81.07058	50.3
83.04986	30.3
83.08623	28.4
85.06543	2.5
90.96579	2.0
91.05494	11.9
93.07043	27.4
95.08610	35.1
97.06528	9.7
97.10187	10.2
99.08096	58.1
101.06036	5.8
105.07037	10.4
107.08595	24.1
107.95469	2.0
109.10174	15.3
111.04447	16.3
111.08102	4.6
111.11725	3.9
112.62810	1.9
113.09642	3.0
117.07018	2.3
119.08587	9.1
121.10146	17.5
123.11697	11.0
125.09661	3.5
127.11193	3.7
131.08621	10.3
135.04457	12.4
135.08096	3.4
135.11693	19.7
137.09660	3.3
137.13266	8.3
139.11174	2.3
145.10149	6.0
147.11693	26.7
149.09599	5.0
149.13234	5.5
151.14839	4.0
151.98247	1.9
153.09097	2.9
153.12761	29.3
153.55434	1.8
156.20305	2.0
159.11716	3.1
161.09647	16.6
161.13216	4.8
163.11189	7.9
163.14835	9.9
165.12698	9.5
167.14395	4.6
173.13326	6.3
177.16342	2.2
179.14291	2.1
179.98325	2.1
181.12216	4.6
181.15913	6.3
187.14864	2.5
189.92404	2.0
195.13837	2.9
209.11691	13.9
219.21060	2.9
232.76491	1.9
233.22673	7.5
237.11145	10.6
243.21071	15.3
251.23709	4.3
255.12201	2.8
261.22171	22.8
270.27942	2.3
279.23199	100.0
293.24622	2.5
311.16229	9.2
311.25937	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	311.237
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
51.02375	2.7
53.03949	4.9
55.01872	6.3
55.05518	23.6
57.03439	3.2
57.07074	3.6
65.03944	4.4
67.05511	43.4
69.03430	2.6
69.07072	56.2
69.93161	8.3
71.04993	4.6
72.13764	2.2
79.05499	28.7
81.03420	6.8
81.07059	45.5
83.04974	3.6
83.08646	9.8
91.05490	43.1
91.46053	2.1
93.07052	100.0
95.04386	3.3
95.04980	56.3
95.08616	92.9
97.06545	30.3
97.10159	4.0
105.04492	2.7
105.07037	83.5
107.08607	48.8
109.06512	19.2
109.10173	34.7
115.05457	7.6
115.23804	2.6
116.06248	3.3
117.07022	17.3
119.08590	72.8
121.06508	21.2
121.09328	3.6
121.10161	50.4
123.08102	17.8
123.11734	19.3
127.89574	2.0
128.06187	3.8
129.07011	3.7
130.07779	4.3
131.08583	27.8
133.06555	2.7
133.10144	41.4
135.04294	2.3
135.08078	15.4
135.11682	18.1
137.09628	5.6
137.13258	3.1
142.07768	11.6
143.08519	12.0
144.09363	4.2
145.10129	38.7
147.11705	21.9
149.09596	2.2
149.13254	6.0
150.96756	2.3
155.08517	2.7
156.09325	5.7
157.10143	28.9
159.08072	5.3
159.11711	53.5
161.09648	9.5
161.13257	13.3
163.11172	2.3
167.08560	2.6
169.10185	11.3
171.11703	18.6
173.13263	15.6
175.14833	10.8
177.16425	19.5
183.11629	8.1
184.12627	2.9
185.13309	9.1
187.11148	8.3
187.14857	7.6
189.16437	10.6
195.11789	3.6
196.12486	2.8
197.13312	10.0
199.14879	7.2
201.16418	10.3
203.17955	9.1
209.13280	5.2
211.14812	8.2
213.16469	7.7
215.17967	7.9
219.17523	3.6
223.14786	4.8
225.16440	3.5
225.27330	2.4
227.17967	2.8
237.11218	2.7
237.16364	6.9
239.18063	2.3
241.16153	2.6
241.19514	2.4
242.20177	2.4
255.17787	2.6
255.21106	3.7
265.82513	2.2
267.21075	3.4
267.28635	2.2
283.24118	2.5
293.22635	3.7
311.23706	30.4
319.88422	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	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01878	10.6
55.05282	1.7
55.05517	25.0
57.03447	3.0
57.07066	8.7
65.03925	2.6
67.05511	100.0
67.18832	1.7
69.03425	5.1
69.07074	38.0
71.04993	4.3
71.23208	2.1
79.05148	1.8
79.05501	20.6
81.03413	7.9
81.06591	2.7
81.07062	41.2
82.10558	2.0
83.04967	7.8
83.08596	8.9
85.06548	3.0
91.05489	15.6
93.07040	28.8
95.04971	21.6
95.08608	27.8
97.06531	3.6
97.10180	12.8
98.36326	1.8
105.07024	11.7
107.04980	4.3
107.08604	19.9
109.06483	2.6
109.10156	62.7
111.04431	7.9
111.08074	3.1
117.07011	5.8
119.08595	17.4
119.99135	1.8
121.10145	12.5
123.08080	4.5
125.09618	11.1
131.08562	8.7
133.10109	6.1
135.07996	5.2
135.11682	4.0
135.33633	1.7
137.09621	35.2
139.11186	3.0
145.10133	5.7
147.08061	2.5
147.11728	5.7
149.09636	8.3
149.13208	1.8
151.11159	2.7
153.05441	5.2
159.11684	3.7
161.09621	2.0
161.13231	2.3
163.11168	7.4
165.09119	3.5
169.10092	2.1
171.11552	2.4
171.86707	1.8
173.13216	2.0
175.11215	2.1
179.10632	3.8
181.12253	2.6
187.11264	2.4
189.11269	6.1
196.27698	1.8
209.11763	20.9
211.13309	4.1
223.13278	7.7
237.11263	16.0
247.20743	2.9
255.12312	4.8
257.18945	4.4
275.20105	35.5
293.17844	4.5
293.21088	15.7
311.16116	4.4
334.11133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.30788	0.6
55.01878	3.0
55.05278	0.7
55.05517	10.9
57.03444	0.8
57.07068	2.2
60.89108	0.5
67.05511	6.1
69.03432	0.7
69.07071	5.0
69.40542	0.5
69.83199	3.0
69.98966	0.5
71.04959	0.6
71.08639	6.8
72.37667	0.4
73.02934	0.6
79.05492	5.3
81.03408	1.3
81.07059	6.2
83.04997	2.9
83.08622	5.8
83.11588	0.5
91.05496	3.5
93.07047	3.4
95.04982	3.1
95.08618	4.2
97.02879	0.7
97.06527	0.9
97.10186	9.2
99.08096	4.8
104.51807	0.5
105.07046	2.6
107.04941	1.7
107.08611	4.4
108.05708	0.9
109.06510	2.0
109.10172	2.3
111.04422	2.1
111.08056	0.8
117.07024	0.9
119.08559	1.9
121.06531	4.2
121.10145	1.1
123.08067	0.8
125.05991	0.8
125.09641	6.7
131.08603	1.2
133.10141	1.4
135.08057	1.1
135.11678	1.5
137.09663	0.9
145.10114	1.7
147.11725	0.8
149.09552	1.0
149.13237	0.7
151.11168	1.8
153.05446	1.2
159.11711	1.2
161.09569	0.6
163.11183	1.4
164.12029	0.6
165.12766	0.7
167.10645	0.9
171.10188	0.6
177.12730	2.3
181.12260	0.9
189.11203	3.3
191.10672	1.1
205.65163	0.6
209.11722	7.5
211.13313	1.2
237.11244	5.7
237.14894	0.9
237.61969	0.6
247.20555	0.7
255.12334	1.9
257.19046	1.2
275.20078	6.4
289.14282	0.6
293.21118	100.0
294.21442	1.1
303.77908	0.7
311.26065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03944	4.5
55.01878	10.6
55.05282	1.7
55.05517	25.0
57.03447	3.0
57.07066	8.7
65.03925	2.6
67.05511	100.0
67.18832	1.7
69.03425	5.1
69.07074	38.0
71.04993	4.3
71.23208	2.1
79.05148	1.8
79.05501	20.6
81.03413	7.9
81.06591	2.7
81.07062	41.2
82.10558	2.0
83.04967	7.8
83.08596	8.9
85.06548	3.0
91.05489	15.6
93.07040	28.8
95.04971	21.6
95.08608	27.8
97.06531	3.6
97.10180	12.8
98.36326	1.8
105.07024	11.7
107.04980	4.3
107.08604	19.9
109.06483	2.6
109.10156	62.7
111.04431	7.9
111.08074	3.1
117.07011	5.8
119.08595	17.4
119.99135	1.8
121.10145	12.5
123.08080	4.5
125.09618	11.1
131.08562	8.7
133.10109	6.1
135.07996	5.2
135.11682	4.0
135.33633	1.7
137.09621	35.2
139.11186	3.0
145.10133	5.7
147.08061	2.5
147.11728	5.7
149.09636	8.3
149.13208	1.8
151.11159	2.7
153.05441	5.2
159.11684	3.7
161.09621	2.0
161.13231	2.3
163.11168	7.4
165.09119	3.5
169.10092	2.1
171.11552	2.4
171.86707	1.8
173.13216	2.0
175.11215	2.1
179.10632	3.8
181.12253	2.6
187.11264	2.4
189.11269	6.1
196.27698	1.8
209.11763	20.9
211.13309	4.1
223.13278	7.7
237.11263	16.0
247.20743	2.9
255.12312	4.8
257.18945	4.4
275.20105	35.5
293.17844	4.5
293.21088	15.7
311.16116	4.4
334.11133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.54401	3.5
53.03946	4.9
55.01864	8.1
55.05520	23.6
57.07077	36.0
59.05001	3.4
67.05508	49.2
69.03406	4.2
69.07058	11.8
69.74735	18.9
71.04990	5.8
71.08630	7.4
79.05486	27.1
81.03410	12.0
81.07067	42.5
83.04991	14.3
83.08615	11.9
85.06548	6.1
87.75812	3.0
87.98629	3.6
90.61190	3.7
91.05491	46.4
93.07050	29.9
95.04969	16.0
95.08624	41.0
97.06545	7.9
97.10111	6.5
98.21566	4.8
105.07039	34.3
107.04945	5.7
107.08595	10.7
109.02882	4.0
109.06506	8.4
109.10155	21.2
111.04456	31.0
111.08073	6.8
117.07014	13.3
119.08584	19.1
121.06509	4.1
121.10173	21.7
123.08046	10.1
123.11745	6.0
125.05967	10.6
125.09616	5.4
129.07027	4.7
131.08548	16.1
133.10141	33.8
135.11760	5.9
137.09554	6.2
139.11192	7.5
140.70930	3.1
143.08551	5.1
145.10107	10.3
147.11685	10.3
149.02368	5.4
149.09634	11.5
149.13237	3.3
153.05434	16.4
155.10661	12.7
157.10155	4.8
157.51031	3.3
159.11690	10.8
163.11191	9.8
169.10158	3.6
171.11745	7.6
173.11754	13.1
173.13254	7.5
177.12711	4.2
179.31860	3.3
181.12289	8.1
191.10654	13.8
193.04997	15.1
193.06708	3.9
193.08740	3.7
193.12354	3.7
197.13297	3.4
206.39140	3.3
209.11729	100.0
223.13321	4.2
224.65613	4.3
224.76659	4.1
235.17139	3.4
237.11223	86.9
238.01746	4.1
239.17807	8.8
249.30574	3.7
255.12225	21.2
257.19016	7.1
263.07996	3.6
275.20065	45.5
293.17517	9.6
293.21112	37.5
311.18460	6.3
311.24625	26.1
311.74796	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03939	3.6
55.01886	5.6
55.05514	29.2
56.96560	3.8
57.03435	4.1
57.07077	5.7
65.28585	2.4
67.05505	63.1
68.30261	2.8
69.03404	4.3
69.07076	33.2
69.26601	6.8
69.27006	18.2
71.04993	5.4
79.05496	38.8
81.07057	71.9
81.07963	2.3
82.45292	2.5
83.04969	7.4
83.08623	22.2
85.06559	6.3
91.05482	34.2
93.01127	3.0
93.07041	45.5
95.04969	9.5
95.08611	50.0
97.06521	27.6
97.10172	15.1
98.21515	6.2
98.97553	4.4
99.08086	3.5
104.10767	3.4
104.95884	2.4
105.07038	39.3
107.04952	5.8
107.08600	31.5
109.06551	6.6
109.10155	34.7
111.08074	5.5
117.07015	10.3
119.08575	25.7
121.06564	2.8
121.10143	19.0
123.08067	9.3
123.11710	8.5
125.09613	10.3
129.07033	6.2
131.08548	19.3
133.10127	35.7
135.08052	7.5
135.11688	9.4
137.09601	9.9
137.13269	3.3
139.11197	5.4
141.06972	3.9
145.10107	18.3
145.26802	2.6
147.11682	12.0
149.09644	14.2
149.13206	8.1
151.11223	5.4
157.10129	8.0
159.11685	14.4
161.13223	5.3
163.11160	10.2
163.14796	2.6
171.11649	3.4
173.11888	5.3
173.13237	8.4
177.12730	3.4
183.11714	3.7
187.07475	3.7
189.11226	5.9
193.12323	3.5
195.13947	2.9
197.13283	5.5
213.05437	4.1
215.07056	5.3
229.19531	3.8
239.17999	4.8
247.20663	3.9
249.18466	3.4
249.43590	2.7
257.18967	13.0
267.13876	3.7
275.20074	100.0
293.18811	2.5
293.21228	25.8
311.12750	24.1
311.16235	5.5
311.22485	4.0
311.29501	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03950	1.3
55.01886	8.1
55.05512	9.9
55.51927	1.1
57.03435	2.8
57.07078	1.7
59.05008	1.2
60.34307	1.2
65.03936	1.4
67.05510	20.2
68.82564	1.1
69.03429	2.3
69.07072	48.4
70.04667	2.0
70.05016	5.0
71.04989	3.8
79.05494	16.9
80.95721	1.0
81.03423	8.7
81.07066	22.1
83.04990	13.6
83.08622	4.1
85.02886	4.8
85.06552	2.0
91.05495	10.8
93.07053	23.1
95.04973	40.8
95.08608	16.2
97.06539	7.9
97.10168	4.3
98.32980	1.1
98.97626	1.8
99.04448	4.1
99.08108	2.0
101.06026	1.2
105.07038	13.3
105.43649	1.3
107.04985	5.7
107.08598	13.2
109.06496	5.6
109.10143	5.0
111.04448	21.2
111.08089	2.9
115.61539	1.0
117.07004	5.7
118.20550	1.1
119.08588	8.1
121.06508	5.0
121.10142	9.8
123.08064	3.7
123.11667	1.9
125.05989	1.9
125.09614	1.9
128.58028	1.2
129.06970	1.7
131.08565	8.5
133.10143	9.3
135.08070	9.0
135.11711	5.7
137.06027	1.2
137.09641	3.0
139.07555	1.9
139.11169	4.4
141.07019	1.3
143.08592	2.7
145.10118	5.1
147.07982	1.2
147.11696	3.6
149.09631	5.1
149.13255	2.5
151.11191	2.3
157.10081	1.6
159.11705	7.5
161.09579	2.3
161.13264	1.6
163.11185	2.9
165.12863	1.3
167.14311	4.9
169.10141	1.7
171.11746	1.6
173.13281	1.5
177.12701	7.0
183.11629	1.9
187.11267	1.3
195.13818	3.0
201.12756	3.1
203.12808	3.3
205.12213	2.0
207.13730	4.1
219.13853	4.1
223.13271	2.6
225.14824	4.1
230.31862	1.2
237.14873	46.8
237.17278	2.5
241.14343	4.0
247.20610	1.9
257.18979	2.6
275.20062	34.8
293.21121	100.0
311.22247	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	311.222
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03922	9.2
55.01900	7.3
55.05510	36.9
57.03420	7.1
57.07066	27.6
58.75984	5.7
67.05241	6.8
67.05511	75.7
69.03433	9.7
69.07062	26.7
69.63219	41.7
71.05002	13.5
79.05501	49.1
81.03436	7.4
81.07061	60.2
83.04987	16.7
83.08619	11.0
91.05486	100.0
93.07051	58.3
95.08616	60.9
97.06560	16.6
97.10168	14.6
99.08028	6.2
105.07030	85.0
107.08635	30.4
109.10179	46.6
111.04428	18.9
111.08072	6.3
113.80233	5.8
117.07022	28.4
119.08607	46.7
121.06432	6.2
121.10152	46.2
123.08109	6.1
125.09595	10.2
128.06198	7.3
129.06979	7.6
131.08563	43.1
133.10139	83.4
139.11188	20.6
145.10126	20.4
147.07970	7.3
147.11676	22.2
149.09592	25.3
153.05461	19.4
155.10667	16.7
157.10101	11.0
159.11716	21.6
163.11166	13.5
171.11707	16.2
173.11758	41.0
173.13171	12.2
183.11700	12.6
189.11235	9.6
191.10695	7.5
197.13226	11.3
209.11765	95.5
237.11214	87.8
239.17938	24.9
255.12282	26.6
257.18933	17.7
275.20065	94.7
293.17783	9.1
293.21088	23.0
311.18341	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03939	1.7
55.01863	6.9
55.05518	13.5
55.07887	1.0
56.96574	1.5
57.03428	2.9
57.06799	1.8
57.07077	31.2
58.94050	1.0
65.03936	1.7
67.05505	26.3
68.99796	2.4
69.03420	4.3
69.07061	7.6
69.96033	2.4
69.96430	2.3
71.01343	1.6
71.04993	8.4
71.08639	13.2
79.05494	8.1
81.03405	4.5
81.07056	15.9
83.04984	10.2
83.08617	4.2
85.02910	9.1
85.06537	2.4
88.07637	2.0
89.11781	1.1
91.05490	12.4
93.07053	15.0
95.04972	11.1
95.08609	55.2
97.06527	4.7
97.10172	2.6
98.97568	4.8
99.04446	2.3
99.08092	9.2
101.02384	1.2
101.06029	2.5
105.07037	7.1
107.04952	5.9
107.08598	8.8
109.02879	4.8
109.06533	2.6
109.09473	2.0
109.10160	23.3
110.03639	1.2
111.04443	23.3
111.08099	4.3
113.06008	2.7
115.75444	1.0
116.98614	2.1
117.07009	1.9
119.08566	12.0
121.06556	1.3
121.10153	4.9
123.08070	8.7
123.11738	1.9
125.05997	6.2
125.09646	1.8
127.11202	2.6
131.08542	4.8
133.10127	12.7
135.04402	3.6
135.08022	1.4
135.11694	3.0
137.09616	13.9
139.11150	1.1
141.09019	1.5
145.10109	4.8
147.11661	1.7
149.02328	3.7
149.09647	6.2
151.07588	1.8
151.11198	12.0
153.05475	19.0
155.09427	2.4
155.10670	42.3
159.11697	1.9
161.09592	3.0
161.13239	1.7
163.11205	6.0
165.12804	1.7
173.09525	1.2
173.11845	1.3
175.07509	1.1
177.09233	1.3
177.12740	4.1
181.04999	3.9
181.12242	8.8
183.13774	2.5
187.11218	1.5
189.11150	1.4
191.10658	9.8
193.05028	7.2
196.62524	1.7
200.19919	1.2
202.54893	1.1
209.11739	100.0
210.12041	1.6
219.10152	1.5
223.13176	5.7
224.65602	2.3
229.19498	2.4
237.11217	81.5
247.20547	2.5
251.20134	5.5
255.12286	23.4
257.18994	1.7
265.21695	1.9
269.10687	1.3
275.20087	19.5
281.24841	1.1
293.17542	8.1
293.21060	54.5
311.12372	1.5
311.18567	12.7
311.24615	17.7
311.74759	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03951	0.7
55.05508	0.9
56.96554	0.9
65.03957	0.6
67.05497	2.4
69.03447	0.6
70.77831	1.2
79.05501	3.5
81.03421	1.7
81.07066	3.3
83.08610	0.9
85.02906	0.7
85.06546	1.0
91.05476	5.6
93.07050	1.6
94.04184	4.2
95.04961	1.7
98.97587	1.0
100.01851	0.5
103.05440	2.1
105.07042	6.2
107.04979	3.2
107.08569	0.7
109.06518	5.0
115.05468	2.1
116.06291	1.0
117.03390	0.7
119.08605	1.0
121.06512	1.8
121.10173	0.9
122.03647	11.0
123.04482	0.7
128.06219	1.4
129.07022	5.0
131.04919	1.7
131.08591	1.4
133.06516	5.6
135.04446	0.9
137.05983	96.4
141.07033	0.8
144.05684	3.4
145.06511	1.6
146.03662	1.6
147.08069	0.9
149.06001	5.5
149.09645	1.0
151.07486	1.3
155.04919	6.4
155.06033	0.8
156.05710	1.1
157.06432	0.6
159.08067	6.7
161.05995	10.7
163.03943	0.9
163.07547	0.7
165.06995	3.4
167.07053	1.2
172.05190	2.9
175.07576	3.9
178.86829	0.6
179.08568	2.1
180.09338	1.8
181.06454	0.9
187.07544	26.1
189.06995	5.5
189.08879	1.1
190.07774	22.9
191.08560	49.1
193.06610	0.9
193.10001	0.7
195.07973	0.7
201.07021	1.3
202.07771	3.1
203.08591	1.2
205.06557	3.1
205.10136	1.0
207.08057	5.8
207.76001	0.6
208.08873	6.8
209.15520	0.7
211.07591	0.8
217.06450	0.7
218.07288	14.8
219.08060	66.4
220.08856	6.4
221.05951	2.5
223.07599	0.6
223.11191	1.2
225.09106	1.6
229.07832	2.6
231.08157	0.9
233.09651	2.1
235.07558	8.3
236.08324	15.0
237.09117	2.3
246.06737	2.2
247.07549	27.9
248.08304	2.1
249.05431	1.3
249.09106	1.5
250.09753	1.0
251.10686	90.1
252.10936	0.7
253.08661	6.6
261.09131	3.7
263.07007	2.3
264.07846	9.1
265.08582	3.5
265.12155	0.6
266.05719	1.2
267.10135	1.8
268.10925	1.8
278.09482	0.8
279.10175	82.0
280.07898	0.8
280.10861	4.9
281.08124	10.4
283.09863	1.2
283.13306	2.3
295.09650	1.0
296.10446	12.1
309.11264	0.8
311.12787	100.0
312.13058	1.5
322.55347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.7
56.96556	4.5
57.03440	3.5
60.04519	1.5
61.02937	3.0
67.05511	22.9
69.03424	6.6
69.07069	51.4
70.06599	11.9
71.04987	8.7
72.08155	8.1
73.02888	2.0
79.05466	2.1
81.03428	3.8
81.07037	2.0
83.08626	1.7
84.04510	2.2
84.08146	11.9
85.02907	22.5
86.09703	9.4
91.05473	3.6
93.07053	7.2
95.08610	97.3
97.02892	7.0
98.97586	5.9
102.05524	1.6
109.02884	4.0
113.09641	100.0
120.08114	4.0
121.06478	2.6
124.07582	1.8
127.03946	5.3
129.10248	4.5
131.07033	1.8
131.10680	19.9
136.04053	1.7
136.07576	2.2
145.04913	6.0
147.04440	2.7
148.04874	2.2
163.05937	3.4
164.07118	1.9
177.00763	1.9
189.00569	1.8
210.02122	3.0
213.09888	1.7
213.12289	2.5
214.32281	1.5
282.18192	3.5
283.72736	1.9
292.12177	2.5
310.07703	2.4
310.11597	2.5
318.41946	1.5
333.46292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03925	3.1
54.90532	1.4
55.01857	4.9
55.05515	40.2
56.96551	4.4
57.03445	9.5
57.07079	14.4
59.04989	6.1
60.95850	2.4
61.02948	2.0
65.03928	2.5
67.05507	48.2
69.03426	13.5
69.07068	99.5
71.04992	7.6
71.08632	7.0
71.54049	1.9
71.54430	1.4
73.06548	4.9
78.48570	1.4
79.05075	1.9
79.05495	27.7
81.03409	5.5
81.07059	98.8
83.04983	12.5
83.08150	2.5
83.08617	34.3
85.02914	13.1
85.06548	19.3
85.10181	2.1
91.05477	17.5
93.06486	2.8
93.07047	51.3
93.08418	1.5
95.04983	12.4
95.08611	100.0
97.02895	12.2
97.06538	19.6
97.10174	13.0
98.97575	6.9
98.98441	3.9
99.08093	9.3
101.06023	2.1
103.34206	1.4
105.07018	19.9
107.04949	4.3
107.08598	51.2
109.02849	1.7
109.06566	7.6
109.10159	46.6
111.08096	25.8
111.11726	23.2
113.05994	1.9
113.09624	2.9
115.07603	1.8
116.98611	3.4
117.03336	2.9
117.07004	5.0
119.04893	1.6
119.08583	16.9
121.06476	4.2
121.10144	25.7
123.08115	8.6
123.10829	2.6
123.11713	44.6
125.09630	8.4
125.13258	4.0
127.03860	1.6
127.07527	1.4
127.11144	2.0
129.05453	2.3
129.07066	2.7
131.08620	6.9
133.10114	9.6
135.08037	6.0
135.11685	23.1
137.09592	7.3
137.13258	10.6
139.11150	3.1
143.08548	3.5
143.10686	1.9
145.02824	7.6
145.10121	5.4
147.04407	3.2
147.06519	1.6
147.08035	3.0
147.11708	7.7
149.09628	4.2
149.13254	32.9
150.94627	1.4
151.07558	1.8
151.11159	2.4
151.14900	2.0
153.09145	1.6
153.12752	30.4
157.10103	2.5
159.11688	4.2
161.09570	3.4
161.13263	4.5
163.11182	1.8
163.14824	6.8
165.09227	2.1
165.12718	2.8
167.14362	9.6
171.11702	4.2
171.13858	2.8
173.09570	1.4
175.11108	1.6
175.14798	3.4
177.05476	15.8
177.12756	1.5
177.16444	2.8
179.10619	2.7
179.14267	3.2
189.11197	3.3
189.12726	2.6
189.16357	2.9
191.17891	2.2
193.12231	1.9
203.17892	1.5
213.16309	1.6
217.15912	2.7
217.19336	1.6
219.13762	2.4
255.17622	2.4
259.09708	2.5
263.20163	1.9
273.18472	9.4
273.25763	3.6
277.21756	1.9
286.10431	3.4
291.19556	22.9
291.26831	16.1
300.12283	2.0
309.16965	2.8
309.20416	12.8
309.27850	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03947	2.6
53.92943	0.6
55.01873	4.2
55.05515	32.7
56.96571	1.9
57.03441	9.4
57.07078	13.4
59.05008	5.9
65.03941	1.1
67.05510	39.3
69.03425	6.0
69.07072	100.0
69.70513	4.4
69.70818	1.1
70.97562	0.8
71.05003	5.4
71.08637	5.4
71.56590	0.8
73.02904	0.8
73.06559	4.5
79.05499	22.2
79.76587	0.6
81.03414	2.4
81.07062	88.2
82.07388	0.7
83.04985	6.9
83.08624	32.3
85.02908	1.2
85.06552	15.5
85.07030	1.5
85.10186	1.2
91.05489	11.1
93.07050	49.9
95.04978	5.5
95.08614	93.4
97.02902	2.2
97.06541	16.6
97.10197	8.0
98.97600	2.4
99.08094	11.0
99.08679	1.0
101.06041	2.0
103.05493	1.2
105.04517	0.8
105.07036	13.2
107.04957	2.7
107.08599	42.4
109.06521	5.8
109.10162	40.1
111.04412	0.9
111.07401	0.5
111.08089	23.0
111.11726	26.9
113.06004	1.1
113.09658	2.0
114.75829	0.7
115.07562	2.0
116.98578	1.0
117.07027	2.2
119.08580	8.8
121.06538	2.1
121.10148	20.1
123.08079	3.1
123.11713	45.5
125.09631	6.9
125.13275	4.2
127.07577	2.5
127.11198	2.3
129.07024	1.7
129.09099	1.5
129.12813	1.4
131.08601	3.1
133.10139	6.1
135.08102	2.5
135.11699	25.9
137.09636	2.3
137.13266	9.7
139.11179	3.3
143.08542	2.4
145.02890	1.7
145.10147	2.1
147.04448	0.9
147.08017	1.3
147.11722	4.6
149.09659	1.0
149.13271	35.2
150.58282	0.9
151.11197	1.7
151.14848	2.8
153.12756	37.7
157.10175	2.5
158.99654	1.0
159.11684	2.3
161.09641	1.9
161.13258	4.1
162.03162	1.1
163.03883	1.2
163.11232	1.4
163.14838	7.3
165.12762	3.5
165.16432	1.4
167.14336	12.6
171.11714	2.2
171.13806	4.7
173.13319	1.4
175.14919	1.2
175.50980	0.8
177.05478	3.3
177.12766	0.9
177.16397	3.5
179.14325	2.3
189.11067	0.8
189.12712	1.0
189.16449	2.2
190.02623	0.8
191.18086	1.4
195.17542	1.0
203.17961	2.1
207.13832	1.3
208.03629	1.2
217.15950	1.8
217.19501	2.9
219.13786	1.1
223.06010	9.8
223.13377	0.9
231.08701	1.2
235.16972	1.3
245.19194	0.9
247.23930	0.8
252.77426	0.9
265.25290	1.8
273.18536	4.4
273.25702	3.7
291.19647	10.0
291.22821	1.6
291.26782	17.5
294.48615	0.8
300.12155	0.8
309.07608	2.0
309.11295	0.9
309.20520	8.4
309.27887	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03952	4.4
55.01876	12.4
55.05513	32.8
56.96560	2.4
57.03431	5.5
57.07080	9.8
59.04997	1.9
64.98765	1.3
65.03931	1.3
67.05506	65.0
69.03421	4.8
69.06727	2.1
69.07073	27.6
69.38728	1.2
69.86669	4.1
69.87067	2.7
71.04990	4.3
71.08634	40.6
73.81548	1.3
76.67037	1.3
79.05495	46.4
81.03419	17.1
81.07058	60.5
83.04990	13.4
83.08627	17.7
85.06548	6.6
85.10191	13.8
88.74203	1.6
91.05484	30.8
93.07050	50.8
95.04969	19.5
95.08000	2.2
95.08610	43.1
97.06533	14.1
97.10174	15.9
98.97564	2.0
99.08095	40.9
105.07032	23.7
107.04962	11.3
107.08596	35.9
109.06535	5.8
109.10160	24.3
111.04433	1.8
111.08089	12.1
113.09644	16.4
117.07028	8.5
119.08587	19.2
121.06512	3.1
121.10149	21.6
123.08087	12.9
123.11703	5.8
125.09631	20.9
127.11191	1.4
129.07019	6.5
131.08556	9.4
133.06508	1.5
133.10133	15.9
135.08067	6.7
135.11703	24.2
136.74312	1.4
137.09656	8.5
139.07553	4.8
139.11140	3.7
141.12755	1.5
143.08578	5.9
145.10124	12.0
147.08051	3.2
147.11703	16.9
149.09639	5.9
149.13258	11.4
151.07512	1.5
151.11182	29.8
153.09108	6.2
153.12749	5.1
155.10670	1.4
157.10144	4.7
157.12308	2.2
159.11688	3.6
161.09656	2.3
161.13263	14.6
163.11182	14.4
163.14842	3.2
165.06940	1.4
165.09039	1.8
165.12766	20.4
167.10681	3.1
167.14241	3.1
171.10396	2.1
171.11671	6.7
173.13226	3.3
175.11159	2.4
175.14806	8.3
177.12715	2.5
179.14311	12.3
181.12280	2.4
185.13280	3.6
189.12741	2.6
189.16362	3.0
193.12222	1.8
193.15912	3.9
195.13812	1.6
199.14828	4.1
203.12764	10.8
207.13750	2.6
214.71516	1.6
217.15910	2.5
217.19521	2.6
221.15411	3.1
225.18329	1.7
231.21132	4.8
235.16899	2.9
241.19511	10.5
249.22165	5.2
259.20605	15.5
273.18585	2.4
277.21628	100.0
291.19559	8.1
291.23187	6.4
299.59845	1.4
309.16748	53.0
309.20410	4.7
309.24213	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	7.9
55.01880	13.5
55.05514	52.6
57.03427	6.8
57.07071	6.1
59.04990	4.0
64.24310	1.6
65.03938	4.1
67.05508	98.5
69.03426	7.8
69.07070	38.4
69.86674	8.7
71.04998	5.0
71.08636	54.6
77.03933	2.0
79.05497	65.1
81.03429	17.3
81.07060	100.0
83.04994	19.6
83.08221	2.3
83.08633	24.1
85.06555	7.0
91.05480	46.8
93.07049	67.1
95.04970	21.6
95.08610	51.1
97.06541	16.5
97.10172	32.6
98.20870	2.4
99.08099	51.7
105.07041	47.7
105.07649	1.3
107.04946	6.3
107.08603	50.8
109.06522	11.8
109.10164	53.9
111.04440	2.6
111.08083	12.1
113.09617	2.1
115.05480	2.4
117.07011	15.3
119.08579	23.1
121.06532	9.9
121.10138	25.2
123.04470	2.0
123.08071	9.6
123.11712	8.4
125.05952	2.4
125.09637	20.6
127.07620	2.1
128.06248	2.1
129.07011	7.0
131.08583	13.9
133.06488	5.7
133.10138	42.3
135.08046	14.3
135.11693	27.9
137.09616	6.1
137.13229	3.2
139.07568	7.5
139.11217	2.5
143.08583	7.9
145.10127	21.0
147.08070	7.3
147.11696	13.6
149.09633	6.4
149.13264	14.4
151.11189	49.6
153.09129	5.6
153.12726	4.8
156.02242	2.1
157.10162	5.4
159.11722	7.6
161.09618	10.1
161.13304	18.1
163.11200	18.3
163.14905	4.3
165.12750	5.0
167.10718	2.9
169.12248	4.9
171.10309	2.4
171.11716	6.2
173.11766	2.0
173.13202	2.9
175.11179	5.9
175.14842	5.8
177.09088	2.4
177.12724	4.4
179.14316	14.6
185.13333	7.1
188.52501	1.9
189.11220	3.2
189.12813	2.3
189.16438	2.2
193.12265	2.5
193.15895	4.4
195.13823	2.2
199.14844	3.2
200.99969	1.7
203.12776	15.7
203.14372	3.0
213.00188	1.9
213.16266	2.1
217.19516	2.7
221.15356	4.0
223.13181	3.0
231.17455	3.5
231.21107	4.3
235.16850	2.5
237.16380	2.1
241.19543	11.3
245.18973	8.1
255.17328	4.3
257.03311	2.2
259.20627	15.1
263.20117	5.5
273.18527	21.8
274.09375	2.5
277.21640	75.3
291.19574	76.3
291.22968	5.8
295.22836	2.6
301.01810	4.4
309.20654	8.9
309.24271	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.02357	1.1
53.03934	4.6
55.01861	4.3
55.05514	15.3
57.03432	3.3
57.07064	5.0
58.81844	1.0
59.05007	1.1
60.14016	1.1
65.03932	1.2
66.40970	0.9
67.05507	40.2
69.03418	4.8
69.07066	18.7
69.44797	1.0
69.89620	6.0
71.04978	4.3
71.08632	14.5
75.45471	1.4
79.05081	1.4
79.05497	25.1
81.03415	20.9
81.07057	30.7
83.04990	6.3
83.08612	5.4
85.06537	4.1
86.87687	1.3
91.05487	19.6
93.07048	39.9
94.57572	1.2
95.04972	24.7
95.08613	28.7
97.06544	9.2
97.10155	5.7
97.29788	1.2
99.08100	11.7
105.07037	23.6
107.04963	2.4
107.08600	17.8
109.06494	5.8
109.10156	18.9
111.11689	1.2
117.07031	5.4
117.07754	1.2
119.08596	18.7
121.06521	2.7
121.10149	31.7
123.08065	3.8
123.11686	4.2
125.09602	3.3
128.06146	1.3
129.06961	3.7
131.08585	10.5
133.10143	15.4
135.08064	2.1
135.11717	9.3
137.09616	14.4
139.11168	5.0
142.07724	1.8
143.08559	5.2
144.09357	1.5
145.10130	9.9
147.07983	1.7
147.11681	6.0
149.09604	3.3
149.13251	5.0
151.11197	14.3
156.09370	1.5
157.10127	6.0
159.11688	9.8
161.09599	3.1
161.13235	4.5
163.11153	2.9
163.14789	1.7
165.12721	3.0
169.10098	4.0
171.11693	4.3
173.13237	5.0
175.11142	2.1
175.14809	3.8
179.14272	2.3
181.10316	1.2
181.12036	1.3
183.11607	1.4
185.13213	2.7
187.11111	1.5
187.14799	3.7
189.12724	2.1
189.16420	1.2
191.14348	1.4
193.15863	1.6
195.11760	1.6
195.13702	1.3
197.13290	2.7
199.14824	3.8
203.12701	2.2
209.13243	1.6
211.14857	1.4
213.16353	1.4
217.14354	5.0
221.15361	4.6
231.17574	1.3
231.20981	1.6
241.19473	3.5
249.22144	3.9
259.20572	4.7
277.21631	100.0
300.15686	1.4
309.21478	5.9
309.24783	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	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.9
55.01861	7.1
55.05279	1.9
55.05516	24.6
57.03421	2.5
57.07072	6.1
67.05508	53.9
69.06731	2.6
69.07070	31.3
69.62276	11.0
71.04983	3.0
71.08618	3.1
79.05500	32.6
81.03420	59.2
81.06597	2.5
81.07066	44.0
83.04991	14.6
83.08612	10.0
85.10167	3.3
91.05490	15.8
93.07046	32.0
93.63026	1.8
94.53940	1.5
95.04972	29.4
95.08610	17.2
97.06518	3.8
97.10195	8.6
99.08070	3.6
105.07036	17.7
107.08595	21.1
109.06536	5.8
109.10162	12.7
117.07018	2.9
117.52023	1.5
119.08589	13.0
121.10160	9.1
123.08078	2.8
123.11703	6.3
125.09646	11.4
131.08620	2.9
133.10152	14.5
135.08009	3.8
135.11649	7.6
137.09608	2.3
137.99077	1.5
145.10066	1.9
147.11703	11.9
149.13258	5.1
151.11194	30.2
153.09129	4.2
157.10098	3.0
161.13252	10.1
163.14799	4.0
165.12746	6.8
171.10277	2.0
171.11656	4.4
173.13358	2.5
175.11223	3.3
175.14830	3.3
179.14273	4.3
185.13177	2.1
189.12691	2.6
193.12268	2.4
195.13712	1.6
203.12814	8.7
207.13753	3.9
212.77942	1.9
231.21146	7.8
241.19554	5.8
249.22093	2.6
259.20578	8.8
274.70029	1.7
277.21634	100.0
293.42105	1.8
309.24249	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	3.2
55.05515	11.1
57.03434	3.9
57.07053	2.0
58.10003	1.8
58.95005	1.9
67.05511	32.8
69.07061	9.8
70.93069	4.4
71.08633	44.8
71.77814	2.0
72.86410	2.1
79.05501	31.6
81.03413	5.5
81.07061	39.3
83.04989	8.9
83.08611	9.7
85.06551	2.7
91.05498	18.1
91.57512	1.8
93.07053	45.8
95.04958	9.6
95.08615	28.6
97.06542	9.2
97.10156	3.5
99.08096	38.4
102.71334	1.8
105.07035	17.0
107.04958	5.8
107.08600	27.8
109.06506	2.4
109.10152	9.8
113.09624	3.1
117.07065	3.8
119.08572	11.1
121.10152	27.1
123.08080	2.8
123.11721	2.2
131.08554	3.5
133.10144	10.4
135.11702	39.4
137.09645	4.5
141.09062	3.0
145.10085	6.1
147.11627	3.8
149.13301	11.4
151.11169	22.0
153.12816	5.8
156.17700	2.0
159.11716	4.5
161.13336	12.7
163.11162	6.4
175.14867	2.8
177.12712	6.1
178.28270	1.8
179.14322	100.0
189.12839	2.9
195.13835	2.7
197.72260	2.0
221.15356	4.4
233.97841	1.9
235.16846	4.3
241.19469	2.2
259.20630	7.6
277.21628	64.4
279.22586	1.9
309.24200	6.0
315.81549	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01876	6.5
55.05309	0.7
55.05515	6.9
57.03442	1.2
57.07074	2.6
67.05512	9.3
69.03426	1.4
69.07074	8.2
70.25134	2.8
71.04998	1.3
71.08640	1.1
79.05502	9.4
81.03410	2.7
81.07063	32.9
83.04991	4.5
83.08641	3.7
84.29237	0.7
85.06528	1.2
91.05472	4.6
93.07053	8.2
95.04970	3.3
95.08618	11.9
96.70270	0.8
97.06526	3.3
97.10152	1.8
99.08083	1.1
105.07049	5.0
107.04967	1.3
107.08619	6.6
109.06530	11.5
109.10169	4.1
111.04455	12.2
111.08079	2.2
113.09674	0.8
117.07030	1.7
119.08592	5.1
121.06477	1.3
121.10159	5.5
123.04391	0.8
123.08070	5.5
123.11706	2.1
125.06007	4.2
125.09629	1.7
131.08603	1.6
133.10133	5.5
135.08051	2.2
135.11714	6.4
137.05991	100.0
137.09601	1.7
137.13297	1.1
139.11150	0.8
143.08632	1.5
145.10121	2.5
147.08000	1.1
147.11684	6.1
149.09630	3.6
149.13263	2.8
151.07571	3.0
151.11165	1.1
157.10098	2.0
159.11778	1.3
161.09636	4.4
161.13284	2.0
163.11186	2.9
165.09157	2.2
165.12756	2.1
165.72350	0.9
169.10133	1.0
171.11693	1.8
173.13281	1.0
175.11220	3.6
175.14801	1.8
177.09158	1.0
179.10681	2.5
179.14311	1.7
185.13330	0.9
189.12801	1.2
189.16423	0.8
193.12239	1.3
203.12804	1.1
203.17963	3.8
213.16463	2.2
221.18954	1.3
223.14789	1.0
231.17467	7.9
241.15927	1.3
249.18504	10.6
259.20480	1.5
277.18045	64.7
277.21515	10.5
291.19614	2.2
295.19043	9.4
309.24661	3.9
309.29797	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	9.9
55.01876	26.9
55.05512	39.2
57.03433	8.3
57.07063	5.3
58.98209	2.2
59.82908	2.4
63.63873	2.4
65.03927	4.7
67.05508	100.0
69.03424	6.6
69.07066	32.7
69.19318	21.6
71.04993	13.6
71.08620	13.2
77.03892	2.4
78.95764	2.2
79.05495	56.9
81.03420	19.9
81.07060	97.3
83.01370	2.6
83.04992	17.2
83.08634	16.0
83.76582	2.2
85.06536	7.4
91.05483	57.6
93.07047	56.3
95.04976	17.2
95.08608	77.3
97.02921	3.0
97.06522	8.7
97.10171	9.0
99.04446	5.6
99.08091	16.4
105.04542	2.4
105.07040	58.1
105.07706	4.6
107.04976	14.2
107.08593	57.8
109.06511	15.3
109.10164	83.1
111.04447	10.0
111.08086	8.8
113.05978	3.4
115.05428	2.6
117.07025	10.9
119.08583	25.4
121.06514	9.1
121.10152	19.2
123.08079	29.2
123.11704	10.2
125.06037	2.6
125.09615	11.9
127.07597	6.4
128.06236	3.3
129.07036	7.0
129.78734	2.1
131.08600	18.5
133.06467	8.1
133.10139	89.1
135.08055	12.3
135.11716	7.8
137.06010	3.3
137.09657	8.1
139.07564	7.0
139.11229	3.4
143.08582	7.1
145.10094	12.8
147.08066	7.7
147.11691	9.8
149.09586	13.3
149.13361	2.8
151.11179	66.7
155.08447	2.7
156.25856	2.4
156.97479	2.6
157.10118	5.5
159.08090	2.6
159.11725	7.3
161.09618	13.5
161.13280	7.7
163.11157	7.9
165.09102	5.8
165.12779	4.2
167.10652	5.0
169.12210	18.7
171.11708	5.6
173.13258	2.8
174.98439	2.5
175.11172	6.7
175.14856	3.2
179.10725	4.9
179.14362	6.5
181.08562	3.0
181.12259	2.5
185.13284	3.2
187.11385	2.4
189.11313	2.4
189.12772	5.5
193.12170	3.7
195.11702	2.4
203.12802	4.4
203.14490	3.1
207.14015	3.9
209.11633	3.4
213.16310	2.7
215.12781	6.0
217.19333	3.0
227.17894	4.5
241.19485	2.8
245.18944	12.4
255.17397	4.1
259.20609	3.2
261.56799	2.4
263.20050	13.5
273.18503	39.9
277.21591	16.2
278.60709	2.2
281.10236	2.1
291.19525	73.6
301.01746	6.0
309.13361	5.8
309.20630	24.4
309.24258	12.8
333.90146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	1.1
55.01876	3.9
55.05515	19.4
57.03426	1.1
57.07076	0.8
59.05009	1.0
67.05506	14.3
69.03430	2.8
69.06731	0.9
69.07070	10.9
71.04991	1.3
71.08629	1.4
71.53257	0.7
78.11798	0.6
79.05495	14.1
81.03410	2.2
81.07064	16.1
83.04993	3.0
83.08622	10.5
85.02931	0.8
85.06534	0.9
91.05482	8.5
93.07048	12.1
95.01329	1.0
95.04971	4.7
95.08607	7.6
97.02887	1.2
97.06548	1.4
97.10178	17.3
99.08093	1.0
105.07034	8.3
107.04967	3.4
107.08600	7.5
109.02857	0.9
109.06539	1.4
109.10168	4.0
110.36355	0.6
111.04448	1.4
111.08073	1.4
117.07047	2.8
119.04925	0.7
119.08588	6.5
121.06525	1.9
121.10166	4.3
123.08082	5.4
123.11671	0.7
125.08764	1.0
125.09632	12.0
129.06999	1.8
131.08582	4.1
133.06505	2.3
133.10143	2.5
135.08070	3.1
135.11684	1.3
137.09608	1.8
143.08574	2.0
143.10669	1.1
145.10168	2.8
147.08066	2.9
147.11673	2.4
149.09651	1.2
149.13264	1.4
151.11198	1.4
153.09129	1.0
157.10100	1.4
159.11743	1.2
161.09605	1.3
161.13196	0.8
162.10344	0.8
163.11208	2.7
165.09103	2.5
169.12326	0.8
171.10236	1.1
171.11679	1.5
175.11234	1.3
177.12794	0.7
184.07350	0.9
185.13216	0.7
187.13342	0.6
189.11217	8.3
189.12738	0.9
191.10825	0.6
193.12183	1.0
205.12202	0.8
217.12291	0.6
221.11774	1.4
221.15411	0.9
223.13313	5.4
227.12831	0.7
245.19067	1.2
249.14807	1.0
255.17424	1.4
259.20502	0.7
263.20108	1.1
273.18491	10.0
277.21582	2.2
291.19547	100.0
292.19803	1.2
301.01849	0.8
309.20447	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01868	4.9
55.05506	4.3
57.03441	38.3
67.05507	28.5
69.03445	1.8
69.07069	2.8
69.35806	10.8
71.04997	3.8
74.49961	1.1
79.05498	12.1
81.07062	14.7
83.04984	2.1
83.08617	2.0
85.06548	33.8
89.50762	1.3
91.05499	10.5
93.07066	12.5
95.04975	42.8
95.08618	6.1
97.06549	2.2
100.15750	1.4
105.07032	8.7
107.04978	3.5
107.08601	8.7
109.06522	42.6
113.06015	100.0
117.07027	5.5
119.08591	3.7
121.06556	1.9
121.10197	2.2
123.08064	1.7
127.34884	1.2
129.07021	3.2
131.08578	8.3
133.10182	3.6
135.08066	32.7
135.09026	2.5
135.11667	1.9
143.08522	3.1
145.10153	5.6
147.08089	2.4
149.09607	3.5
157.10150	4.0
159.11732	3.6
159.68008	1.3
161.09657	4.5
177.12717	1.8
199.14914	2.4
201.12921	1.4
217.15886	13.1
223.32423	1.5
255.17354	2.7
273.18582	17.2
291.19556	47.7
309.16782	3.2
309.20343	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	4.7
55.01870	5.4
55.05272	1.4
55.05512	20.4
55.14685	1.1
57.03425	2.5
59.04989	1.9
64.04051	1.0
67.05197	1.7
67.05511	25.7
69.03421	2.6
69.07049	5.1
69.65751	6.7
71.04980	1.9
76.77059	1.1
77.03920	1.5
79.05493	43.2
79.24763	1.0
81.03393	2.1
81.07056	14.9
83.04987	2.8
83.08622	9.1
85.06516	1.0
89.37616	1.1
91.04911	1.5
91.05478	17.6
93.07051	19.6
95.04943	5.2
95.08609	8.7
97.06528	1.2
97.10187	12.6
98.21566	1.3
99.04472	1.2
103.05489	1.1
105.04561	1.1
105.07031	11.5
107.04960	100.0
107.08598	19.6
109.06470	2.3
109.10160	18.5
115.05437	1.4
117.07021	10.0
119.08578	21.4
121.06519	2.6
121.10126	8.3
123.08084	2.3
123.11636	1.3
125.09650	8.1
128.06227	1.3
129.07016	3.5
131.08569	5.1
133.06467	2.8
133.10101	3.7
135.08060	48.8
135.11664	2.7
137.09602	8.7
143.08597	2.5
145.10167	5.8
147.08040	7.2
147.11626	1.6
149.09550	4.5
149.13242	1.2
153.09129	1.3
155.10698	10.3
157.10100	5.0
159.08044	1.5
161.09622	2.6
163.11168	1.3
165.09109	4.1
171.11647	2.2
173.11722	16.0
175.11061	1.4
183.10107	3.3
189.11259	3.6
255.17598	2.5
263.20105	2.0
265.27130	1.2
273.18509	21.7
291.19565	34.5
309.20551	2.2
309.24005	1.4
323.50000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.90004	0.8
53.03938	3.6
55.01874	28.8
55.05517	9.4
57.03423	2.8
62.34760	0.8
65.03941	2.2
67.05508	23.1
69.03432	1.4
69.07082	8.9
70.17381	2.0
70.17780	1.7
71.04983	3.4
79.05076	1.0
79.05495	11.0
81.03428	7.9
81.07057	14.5
83.04983	27.9
83.08604	3.4
83.30819	0.9
85.02898	1.2
85.06538	1.2
91.05487	9.8
93.07060	14.3
95.04967	11.0
95.08618	9.6
97.06533	19.6
97.10165	2.7
98.21462	1.1
99.04459	20.1
99.08074	1.0
105.07025	6.2
107.04967	7.9
107.08605	9.3
109.06512	4.8
109.10155	7.4
111.04447	100.0
111.08074	2.8
117.06999	2.3
117.78976	0.8
119.08589	7.3
121.06499	3.6
121.10142	3.5
123.04434	1.0
123.08031	4.8
123.11692	1.0
125.09612	4.6
127.07612	1.0
129.07025	2.1
131.08560	4.6
133.06470	1.3
133.10138	6.5
135.08026	5.0
135.11673	2.0
137.09636	7.8
139.92879	1.1
141.07005	1.2
143.08559	1.5
145.06468	1.3
145.10097	2.7
147.08098	2.3
147.11682	2.0
149.09589	5.7
149.13197	1.3
151.07503	1.2
151.11188	1.7
153.07935	1.7
153.09123	24.0
155.10638	1.1
157.10110	3.6
159.11708	2.6
161.09601	6.9
163.11192	2.1
169.10204	1.0
171.11694	1.3
173.11702	2.2
175.11157	5.1
177.12747	1.4
179.10655	1.1
187.11128	1.0
189.12762	2.6
190.71410	0.9
193.12260	3.7
195.13715	1.7
199.14793	0.9
207.13947	1.3
209.75020	1.0
217.15836	2.1
221.11652	2.5
223.13284	1.1
227.18039	1.2
231.13809	1.0
245.18950	1.4
249.14789	1.2
255.17523	2.5
263.20178	5.4
267.15948	2.0
273.18515	14.9
291.19562	35.1
309.20599	25.7
319.89917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36901	1.1
53.03934	4.2
55.01875	8.4
55.05514	32.4
56.96569	1.4
57.03442	22.8
57.07060	1.4
65.03947	2.8
67.05508	40.9
69.03423	4.3
69.07079	7.1
69.33121	1.1
70.06601	1.3
71.01360	6.4
71.05013	5.5
71.53801	1.1
72.08154	1.1
79.05073	2.1
79.05499	31.6
79.18598	1.3
81.03424	29.8
81.07063	27.8
83.04987	7.2
83.08154	2.2
83.08628	37.1
84.08147	2.3
85.02909	3.1
85.06538	3.1
86.09695	3.4
87.04459	1.3
91.05484	25.2
93.07048	25.2
95.04976	90.8
95.08604	10.0
97.02881	3.2
97.06538	4.2
97.10159	7.0
98.09678	2.2
98.97591	5.0
99.04446	1.3
100.07605	1.7
100.11243	4.5
101.09666	5.9
103.03948	7.5
103.05489	2.3
105.00126	2.0
105.07037	18.3
107.04967	17.3
107.07888	1.6
107.08601	21.0
109.02889	13.5
109.06536	12.0
109.10162	5.9
111.04462	3.5
111.08080	4.5
115.05480	1.3
116.98643	1.9
117.07018	11.2
119.04965	5.4
119.08585	15.4
121.06489	6.5
121.10161	9.4
123.04436	70.3
123.08075	4.3
123.11725	1.2
125.09656	5.8
126.09186	3.0
128.06227	1.4
129.07016	10.6
130.16821	1.2
131.04941	2.6
131.08585	10.9
133.06500	3.3
133.10136	7.0
135.08084	5.4
135.11699	11.0
136.07571	4.4
137.05988	4.6
137.09589	2.4
139.03893	2.3
143.08598	6.6
145.06511	2.8
145.10141	18.8
147.04395	7.3
147.08073	7.6
147.11726	4.0
149.05934	1.4
149.09567	3.2
151.07585	1.4
153.09067	7.6
155.08557	2.0
157.10138	2.0
158.99704	2.3
159.11719	2.0
161.09692	2.6
161.13332	2.1
163.11183	24.2
165.12744	2.8
171.08124	1.4
171.10301	2.2
171.11665	9.5
173.09627	9.8
173.13327	1.2
175.11247	3.1
177.00745	1.5
178.89983	1.2
182.15431	15.2
189.11186	1.5
189.12744	12.6
191.10675	6.2
193.12283	1.6
199.11171	5.2
205.08932	5.2
205.12190	1.6
207.13823	22.3
210.14990	2.4
217.12241	11.6
219.01627	1.4
235.13313	73.3
245.15448	2.3
249.11208	1.3
253.14418	2.3
263.16458	2.4
273.14960	2.0
277.08743	1.3
291.16058	1.7
291.19678	1.6
309.17017	100.0
309.21527	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	309.1697
Annotation	Altamisin
Peak:m/z	Relative Intensity
53.03934	3.8
55.01871	9.0
55.05513	13.5
56.96558	1.3
57.03437	22.0
57.07075	1.5
59.04993	1.6
65.03932	3.7
66.28053	1.0
67.05508	39.4
69.03429	4.7
69.07066	8.5
69.44746	7.7
70.06577	0.9
71.01369	7.1
71.04981	3.9
79.05497	32.1
79.40499	0.9
81.03422	29.4
81.06591	1.4
81.07058	22.3
81.64066	1.1
83.04984	7.5
83.08616	6.8
85.02905	2.4
85.06532	2.4
86.09708	2.0
91.05485	21.0
93.06493	1.6
93.07048	25.0
95.04972	87.6
95.08605	9.5
97.02881	1.6
97.06532	4.7
97.10158	6.9
98.97549	1.0
99.08100	1.4
102.09160	2.5
103.03927	5.7
103.05444	2.6
105.07030	16.5
107.04961	15.3
107.08604	18.1
109.02888	12.4
109.06531	8.8
109.10150	3.6
111.04417	2.8
111.08062	3.7
115.05446	2.1
115.52593	1.0
116.98538	1.1
117.07006	10.3
119.04943	2.8
119.08583	12.7
121.06508	9.9
121.10133	7.9
123.04435	67.8
123.08060	3.3
125.05972	1.5
125.09648	5.5
128.06207	1.1
129.07025	8.1
130.07788	1.5
131.04997	2.2
131.08612	8.3
133.06488	2.8
133.10130	6.8
135.08028	6.3
135.11700	11.4
136.86157	0.9
137.06006	5.3
137.09618	1.4
139.03906	1.7
141.06931	1.2
142.07713	1.2
143.08582	6.3
145.06468	3.7
145.10117	19.4
146.05992	1.5
147.04416	2.5
147.08041	6.0
147.11714	6.4
149.05914	1.8
149.09610	4.5
151.07523	2.6
151.11131	1.1
153.09102	6.1
153.12686	1.5
155.08531	3.4
157.06558	1.4
157.10094	2.9
158.05122	1.0
161.09705	1.8
161.13271	2.4
163.11189	25.1
165.12779	2.3
171.11682	8.6
173.09636	10.2
175.07518	1.2
175.11206	1.9
177.05399	1.4
188.07106	1.7
189.11258	1.7
189.12773	12.5
191.10681	6.0
193.12137	1.5
199.11176	4.6
207.13799	20.8
211.08658	1.3
217.12233	12.3
219.13776	1.3
235.13295	72.0
239.08321	1.5
245.15326	2.2
253.09912	1.2
253.14386	2.2
263.16507	2.4
267.07419	2.2
273.14737	1.5
281.09042	2.1
291.19528	1.6
309.08841	4.1
309.16959	100.0
314.01636	1.1
327.09729	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1697
Annotation	Altamisin
Peak:m/z	Relative Intensity
51.02378	0.9
53.03941	3.5
55.01879	7.1
55.05267	1.1
55.05515	14.7
56.96567	1.0
57.03439	22.1
57.07082	0.9
59.04993	1.3
65.03937	3.2
67.05511	36.7
69.03437	4.2
69.07079	7.9
71.01356	7.8
71.04981	5.0
71.08631	1.6
71.53838	1.4
79.05497	31.9
81.03423	30.8
81.07063	24.9
83.04993	7.9
83.08624	7.5
85.02889	3.1
85.06521	2.3
86.09748	0.9
87.04478	1.2
91.05487	23.3
93.06482	1.6
93.07047	23.9
95.01334	0.8
95.04977	100.0
95.08621	10.0
97.02878	2.5
97.06540	5.6
97.10178	8.8
98.97572	3.0
98.98488	1.1
99.04470	1.4
99.08080	3.1
103.03940	7.6
103.05464	1.9
105.03421	1.6
105.04556	1.2
105.06313	0.9
105.07034	17.9
107.04965	17.3
107.08600	18.1
108.57776	0.8
109.02891	13.0
109.06529	9.6
109.10162	5.3
111.04459	3.9
111.08088	2.5
115.05447	1.8
116.06240	1.0
116.98627	1.3
117.07017	10.0
119.04945	3.3
119.08581	14.0
121.06509	8.0
121.10155	10.4
123.04438	76.6
123.08054	4.8
125.05988	1.3
125.09654	6.6
127.03937	1.1
128.06229	1.4
129.07022	9.2
131.04941	1.6
131.08572	9.5
133.06519	4.3
133.10139	8.4
135.04410	1.2
135.08075	7.7
135.11691	12.2
137.06035	5.3
137.09628	1.4
139.03899	1.5
141.06946	0.8
143.08559	6.2
145.06491	2.8
145.10132	19.2
146.06076	0.9
147.04408	5.6
147.08064	9.4
147.11716	5.9
149.05980	2.3
149.09639	4.7
151.07503	1.3
153.05388	1.4
153.09106	6.8
153.12759	1.5
155.08591	2.4
157.06464	1.2
157.10120	2.8
158.99623	0.9
159.11740	1.5
161.09628	1.5
161.13275	3.5
163.11192	29.1
165.12720	2.3
171.08066	1.3
171.11681	9.9
173.09637	10.5
173.13263	1.1
175.07544	1.1
177.05548	1.4
179.14326	1.5
181.10143	1.4
182.68535	1.0
185.13152	0.8
187.11139	0.9
189.07088	0.8
189.09113	1.2
189.11195	1.9
189.12733	14.2
191.10643	6.5
193.12280	2.1
199.11220	3.8
205.12193	1.9
207.13820	20.7
207.76733	0.8
209.11659	1.3
217.12250	11.9
219.13823	1.5
221.09683	1.3
235.13306	76.3
237.02827	0.8
245.15399	2.0
249.09105	1.3
249.14934	1.5
251.07193	1.1
253.09549	1.0
253.14381	2.9
261.15057	0.9
263.16391	3.3
273.14862	2.3
273.18481	1.0
281.11688	2.5
285.09949	0.9
291.15924	0.9
291.19461	2.7
309.11148	4.3
309.16968	99.6
310.17328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01874	3.7
55.05514	9.4
56.96561	1.9
57.03424	1.9
57.07066	2.6
65.03967	0.8
67.05507	19.1
69.03419	1.8
69.07072	8.0
71.04995	1.0
71.08635	8.0
71.54554	0.8
75.71814	0.6
79.05498	13.4
81.03429	4.6
81.07064	14.2
83.04981	4.1
83.08617	6.2
85.06552	2.1
85.10202	3.1
91.05486	9.1
93.07050	14.1
95.04978	6.7
95.08614	11.4
97.06532	2.6
97.10188	5.5
98.97606	0.8
99.04446	0.7
99.08095	9.7
105.07037	8.0
107.04963	4.0
107.08598	9.3
109.06503	2.9
109.10153	6.3
111.04427	3.2
111.08094	2.6
113.06002	2.8
113.09663	5.2
117.06999	3.6
119.08578	6.2
121.06511	1.6
121.10128	5.2
123.08051	3.3
123.11706	1.5
125.09632	4.7
129.07019	1.7
131.08586	3.4
133.10149	4.6
135.08073	3.9
135.11705	5.1
137.09615	1.9
139.07521	0.8
139.11192	0.7
141.09111	0.6
143.08559	1.6
143.90129	0.6
145.10143	3.8
147.08051	1.3
147.11725	2.1
149.09610	2.4
149.13277	2.4
151.11203	6.0
153.09146	2.4
153.12746	0.8
157.10124	1.7
159.11728	1.6
161.09669	1.3
161.13310	3.8
163.11185	3.9
165.12776	4.5
165.28275	0.6
171.11696	2.0
173.13248	0.8
175.11211	1.2
175.14854	1.7
177.12726	0.9
179.14296	3.7
185.13272	1.1
189.11240	1.1
189.12799	1.3
193.12244	1.3
193.15945	1.0
199.14873	0.9
203.12762	3.3
203.14456	0.9
217.19498	0.9
221.15347	1.5
222.07304	0.8
231.21054	0.8
235.16983	0.8
237.00722	1.0
241.19572	2.8
249.22322	0.9
255.17314	1.1
259.20584	3.2
273.18445	2.0
277.21628	23.8
291.19614	6.8
291.23270	1.7
309.16742	100.0
309.23947	4.4
310.17065	0.7
313.59314	0.6
333.44119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01874	3.7
55.05514	9.4
56.96561	1.9
57.03424	1.9
57.07066	2.6
65.03967	0.8
67.05507	19.1
69.03419	1.8
69.07072	8.0
71.04995	1.0
71.08635	8.0
71.54554	0.8
75.71814	0.6
79.05498	13.4
81.03429	4.6
81.07064	14.2
83.04981	4.1
83.08617	6.2
85.06552	2.1
85.10202	3.1
91.05486	9.1
93.07050	14.1
95.04978	6.7
95.08614	11.4
97.06532	2.6
97.10188	5.5
98.97606	0.8
99.04446	0.7
99.08095	9.7
105.07037	8.0
107.04963	4.0
107.08598	9.3
109.06503	2.9
109.10153	6.3
111.04427	3.2
111.08094	2.6
113.06002	2.8
113.09663	5.2
117.06999	3.6
119.08578	6.2
121.06511	1.6
121.10128	5.2
123.08051	3.3
123.11706	1.5
125.09632	4.7
129.07019	1.7
131.08586	3.4
133.10149	4.6
135.08073	3.9
135.11705	5.1
137.09615	1.9
139.07521	0.8
139.11192	0.7
141.09111	0.6
143.08559	1.6
143.90129	0.6
145.10143	3.8
147.08051	1.3
147.11725	2.1
149.09610	2.4
149.13277	2.4
151.11203	6.0
153.09146	2.4
153.12746	0.8
157.10124	1.7
159.11728	1.6
161.09669	1.3
161.13310	3.8
163.11185	3.9
165.12776	4.5
165.28275	0.6
171.11696	2.0
173.13248	0.8
175.11211	1.2
175.14854	1.7
177.12726	0.9
179.14296	3.7
185.13272	1.1
189.11240	1.1
189.12799	1.3
193.12244	1.3
193.15945	1.0
199.14873	0.9
203.12762	3.3
203.14456	0.9
217.19498	0.9
221.15347	1.5
222.07304	0.8
231.21054	0.8
235.16983	0.8
237.00722	1.0
241.19572	2.8
249.22322	0.9
255.17314	1.1
259.20584	3.2
273.18445	2.0
277.21628	23.8
291.19614	6.8
291.23270	1.7
309.16742	100.0
309.23947	4.4
310.17065	0.7
313.59314	0.6
333.44119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00383	1.7
53.03942	3.1
55.01865	8.9
55.05515	55.7
56.96571	9.7
57.03423	6.6
59.05006	100.0
61.19412	1.6
61.23561	2.2
67.05506	23.3
69.03421	6.1
69.07069	10.9
69.70358	11.6
70.98100	3.9
71.04995	10.6
79.05502	14.6
79.68285	1.9
81.03405	4.7
81.07059	21.1
83.04996	5.2
83.08624	31.7
85.02904	3.7
86.09662	1.8
87.04478	60.4
91.05470	5.9
93.07043	6.5
95.04964	3.9
95.08591	7.5
97.06565	3.3
97.10179	53.7
98.20855	3.8
99.04492	19.1
104.10738	3.2
105.07021	3.8
107.04952	2.0
107.08614	13.2
109.10163	11.8
117.07005	2.6
119.08550	4.7
121.06515	2.3
121.10117	2.7
123.08112	3.1
124.99998	2.2
125.08775	3.5
125.09646	52.8
129.52483	3.6
131.08536	3.4
138.52974	5.1
145.10114	3.4
150.94118	1.7
153.12697	3.3
155.10684	11.8
157.12279	4.8
157.53772	3.6
163.11220	9.6
173.09567	1.9
173.11758	18.6
174.13676	1.9
184.07396	3.8
187.13277	14.1
191.10732	2.1
197.04932	2.0
209.11853	2.3
215.05905	2.6
223.13347	4.9
240.09998	3.2
267.09143	4.5
276.20328	6.7
278.63882	11.7
285.10156	22.8
287.64383	4.5
303.11084	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	308.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
55.89433	0.8
56.96561	1.6
67.05492	1.2
69.03419	1.6
69.07063	1.1
70.06599	4.0
71.04992	0.7
71.53228	0.9
72.08139	1.8
79.05465	0.9
84.04475	1.7
84.08150	4.2
85.02900	2.9
86.09701	2.9
90.05538	0.8
91.05484	2.1
93.07045	4.7
95.08605	1.0
97.02871	1.7
98.97607	2.1
103.05464	4.0
105.03405	6.6
107.04935	1.2
111.08083	2.3
114.05527	2.1
116.07119	1.2
120.08109	100.0
121.02902	1.2
129.10257	1.5
130.06544	6.0
131.00220	0.9
132.04453	0.7
136.07529	0.6
147.04462	0.8
155.10869	0.7
158.06047	3.8
158.08127	1.5
161.09200	5.1
176.07079	3.0
177.00677	0.8
180.73071	0.8
184.07356	1.2
187.02805	1.7
191.11797	24.9
200.58434	0.8
204.06526	1.1
205.03865	1.6
214.34007	0.7
219.11305	17.9
222.07715	1.3
237.12355	1.2
308.07654	0.9
308.11301	2.8
308.15201	3.9
328.75137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80970	0.3
55.01796	0.4
55.05424	0.7
56.96460	14.3
56.96777	4.3
57.03370	0.6
59.93121	0.3
67.05383	1.0
67.05717	0.6
67.26986	0.4
69.06953	1.1
70.07291	0.3
71.54188	0.3
71.95142	0.9
71.95502	0.4
72.95963	0.7
73.02827	0.3
75.80609	0.3
79.05392	0.8
81.03319	0.3
81.06934	1.8
82.07294	0.7
83.04861	0.5
84.08035	0.3
84.95916	1.0
85.02823	0.7
85.06454	0.4
86.05989	0.4
91.05385	0.8
92.05690	0.3
93.06918	1.1
93.07449	0.4
95.04852	0.9
95.08495	1.3
96.05208	0.5
97.02814	0.3
97.06435	0.7
98.97459	2.6
105.00096	0.5
105.06913	1.2
106.07259	0.5
107.04882	0.4
107.08459	1.1
108.08836	0.4
109.06390	0.9
109.10033	0.8
110.10422	0.3
110.97497	0.7
112.99047	0.3
113.05867	1.2
114.06266	0.3
115.00565	0.9
116.98521	0.8
119.01661	0.7
119.08447	0.9
120.08775	0.5
121.06429	0.6
121.10048	0.5
123.01141	0.4
123.07922	0.5
123.11605	0.4
124.08277	0.4
127.00597	0.5
128.98518	0.4
131.00067	0.4
131.08476	0.5
133.10016	0.5
135.08009	0.3
137.02615	1.2
139.00690	2.5
141.02109	0.8
142.99992	0.4
145.01591	0.4
146.99551	0.4
151.00565	1.0
153.02229	1.7
155.03714	0.6
157.01788	1.8
158.99519	0.6
159.03246	0.7
161.01166	0.4
163.03857	0.4
165.02220	0.7
167.03806	2.0
169.01625	1.0
171.03294	2.3
173.01181	0.4
173.04642	0.7
175.02666	0.6
177.00685	0.5
181.05292	0.7
183.03210	1.0
185.03265	0.4
185.04863	6.6
187.02721	0.5
187.06284	0.4
189.04224	0.6
193.05251	1.0
195.06847	0.9
197.04796	0.8
199.06361	0.8
201.04222	0.4
203.04004	0.4
203.05910	6.6
205.05394	0.5
208.06493	0.4
211.06441	2.2
213.07841	0.8
215.05824	0.5
217.07503	0.8
219.06938	0.8
221.08632	0.7
223.06340	1.8
224.06232	0.6
225.04199	0.4
225.07928	0.5
227.05618	0.4
229.07492	1.6
231.06934	2.5
236.13597	0.4
237.08041	2.2
239.09521	0.7
241.07489	1.5
241.11124	0.5
249.07957	6.8
253.07504	0.6
255.09056	1.3
259.09711	0.4
267.09042	76.2
268.09396	0.7
272.17117	0.6
285.10098	100.0
286.10449	0.5
290.10657	4.7
290.18286	1.3
299.11481	2.0
303.11099	2.6
308.11755	11.4
308.19284	1.2
308.22635	0.5
308.26593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
53.76570	1.7
55.01874	25.2
55.05511	23.7
56.02827	1.7
57.03445	3.5
57.07078	1.6
65.03928	3.8
67.05508	34.9
69.03432	3.5
69.07069	19.7
69.38995	13.8
71.05013	2.4
72.17100	1.8
75.88958	1.6
79.05499	42.2
81.03424	4.5
81.07060	43.8
83.04981	6.7
83.08641	12.9
85.06549	3.1
91.05486	32.0
93.07049	33.2
95.04948	9.6
95.08613	23.5
97.06544	36.1
97.10162	17.4
105.07039	36.4
105.07710	3.5
107.04950	12.7
107.08602	78.3
109.06528	12.8
109.10184	11.0
111.08086	4.1
117.07008	11.3
119.08583	25.2
121.06525	4.9
121.10153	14.0
123.08051	4.7
123.11758	4.4
125.09635	18.4
129.07010	2.9
131.08594	12.3
133.06488	1.9
133.10130	21.3
135.08049	7.7
135.11673	8.4
137.09650	4.3
143.08557	4.6
145.10117	18.3
147.11703	16.5
149.09615	20.8
149.13219	2.1
151.11205	4.5
153.09164	6.3
157.10129	3.9
157.12303	1.6
159.11719	10.9
161.09717	2.4
161.13293	6.3
163.11189	8.5
165.09196	2.6
169.10129	2.8
171.11732	4.9
173.13293	6.5
177.12750	6.2
181.12328	2.2
185.13217	2.3
187.11183	2.2
197.13179	2.1
203.12776	20.4
203.14503	1.9
219.17506	3.2
229.19534	2.7
235.17117	1.9
239.18001	7.7
247.20628	6.1
257.19049	14.7
275.20071	100.0
289.21664	12.4
307.22736	23.1
307.28220	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03938	3.3
55.01874	14.4
55.05513	35.8
55.66756	2.2
57.03433	4.0
65.03951	2.4
67.05511	47.3
69.03423	6.1
69.07075	18.5
69.39015	18.2
71.05000	5.5
79.05494	55.6
81.03429	4.0
81.07061	43.9
83.04980	8.7
83.08611	19.6
85.06554	3.2
88.70281	2.5
91.05490	51.1
93.07045	42.8
95.04971	12.1
95.08614	31.9
97.06532	16.7
97.10175	29.1
98.06058	2.4
99.08104	3.0
105.07040	46.5
107.04967	11.2
107.08597	98.2
109.06521	10.7
109.10155	17.6
111.08073	9.4
117.07025	12.3
119.08588	28.4
121.06487	4.9
121.10147	23.6
123.08052	5.5
123.11709	3.0
124.65610	2.3
125.09631	28.4
129.06999	3.1
130.10202	2.3
131.08553	17.9
133.10152	27.5
135.08055	8.0
135.11702	8.2
137.09610	15.2
139.11176	5.8
143.08539	3.3
144.54504	2.6
145.10152	18.2
147.11723	15.6
149.09654	28.6
151.11215	4.3
153.09120	7.9
157.10126	4.2
157.12183	3.8
159.11722	15.0
161.13292	6.9
163.11197	7.5
165.12709	4.1
171.11557	5.1
173.13239	7.3
177.12773	2.6
181.12318	3.1
183.11761	4.1
197.13327	5.5
203.12781	28.1
229.19513	4.6
239.17924	10.2
247.20644	6.6
257.19077	20.0
274.37347	2.4
275.20068	100.0
283.55829	2.3
289.21606	21.3
307.22678	34.6
307.28122	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.2
55.01871	16.1
55.05511	24.5
57.07069	3.1
59.04993	4.5
59.26018	2.2
61.10986	2.6
67.05504	40.3
69.07066	36.0
71.04981	3.8
71.29560	5.2
79.05498	35.0
81.03427	15.0
81.07059	56.0
83.04977	8.1
83.08618	14.6
85.06516	3.2
91.04911	3.5
91.05482	59.8
93.07039	39.0
93.98779	3.0
95.04950	15.1
95.08605	41.0
97.06538	24.3
97.10168	10.8
99.50349	2.3
105.07035	50.2
107.04960	21.0
107.08605	23.2
109.06527	7.0
109.10152	10.7
111.08096	3.9
117.07040	30.5
119.08583	22.3
121.06518	10.1
121.10182	16.0
123.08073	8.7
125.09630	8.2
129.07028	5.3
131.08556	32.9
133.10121	28.0
135.11691	13.6
137.09634	3.3
138.06233	3.1
143.08566	6.9
145.06529	4.4
145.10153	14.4
147.11670	16.6
149.09642	12.6
149.13280	9.0
151.11195	5.3
157.10176	6.3
159.11684	28.5
161.09621	2.6
161.13306	3.3
163.11220	4.5
165.09093	3.5
165.12762	3.3
169.10147	4.8
171.11629	3.5
173.13315	4.1
175.11095	2.4
177.12798	14.2
179.14340	5.4
187.11057	6.1
195.13837	2.8
199.14912	3.4
203.12828	3.0
217.15895	11.0
226.86317	2.6
229.19527	3.6
239.17911	6.4
247.20601	4.5
257.19049	9.8
275.20041	69.8
289.21573	5.6
307.22708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	2.9
55.01869	14.7
55.05511	27.3
57.03431	2.8
65.03944	2.3
66.14821	1.3
67.05506	24.8
69.03414	3.6
69.07072	12.1
69.16123	7.0
69.16544	4.4
71.04977	2.1
79.05494	51.0
81.03394	1.3
81.07053	29.7
83.04974	6.0
83.08619	12.7
85.06528	1.4
91.05486	29.2
93.07045	22.1
95.04960	5.2
95.08610	17.1
97.06531	18.3
97.10167	22.8
102.46763	1.1
105.07034	29.4
107.04967	10.8
107.08595	100.0
109.06516	9.2
109.10169	9.5
111.08082	2.8
117.07016	5.5
119.06082	2.2
119.08587	16.0
121.06509	2.6
121.10127	11.2
123.08063	4.8
123.11732	2.1
124.78254	1.1
125.08766	2.2
125.09624	27.0
131.08575	9.0
133.10130	16.0
135.08057	8.5
135.11691	5.3
137.09608	3.0
143.08578	2.6
145.10118	15.6
147.11691	13.8
149.09624	18.2
149.13290	2.2
151.11166	2.6
153.09111	5.9
153.12675	1.3
157.10121	3.5
157.12277	2.6
159.11703	7.1
160.82726	1.2
161.09674	1.8
161.13254	3.7
163.11208	7.0
165.09114	1.9
165.12721	2.3
171.11700	2.5
173.13278	5.0
175.11206	2.1
177.12727	3.0
179.14334	1.6
181.12236	2.7
183.11694	1.7
185.13295	1.7
187.11131	2.3
187.14801	1.6
197.13226	1.6
201.16481	1.3
203.12773	24.8
203.14549	1.9
219.17465	3.1
229.19522	3.5
233.19044	1.3
235.16983	1.3
239.17949	6.5
247.20543	3.0
256.38553	1.1
257.19012	14.7
275.20062	80.2
289.21619	15.8
307.22662	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	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03951	1.9
55.01863	5.0
55.05515	14.9
57.07063	2.9
58.78497	1.0
60.00718	1.1
61.77828	1.0
67.05512	26.5
69.03427	1.6
69.07076	18.0
69.79079	6.3
71.04993	2.7
78.21729	1.1
79.05494	15.0
81.03423	2.7
81.06599	1.5
81.07063	27.2
83.04996	8.2
83.08640	6.2
85.06525	3.1
91.05485	18.0
93.07053	20.8
95.04980	9.2
95.08061	1.9
95.08611	19.9
97.06526	4.4
97.10139	2.0
105.07038	22.1
107.04972	6.0
107.08605	15.2
108.68505	1.0
109.06520	9.5
109.10180	7.9
111.08089	1.5
117.06996	6.2
117.77025	1.1
119.08596	11.7
121.06508	8.3
121.10160	9.9
123.08047	5.9
123.11672	2.1
125.09637	2.2
129.07069	1.4
131.08571	15.7
133.06464	2.6
133.10139	15.2
135.08035	5.2
135.11659	6.0
137.09636	4.2
143.08595	3.2
145.10144	10.9
147.08064	3.2
147.11687	9.7
149.09608	3.6
149.13223	2.3
151.11224	7.6
151.12311	1.8
155.08594	2.0
157.10150	3.7
157.50864	1.1
159.08023	1.7
159.11702	5.0
161.09648	1.3
161.13274	2.8
162.73314	1.1
163.11223	7.0
165.09067	1.5
169.10158	1.3
171.11742	1.7
173.09633	1.4
173.13263	5.9
175.11215	2.4
177.12720	1.3
183.11697	1.5
185.13240	1.4
187.11211	1.9
189.12848	2.2
191.14336	3.3
197.13234	2.4
201.12625	1.9
207.13867	2.5
215.14366	1.1
215.18051	1.4
219.13847	4.1
229.19530	2.6
231.17455	1.7
233.15550	1.2
233.96411	1.0
239.18059	2.9
247.20639	3.7
257.18988	12.8
275.20078	100.0
280.57883	1.1
286.82001	1.3
289.21622	4.1
295.69876	1.2
307.22690	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03935	4.3
55.01640	1.9
55.01876	22.8
55.05516	27.1
57.00925	1.3
57.03428	2.2
61.42821	1.3
63.15040	1.1
65.03921	2.3
66.09254	1.3
67.05508	31.2
69.03414	4.3
69.07069	18.6
69.85122	3.0
69.85539	3.2
71.04977	2.4
79.05497	48.5
81.03408	5.4
81.07061	38.4
83.04974	5.4
83.08620	13.2
83.35076	1.1
85.06534	3.5
91.05483	32.8
93.07048	31.9
95.04982	9.5
95.08611	26.7
97.06534	31.2
97.10172	17.0
103.05448	1.7
105.07037	35.5
107.04951	12.9
107.08603	82.0
109.06519	8.5
109.10169	11.6
111.08110	5.7
117.07021	10.2
119.06089	1.4
119.08592	22.2
121.06507	6.5
121.10156	15.7
123.04419	1.5
123.08100	6.3
123.11723	4.0
123.15590	1.3
125.09644	23.5
129.07005	2.9
131.08566	15.6
133.10133	21.4
135.08052	9.7
135.11702	8.4
137.06015	4.5
137.09599	4.9
138.06320	3.7
139.11201	1.3
141.06984	1.6
143.08572	3.8
145.10121	17.5
147.08028	1.5
147.11690	17.7
149.09621	22.0
149.13220	4.5
151.11218	8.8
151.53438	1.4
153.09070	4.8
153.12724	1.4
155.08562	2.9
157.10095	4.1
157.12202	2.9
159.11685	12.3
161.13229	5.3
163.11209	8.0
165.09134	2.4
165.12698	2.3
169.10095	2.2
171.11665	4.9
173.11937	1.2
173.13225	7.3
175.11205	3.6
175.14886	1.5
176.28769	1.2
177.12727	5.2
181.12228	2.5
183.11635	2.7
185.13237	3.2
187.11197	3.0
187.14828	1.7
191.14355	2.1
197.13257	4.4
201.12773	2.7
203.12762	14.1
207.13905	1.3
211.14798	1.2
219.17467	2.5
229.19495	5.4
239.17931	5.6
247.20650	5.9
257.19040	16.0
268.00787	1.3
269.14313	1.3
275.20068	100.0
289.18060	5.0
289.21558	12.1
307.22812	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28541	1.5
53.03931	5.5
55.01871	14.7
55.05270	2.2
55.05510	26.0
55.92661	1.3
57.03439	6.8
65.03948	2.9
66.08914	1.5
67.05506	41.7
67.32533	1.2
69.03405	4.2
69.07070	18.6
69.83093	4.0
69.83498	3.0
71.04981	10.3
79.05496	42.5
81.03419	8.8
81.07058	54.4
82.46107	1.3
83.04971	6.5
83.08621	13.6
85.06528	4.5
91.05489	32.2
93.07050	35.4
95.04964	21.2
95.08062	2.4
95.08611	27.3
96.82396	1.4
97.06532	20.8
97.10164	13.9
99.04475	3.1
105.04482	2.0
105.07034	36.3
107.04965	17.8
107.07886	2.5
107.08595	49.8
109.06527	22.3
109.10142	10.5
111.08102	8.1
115.05450	1.9
117.07012	12.1
119.08590	24.8
121.06503	9.8
121.10155	14.9
123.08064	8.8
123.11670	3.4
125.05978	2.0
125.09650	13.6
128.06238	2.1
129.07018	3.8
130.09077	1.3
131.08551	18.0
133.06453	2.2
133.10133	22.0
135.08069	10.7
135.11693	10.9
137.06015	2.0
137.09596	7.8
139.11198	1.9
141.06976	1.9
143.08609	3.6
145.10139	18.0
147.08035	2.5
147.11699	14.2
149.09648	15.1
149.13237	4.3
151.11180	5.2
153.09146	2.4
155.08557	2.6
157.10072	3.8
158.10783	1.5
159.11652	9.1
161.09599	3.0
161.13268	4.8
163.11186	8.8
165.09109	5.5
165.12747	4.5
169.10133	2.0
171.11664	5.1
171.83685	1.6
173.09637	2.2
173.13257	4.8
175.11188	4.0
177.12695	2.9
179.10699	1.6
179.14293	3.2
183.11722	2.2
185.13208	2.1
187.11156	1.7
187.14960	1.8
189.12769	3.6
191.14386	1.6
193.12149	1.7
197.13214	3.2
199.14848	1.8
203.12776	7.8
205.15851	4.8
215.17989	1.4
217.12363	1.6
219.17432	3.5
221.79855	1.3
229.19510	4.0
233.15433	2.6
235.13332	4.2
239.17976	4.7
247.20676	6.8
257.19046	12.9
271.17084	2.7
271.24841	1.5
275.20074	100.0
289.17978	6.3
289.21600	8.0
307.19113	4.1
307.22672	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.54896	1.7
53.03939	6.3
54.25048	1.4
55.01872	18.4
55.05515	36.6
57.03417	4.5
65.03926	3.3
67.05509	39.5
69.03426	4.2
69.06738	1.8
69.07070	19.5
71.04346	4.0
71.04973	2.8
77.03909	2.6
77.97724	1.4
79.05498	52.3
81.03427	10.6
81.06591	2.6
81.07061	50.8
83.04977	6.5
83.08620	17.9
85.06542	3.4
91.05489	31.5
93.07049	37.1
95.04971	13.4
95.08057	2.4
95.08612	26.3
97.06541	24.6
97.10167	18.1
99.08075	2.2
105.07035	38.2
107.04960	21.9
107.08598	70.7
107.53087	1.4
108.75072	1.3
109.06512	13.8
109.10172	13.5
111.08083	5.5
117.07034	9.8
119.08579	23.9
121.06512	10.7
121.10164	15.8
123.08067	6.8
123.11695	3.3
125.09640	23.1
128.06189	1.5
129.07036	5.0
131.08582	16.2
133.06476	2.5
133.10133	22.9
135.08063	11.7
135.11667	11.5
137.09567	5.4
139.11182	3.5
141.07024	1.7
143.08551	3.0
145.10146	19.0
147.11691	11.4
149.09636	22.1
149.13246	3.8
149.70139	1.5
151.11192	6.4
153.09145	3.4
155.08589	3.9
157.10170	3.1
159.08081	2.8
159.11693	13.0
161.09608	1.7
161.13263	5.7
163.11211	12.3
165.09128	5.3
167.10692	2.7
168.11836	1.8
169.10149	3.8
171.11644	4.2
173.09637	2.0
173.13287	8.7
175.11165	5.6
177.12727	4.1
181.12196	1.6
183.11710	3.2
185.13237	3.2
187.11244	3.7
189.12752	1.9
191.14333	2.1
197.13234	4.6
203.12778	17.2
203.17935	1.7
205.12210	1.9
205.15851	2.1
217.14343	2.0
229.19507	2.4
233.15376	2.3
235.13239	2.0
237.14951	1.7
239.17973	6.7
247.20552	5.0
257.18994	16.8
275.20065	100.0
284.09482	2.1
289.17990	10.9
289.21585	9.5
307.19431	2.5
307.22687	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03936	4.5
55.01876	13.0
55.05513	44.9
56.96557	3.0
57.03440	30.9
64.68818	1.5
67.05180	2.6
67.05508	31.9
69.03421	3.9
69.07055	8.5
70.78659	4.3
71.04981	2.4
79.05497	34.6
81.03410	5.4
81.07066	22.9
83.04978	5.5
83.08617	16.2
86.09711	2.7
91.05483	22.7
93.07043	17.2
94.78142	1.5
95.04975	11.6
95.08614	8.9
97.06516	4.8
97.10181	21.8
105.07035	16.5
107.04967	24.9
107.08597	25.0
109.06517	12.1
109.10143	10.5
111.08087	3.1
115.05465	4.1
117.07022	13.8
119.08576	17.0
121.06539	11.1
121.10120	5.9
123.04394	2.8
123.08046	2.9
124.99976	2.5
125.09641	18.4
129.06999	6.1
131.04929	3.1
131.08553	7.4
133.06516	5.9
133.10114	5.5
135.08055	19.0
135.11743	2.1
137.09610	5.1
141.07016	2.4
143.08565	3.3
145.06477	4.7
145.10104	4.9
147.08099	9.8
147.11652	3.8
149.05992	3.6
149.09593	4.4
153.09113	6.9
155.08519	3.5
157.10075	2.9
159.08057	50.5
159.11734	1.9
161.09584	5.5
163.07561	6.7
163.11208	2.2
165.09120	3.7
169.10219	2.6
171.10213	2.6
171.11673	3.0
173.09618	6.0
173.13327	2.7
175.11203	2.5
177.09119	5.4
185.09642	7.1
187.14844	3.6
189.09663	2.1
189.11195	11.1
189.12668	2.5
193.12291	2.7
197.09753	2.8
197.13258	2.1
199.11157	2.4
215.14308	14.1
229.11934	1.8
233.15366	19.7
240.09921	2.3
243.17503	7.2
253.15909	8.6
253.59741	2.3
261.18677	3.7
271.16959	36.4
275.20190	5.5
286.63559	3.0
289.17987	100.0
307.18637	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01871	7.4
55.05515	18.4
56.96305	1.7
56.96568	30.7
57.03438	17.1
57.07069	3.1
59.04991	2.5
60.84109	1.3
63.53420	1.2
65.03945	1.9
67.05510	32.5
69.03426	4.8
69.07076	20.4
70.12090	4.9
71.04983	5.4
77.97422	1.3
79.05499	24.0
81.03429	5.7
81.07056	34.4
83.04985	9.3
83.08637	7.6
84.96053	2.7
85.02914	2.7
85.06542	4.8
89.03940	1.7
90.98283	1.3
91.04961	2.2
91.05489	20.7
93.07049	27.2
95.04974	17.8
95.08613	35.7
97.02876	1.7
97.06532	47.6
97.10169	5.0
98.06804	2.8
98.97582	7.7
98.98472	1.5
99.04496	2.0
99.08094	3.7
101.06015	1.8
103.05505	1.5
105.07037	20.2
107.04974	6.6
107.08606	19.2
109.06523	94.9
109.10162	15.2
111.04441	3.0
111.08101	9.0
112.99134	2.3
113.06001	3.6
115.05440	1.8
116.98626	2.3
117.03389	2.7
117.07005	10.3
119.08600	16.8
121.06506	10.0
121.10143	12.3
123.04418	2.3
123.08075	100.0
123.11703	5.9
124.99127	14.1
125.06004	2.9
125.09644	6.6
127.07588	1.5
127.35316	1.3
128.06204	2.2
129.07010	8.8
131.00151	1.6
131.08582	15.8
133.06491	3.6
133.10133	11.5
135.04434	4.3
135.08049	7.4
135.11748	6.3
136.57460	1.2
137.09630	4.2
137.13277	2.9
139.03905	2.3
139.07481	1.4
141.07002	2.8
143.00165	22.1
143.08574	6.2
145.02853	3.7
145.06483	1.9
145.10118	6.8
147.08057	4.2
147.11696	5.4
149.05988	1.5
149.09676	7.8
149.13298	7.3
151.00616	1.8
151.07555	2.6
151.11130	3.4
152.33611	1.2
152.98564	1.4
155.08617	7.1
156.09363	1.3
157.10173	7.7
159.03304	2.2
159.08043	8.2
159.11703	5.1
161.01222	10.0
161.02388	3.9
161.09622	7.3
163.03908	24.9
163.07518	2.3
163.11166	4.4
164.04248	2.3
165.09221	2.0
165.12819	1.8
166.07767	1.9
167.00140	1.5
167.03574	2.9
167.10686	2.3
167.53790	1.5
169.01697	2.0
169.10130	3.5
170.99655	4.6
171.11681	6.6
173.01170	1.4
173.02377	10.3
173.09636	7.0
173.13234	3.0
174.02573	1.2
175.11226	3.6
176.04115	3.7
178.54349	1.5
179.10687	3.5
181.10120	4.0
183.11729	3.0
185.01239	10.7
185.09583	3.5
187.02783	2.4
187.11223	3.8
187.14775	2.2
189.00746	8.3
189.11212	1.5
189.12761	3.1
191.10645	1.6
191.14381	1.5
193.10178	1.5
193.12198	3.6
197.09529	1.6
197.13254	5.7
199.11165	8.3
203.02353	3.8
203.10646	1.7
209.13368	1.7
211.11195	1.4
213.00694	3.8
215.07040	16.0
215.14307	10.0
216.07451	2.6
217.12250	14.2
219.08112	1.4
222.05370	2.2
225.16391	3.2
227.04672	1.7
231.01816	10.7
233.15446	6.5
235.13249	4.1
236.05173	7.1
236.55386	1.5
237.00787	1.9
243.17491	2.6
245.05730	10.4
245.55891	2.1
249.02850	17.7
253.13599	1.5
253.15837	7.9
254.03531	3.1
254.06221	12.7
254.56468	5.5
259.09683	55.9
260.09976	8.8
261.18393	2.6
265.57001	3.9
266.07468	1.7
267.03906	19.9
267.08795	1.4
268.04172	1.4
271.16931	13.2
272.04404	6.8
275.20029	2.0
285.05023	10.3
289.17978	43.4
289.25061	2.4
290.05441	8.9
307.09622	5.0
307.15408	2.6
307.18997	23.4
307.26312	8.9
308.06415	1.6
313.07034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	2.5
58.06605	4.3
69.07114	0.7
70.06629	0.4
70.75253	0.5
70.75587	1.0
75.02717	0.5
79.17480	0.4
84.04513	26.8
84.08149	100.0
86.06075	6.5
86.09710	5.8
88.04012	2.8
95.08598	0.5
96.52974	0.4
98.21493	0.6
103.48427	0.5
113.95000	0.4
114.12828	0.5
130.08691	1.2
141.13872	6.8
144.10239	0.7
146.05954	0.5
157.04118	0.4
169.13388	9.0
198.11272	1.1
215.13925	43.2
243.17062	55.5
262.11041	3.6
276.80719	0.4
307.16849	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	307.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05480	0.5
57.03427	0.3
57.07050	0.5
58.71077	0.2
65.03895	0.2
67.05480	0.5
69.07047	0.4
70.93208	0.4
71.05000	0.2
78.04701	1.1
79.05479	1.2
81.03393	0.3
81.07019	0.7
84.48402	0.2
85.06554	0.3
89.03867	0.2
91.05473	0.9
93.07023	0.3
95.04968	0.4
95.08581	0.6
96.94328	0.2
97.06496	0.3
97.10149	0.2
105.03358	0.6
105.07036	0.4
106.04151	0.7
107.04961	10.7
107.08604	0.4
109.10159	0.4
118.83924	0.2
119.04924	0.2
119.08539	0.3
121.06511	0.2
123.04427	0.2
125.09663	0.2
133.02859	0.3
133.10110	0.2
134.03642	2.0
135.03438	0.3
135.04427	3.3
137.05928	0.2
145.02855	0.4
145.03947	0.6
147.04294	0.2
149.40405	0.2
159.08064	0.3
159.11639	0.2
162.03133	10.8
163.03915	6.7
163.40898	0.2
167.07054	0.7
173.09576	0.2
178.02583	0.4
179.03389	3.2
179.07030	0.3
180.04190	1.2
190.02621	16.8
191.03398	0.8
193.01334	1.1
194.02151	1.0
195.06511	1.3
207.02904	5.7
207.04448	0.2
208.03676	11.5
223.06020	100.0
224.06360	0.3
275.09235	0.3
275.20328	0.2
289.17987	0.8
307.11783	15.3
307.19055	0.6
307.26553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01839	0.9
55.05511	3.8
56.05005	0.4
56.96542	0.8
57.03437	1.8
57.07080	4.5
58.06568	0.3
59.05002	8.1
62.40842	0.3
67.05508	4.1
69.03397	0.8
69.07070	2.3
71.04967	0.8
71.53993	0.4
74.06052	0.3
78.04679	0.4
79.05080	0.3
79.05488	4.4
81.03383	1.2
81.07062	4.6
83.04984	1.4
83.08625	1.9
85.02889	0.4
85.06545	7.3
86.06059	0.4
87.04382	0.3
88.07632	2.0
89.07943	0.5
91.05493	4.3
93.07051	3.3
95.04967	2.4
95.08605	3.4
97.06519	1.7
97.10186	2.1
98.97562	0.6
99.04440	0.4
99.07983	0.3
103.05442	0.4
105.03371	0.9
105.07038	3.0
106.04104	0.5
107.04958	11.3
107.08608	3.1
109.02813	0.4
109.06515	2.1
109.10150	1.7
111.08078	0.5
117.06986	1.4
118.04212	0.3
119.04902	0.8
119.08590	2.5
121.02847	0.4
121.06501	2.7
121.10097	1.2
123.04399	0.4
123.08040	1.1
123.11735	0.5
125.09658	2.0
129.07039	0.7
130.21515	0.3
131.04846	0.3
131.08554	1.5
132.10194	0.5
133.02779	0.8
133.06514	0.6
133.10132	1.3
134.03604	1.6
135.04420	4.1
135.08040	1.4
135.11679	0.4
137.05937	0.7
137.09589	1.3
139.07475	0.4
143.08507	0.6
145.03868	0.3
145.06448	0.4
145.10104	1.6
147.04399	1.3
147.08040	0.8
147.11697	0.7
148.05180	1.2
149.02361	0.5
149.09616	0.5
150.03090	0.5
151.07504	0.7
153.09073	0.7
157.10114	0.5
159.08076	1.5
159.11674	0.5
159.52197	0.3
161.02347	1.0
161.09572	0.6
161.13223	0.6
162.03137	9.5
163.02576	0.5
163.03914	8.1
163.07500	0.5
163.11130	0.6
165.09064	1.1
167.07021	1.0
167.10728	0.4
169.10074	0.7
171.11632	0.6
173.09630	1.0
173.13231	0.4
173.85153	0.3
175.03880	1.0
176.04700	2.3
177.09077	0.4
178.02582	0.4
179.03427	3.3
179.06943	0.3
179.10612	0.3
180.04170	0.9
187.11163	0.4
189.11240	0.9
190.02618	14.9
191.03403	3.6
193.01317	1.1
193.04913	0.6
194.02109	0.9
195.06505	1.2
197.13133	0.3
199.11243	0.3
203.03387	0.6
204.04155	1.7
205.01285	0.6
207.02902	6.2
208.03665	10.9
214.21608	0.8
215.14233	0.7
215.22040	2.2
220.03738	0.4
221.04533	2.4
222.05237	1.2
223.06012	100.0
224.06384	0.4
228.13246	0.4
233.15388	1.4
235.05991	1.0
235.13312	0.5
243.17426	0.7
253.16040	0.5
259.24576	0.6
261.18484	1.0
271.16992	2.2
272.15634	1.6
275.20215	0.7
289.10837	0.8
289.17975	6.8
289.25397	0.4
295.10486	0.3
306.26553	0.5
307.11780	36.3
307.19089	3.7
307.26715	9.7
308.12180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79827	2.1
63.95270	1.9
67.26064	2.4
70.34291	7.5
86.01201	2.1
89.06834	1.8
98.21409	2.5
106.65706	2.6
115.09955	2.3
116.84816	2.2
117.02208	2.6
123.91772	2.5
133.03467	4.1
135.03284	4.6
159.05145	2.0
176.27747	2.0
179.05818	2.2
202.89111	10.0
231.05304	2.2
275.04266	4.3
289.09366	2.3
307.07852	100.0
308.80261	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	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	13.4
69.03423	3.7
69.08669	3.3
69.83708	15.3
71.93841	2.7
82.99828	7.2
84.08102	4.3
85.02887	3.7
85.58389	3.0
97.02882	6.8
98.20789	6.0
98.97585	29.5
101.00880	64.5
103.02422	5.4
110.97575	11.0
112.99110	9.2
113.00873	10.2
115.02467	14.9
116.98615	6.2
117.02190	11.0
118.67837	3.0
119.01929	63.5
127.02396	7.4
128.36800	2.8
128.98563	4.3
131.00182	9.7
131.01933	16.5
133.03467	22.8
135.03223	13.8
137.02939	3.4
143.01892	34.5
145.03467	11.9
147.01448	3.9
147.05016	7.2
155.01891	16.5
157.03497	21.5
159.05028	9.1
161.02966	61.5
161.04785	10.7
163.04492	3.1
168.99834	9.7
170.95935	5.5
171.05081	4.0
173.02982	12.6
175.04546	11.8
177.02501	5.6
177.06079	4.9
179.05849	10.8
187.00958	21.0
187.02507	3.6
187.04532	10.2
188.96980	4.8
196.99443	3.5
197.06863	8.1
199.04535	7.7
203.04005	6.4
205.01880	6.3
205.03725	3.5
215.00389	20.8
219.01797	10.1
219.03683	6.1
219.07159	3.8
221.05043	9.9
229.01933	14.6
233.01512	5.3
247.02907	37.0
247.04704	2.6
247.06900	17.4
257.01462	5.1
261.03018	10.0
263.00812	3.3
265.08099	20.3
275.04361	22.4
289.04034	9.1
307.07968	100.0
325.13556	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	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
53.03920	0.3
54.51054	0.2
66.84943	0.3
67.05483	0.4
69.07082	1.3
70.98502	0.6
72.88078	0.2
79.05508	0.4
80.69460	0.2
81.07069	0.7
91.05502	0.5
93.07059	0.6
94.04180	1.5
97.06525	0.4
100.07652	0.3
105.07008	0.3
107.08572	0.6
109.10167	0.5
114.09164	0.4
122.03664	5.6
126.09145	0.4
133.10089	0.7
135.11707	0.9
137.05986	100.0
151.11125	0.5
153.12758	0.9
170.15417	2.1
172.31091	0.3
182.15428	3.5
198.48882	0.2
306.20712	1.5
311.92059	0.3
313.90991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46585	0.3
70.97169	0.5
82.99862	0.6
101.00889	3.0
119.01921	3.8
124.10693	0.3
140.98854	1.0
158.99905	2.2
175.03215	0.3
177.00969	8.2
182.99901	0.8
201.00995	3.3
207.75699	0.3
217.04070	2.4
219.02022	15.1
220.02263	0.3
225.00876	2.3
243.02023	13.1
261.03079	100.0
262.03217	1.5
265.02554	0.4
266.03680	0.5
271.03207	0.3
284.04657	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03944	3.2
55.01862	3.9
55.05271	2.5
55.05512	30.4
56.96558	6.6
57.03417	2.8
57.07075	11.6
59.05014	11.6
64.22060	1.5
65.03937	3.3
67.05510	22.8
69.03436	7.5
69.07076	26.8
70.06599	3.8
71.04997	16.1
71.08635	1.5
73.06545	2.5
79.05500	22.2
81.03405	2.1
81.07063	58.1
82.96783	1.6
83.05010	9.9
83.08619	15.4
84.96044	2.7
85.02905	4.8
85.06540	7.2
86.09708	4.5
91.05479	25.3
93.07050	68.3
95.04957	7.7
95.07993	2.5
95.08609	48.7
97.06522	12.1
97.10177	15.5
98.20745	4.0
98.97591	26.4
99.08080	9.0
104.10733	2.3
105.07034	44.0
107.08601	100.0
108.08923	1.7
109.02873	2.2
109.06519	7.0
109.10170	24.7
111.04436	2.7
111.08101	3.5
112.99126	3.5
113.06052	1.5
115.07566	2.4
116.98616	9.6
117.07045	8.6
119.08590	48.0
121.06509	5.7
121.10155	42.9
123.04443	2.0
123.08069	6.7
123.11738	12.5
124.99964	2.8
125.09642	22.8
127.07583	3.5
127.11220	8.3
129.07025	4.2
129.09103	1.9
131.00191	6.0
131.08566	18.7
133.06520	3.6
133.10143	24.0
134.99667	2.2
135.08046	4.9
135.11696	14.9
137.05954	3.2
137.09587	5.5
137.13225	2.5
139.11191	5.8
140.00261	1.6
140.07095	10.3
141.09148	1.9
143.08575	5.9
143.10686	23.7
144.09308	3.6
145.10133	32.7
147.08072	3.3
147.11707	32.8
149.05986	3.7
149.09627	2.0
149.13268	80.1
151.07518	3.6
151.11194	3.0
153.12793	1.8
155.10703	3.6
156.09334	2.4
157.10144	9.6
158.99654	8.0
159.08144	1.8
159.11693	27.8
161.05978	2.7
161.09703	2.4
161.13272	13.6
163.14810	6.5
165.12897	1.9
166.08670	12.4
169.12210	3.8
171.11688	8.9
173.01221	6.9
173.13229	11.9
175.14841	6.0
177.00775	4.4
177.05421	2.8
177.12769	1.7
177.16461	3.2
179.14394	2.3
183.11853	1.7
184.07413	2.3
184.97528	1.7
185.13255	6.3
187.11220	2.4
187.14896	5.4
189.09102	3.1
189.16466	7.4
191.02310	5.0
191.18011	3.3
199.14799	9.2
200.20052	2.9
201.00725	3.7
201.16397	31.5
202.98651	4.1
203.17963	9.0
213.16441	5.5
215.17908	12.2
217.15843	4.5
217.19577	2.8
219.17358	1.8
227.18011	3.7
229.19548	3.8
233.19086	2.5
240.09979	2.3
242.11952	1.5
244.22771	4.6
244.99742	3.2
259.17029	2.3
269.15381	2.6
269.22720	13.2
270.11237	5.6
273.10745	2.3
277.18179	1.8
287.13715	2.6
287.16473	11.3
287.23718	28.0
288.12338	5.4
304.64819	1.9
305.05542	5.1
305.14221	5.4
305.17538	15.1
305.21103	7.9
305.24689	48.7
306.26456	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	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.98383	3.1
53.03947	4.0
55.05508	26.8
56.96565	6.3
57.03438	3.2
57.07066	6.9
59.04982	9.0
59.90169	2.9
67.05509	27.1
69.03407	8.1
69.07061	22.8
69.32481	27.6
71.04989	24.0
73.06545	6.1
79.05497	24.0
81.06590	5.9
81.07057	91.7
83.04980	5.2
83.08604	9.2
84.96018	4.0
85.06534	8.6
91.05476	25.7
93.07052	88.8
95.08614	59.9
95.55334	3.3
97.06509	11.5
97.10159	14.1
98.97591	37.2
99.08099	12.1
105.07034	50.8
107.08600	100.0
109.06511	10.6
109.10160	45.6
110.97542	4.2
111.08096	6.0
111.11793	3.1
112.99128	8.2
116.98586	6.1
117.06980	5.5
119.08584	55.6
121.10158	59.2
123.11717	14.8
125.09640	24.3
127.07520	4.3
127.11230	25.4
131.00223	5.3
131.08586	16.0
133.10164	34.9
135.11694	26.7
137.06076	4.9
137.09584	6.8
137.13263	5.6
139.11221	4.9
143.08543	6.6
143.10655	23.2
144.09204	3.6
145.10136	30.8
147.11697	45.1
149.01207	4.3
149.13266	76.6
151.11140	8.2
153.12770	8.5
155.10646	4.0
157.10114	9.0
158.99673	10.5
159.11714	28.4
161.13272	16.2
163.11174	3.8
163.14784	7.8
165.12749	7.8
169.12253	5.7
171.11673	5.8
173.01222	16.4
173.13220	10.0
177.16484	4.0
179.36101	4.1
181.10478	3.4
185.13203	10.6
187.14912	7.3
189.16342	9.3
191.02283	8.5
191.18005	6.5
199.14801	8.1
201.16380	48.3
202.98636	4.7
203.14165	3.5
203.17958	13.6
205.15904	3.7
213.16347	9.7
215.17967	10.9
217.19548	4.6
219.17381	7.6
227.17915	5.3
229.19429	7.2
244.99623	4.2
265.51801	3.2
269.22552	17.2
287.16312	3.3
287.20557	5.1
287.23676	42.1
305.17462	4.8
305.21277	7.0
305.24680	58.8
306.26508	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	305.2476
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
51.34377	1.5
53.03941	3.3
55.01864	4.6
55.05271	2.2
55.05512	32.0
56.96557	5.8
57.03419	3.1
57.07080	7.2
59.05001	8.9
63.08572	1.4
65.03954	2.5
65.51901	1.6
67.05505	25.4
69.03430	7.9
69.07071	26.3
69.31429	13.9
70.06580	2.7
71.04999	17.2
71.08611	1.9
71.26443	1.6
79.05492	26.7
79.23348	1.4
81.03413	2.9
81.07058	60.8
83.04990	7.7
83.08616	15.5
85.02887	4.4
85.06545	9.1
86.09698	5.3
87.04449	1.6
91.05483	25.2
93.07045	65.1
95.04961	6.0
95.08607	47.0
97.06524	11.1
97.10177	15.4
98.97573	22.2
99.08118	8.7
104.10777	2.5
105.07032	42.3
107.04925	2.2
107.08596	100.0
109.02877	3.4
109.06527	7.8
109.09464	2.6
109.10153	28.7
110.97608	1.8
111.04449	2.4
111.08067	5.2
111.11713	1.6
112.99117	4.9
115.05423	1.7
115.07568	1.9
116.98624	6.1
117.03359	2.0
117.07030	9.1
119.06061	1.4
119.08584	50.9
120.08881	2.1
121.06501	6.2
121.10141	43.5
123.04469	3.8
123.08050	7.4
123.11712	14.0
125.00021	2.3
125.09631	20.8
127.07529	4.2
127.11222	9.9
129.06973	4.6
129.09090	3.0
130.07756	3.0
131.00114	2.2
131.08585	13.9
133.06520	3.2
133.10130	20.6
134.99681	1.7
135.08034	4.4
135.11684	12.4
137.05968	4.4
137.09607	4.8
137.13252	1.9
138.52965	2.0
139.11154	4.3
140.07071	9.6
141.09076	2.4
142.07767	2.2
143.08533	6.9
143.10678	25.1
144.09346	2.8
145.02800	2.4
145.10126	35.3
147.08035	2.6
147.11682	34.5
149.05980	5.4
149.09557	3.2
149.13263	81.0
151.07539	2.6
151.11153	3.4
153.09010	2.1
155.08546	2.1
155.10663	2.4
157.10129	14.1
158.10898	2.7
158.99629	6.2
159.08093	2.1
159.11703	24.1
161.06006	3.0
161.09601	3.4
161.13249	13.1
163.03839	1.9
163.07498	3.3
163.14810	3.4
166.08687	11.1
167.90465	1.7
169.12247	4.3
171.08003	2.1
171.11699	7.9
173.01216	5.1
173.13261	11.0
175.14796	5.7
177.00696	5.9
177.05484	6.5
177.09125	1.8
177.12782	2.4
179.14377	1.7
184.07341	4.2
185.09415	1.6
185.13260	6.1
187.14854	5.7
189.09193	2.6
189.16368	7.1
191.02289	2.7
191.17935	2.1
199.14806	9.3
201.16396	32.3
202.37938	1.5
202.98540	3.0
203.10670	2.1
203.17940	10.7
209.04405	2.8
213.16347	6.0
215.17964	12.3
217.15836	4.3
217.19481	2.6
227.17900	1.6
229.19524	4.7
231.13792	2.0
231.17293	1.8
240.09901	4.1
241.15822	2.0
243.41418	1.5
244.22719	3.4
244.99655	4.2
259.17035	2.6
259.24335	2.8
269.15308	4.8
269.22626	11.7
270.11261	4.7
273.10690	5.1
287.13626	3.3
287.16501	17.1
287.19321	2.0
287.20526	2.8
287.23660	30.6
288.12393	4.1
304.64703	3.8
305.05655	3.8
305.10120	6.3
305.14267	3.4
305.17609	25.6
305.21063	7.5
305.24628	43.2
306.26416	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	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03964	4.8
55.01871	7.6
55.05515	30.9
56.22100	2.9
56.96580	17.5
57.03435	12.7
57.07074	4.1
59.04995	3.1
65.74964	2.6
67.05511	36.8
69.03439	13.4
69.07077	28.4
70.06583	4.2
71.04998	30.4
71.08620	4.3
71.53494	4.6
79.05499	42.4
81.03407	3.1
81.07060	100.0
83.04980	23.6
83.08609	8.6
84.08146	3.3
84.96032	5.6
85.02908	5.5
85.06572	6.0
85.35617	2.6
86.09707	4.0
91.05482	30.4
92.96104	2.5
93.07053	70.0
95.04977	24.4
95.08611	43.7
97.02888	5.7
97.06538	25.3
97.10155	7.9
98.97592	61.7
99.08096	11.3
103.05439	3.3
105.03398	3.7
105.07036	37.3
107.04955	4.4
107.08603	71.8
109.06537	14.5
109.10162	38.3
110.97578	3.5
111.04486	4.0
111.08104	6.3
111.11681	3.5
112.99149	8.7
113.06012	3.3
116.98633	27.7
117.03382	8.4
117.07018	12.5
119.08591	41.9
121.06511	7.2
121.10155	26.8
123.04446	12.1
123.08102	6.7
123.11728	12.5
124.16663	2.7
125.06020	3.1
125.09646	17.4
127.07563	2.9
127.11192	56.3
128.98769	2.6
129.07028	4.7
131.00163	15.5
131.04942	3.6
131.08583	15.4
133.02844	3.4
133.06557	4.5
133.10135	25.6
134.99692	7.0
135.04442	3.4
135.08055	15.0
135.11702	72.8
137.05994	7.8
137.09666	4.9
137.13283	4.7
139.11197	6.0
140.00224	4.0
142.96573	3.9
143.08566	9.5
145.02826	20.2
145.06520	3.3
145.10132	29.5
147.03133	3.9
147.08049	6.1
147.11719	15.5
149.01248	12.4
149.02333	5.7
149.05954	9.3
149.09633	7.1
149.13272	16.8
151.07558	5.9
151.11168	6.0
153.12813	4.0
155.08597	6.0
155.10669	29.8
156.03639	5.2
157.10124	15.8
158.99673	19.7
159.11722	21.4
160.97607	6.0
161.05943	5.3
161.09598	5.4
161.13245	6.1
163.03906	6.3
163.07523	5.2
163.11194	6.9
163.14754	3.9
171.11705	10.5
173.01321	14.9
173.13264	10.9
175.07564	10.9
175.11151	3.7
175.14873	5.2
177.00745	18.1
177.05501	25.9
177.09151	4.9
177.16350	3.8
179.03340	5.7
181.12102	2.7
183.13766	9.7
184.97588	5.5
185.13298	12.9
187.14760	5.4
189.09155	5.0
189.16414	6.0
191.02298	14.5
193.15823	4.9
194.02139	4.4
197.13399	3.7
199.14745	4.9
201.16373	29.8
202.98689	9.9
205.05070	3.2
207.02863	6.7
209.04494	23.3
213.12677	3.4
213.16428	14.9
219.03026	6.4
219.17380	13.5
224.08061	46.3
224.58260	5.0
229.07542	10.8
241.00177	3.4
241.15974	3.7
243.13841	4.5
244.26059	3.2
244.99811	5.6
245.15500	3.2
247.08586	3.3
259.17139	5.8
261.07635	12.7
261.15021	9.2
269.15372	6.6
269.22604	7.3
285.09753	8.2
286.02429	3.2
287.16525	24.6
287.19373	4.2
287.23734	12.0
305.05551	5.3
305.10376	52.6
305.17538	69.5
305.20950	6.1
305.24664	26.9
305.60880	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25707	2.0
53.03949	3.6
55.01880	11.4
55.05273	3.3
55.05514	47.5
57.03439	15.8
57.07067	2.4
59.05011	2.8
64.40875	2.4
67.05512	37.1
69.03427	5.6
69.07079	14.7
70.97608	6.1
71.04977	6.3
78.38560	2.0
79.05495	49.2
79.61069	1.9
81.03429	2.8
81.07066	52.6
83.04972	8.9
83.08619	21.1
85.06538	5.8
91.05486	67.1
93.07048	33.4
95.04963	9.2
95.08617	16.5
97.06551	5.6
97.10175	30.7
103.05422	2.5
105.03381	4.4
105.07043	32.8
107.04977	14.9
107.08615	24.7
109.06524	14.9
109.10161	25.8
111.08078	5.0
115.05457	5.2
117.07035	28.3
119.08595	62.4
121.06483	7.4
121.10117	8.1
123.08047	3.2
125.09645	38.7
127.11158	3.2
128.06232	4.6
129.06998	8.8
131.08566	38.0
133.06491	2.9
133.10136	9.7
135.08087	23.3
135.11699	8.7
137.05959	4.3
143.08578	17.8
144.09341	3.0
145.10117	28.7
147.08067	38.8
147.11728	7.0
149.09610	7.6
149.13251	2.2
153.09068	7.3
157.10088	8.6
157.12218	3.8
159.11714	14.1
161.09628	7.3
163.11182	2.8
169.10146	5.0
171.11662	10.2
173.11792	2.3
173.13347	2.6
175.11203	4.9
177.12733	3.0
181.10176	2.7
183.11699	4.0
185.13199	4.7
187.11150	3.4
199.14885	3.4
203.12799	31.3
217.15881	5.7
227.18031	5.0
237.16380	3.9
245.19025	4.9
255.17432	11.1
273.18518	100.0
287.19934	2.7
305.17780	4.0
305.21088	44.4
305.26523	16.3
315.97885	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	305.2113
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03941	2.7
55.01871	4.1
55.05516	11.1
57.03433	2.0
59.05001	1.8
65.03939	5.1
67.05508	52.4
69.03437	2.8
69.07067	6.5
69.88328	2.1
69.88725	1.2
73.63354	0.6
76.06731	0.6
79.05497	14.5
81.03416	2.2
81.07063	18.2
83.04995	3.1
83.08613	1.9
85.06558	2.0
91.05486	17.7
93.07046	17.4
95.04975	100.0
95.08617	10.1
97.06518	5.5
97.10185	1.5
99.08105	0.9
103.05469	1.7
105.07036	15.7
107.04959	9.6
107.08601	9.1
108.24261	0.7
109.02837	1.2
109.06534	6.2
109.10171	3.2
111.04475	0.9
111.08084	2.7
115.05462	1.1
116.06217	1.1
117.07034	4.3
119.05006	1.0
119.08590	9.0
121.06522	8.8
121.10149	5.1
123.04439	1.0
123.08066	3.2
123.11701	0.9
125.06018	1.6
125.09663	2.5
128.06244	1.9
129.07037	3.6
130.07811	1.2
131.08575	12.6
133.06482	3.5
133.10155	5.1
135.08025	4.9
135.11708	5.0
137.05988	5.0
137.09627	1.6
139.07578	1.0
141.06956	0.8
142.07736	1.2
143.08559	6.4
145.06453	1.1
145.10117	6.7
147.08057	7.4
147.11703	3.3
149.09587	3.3
149.13300	2.1
157.10149	1.9
159.08028	1.1
159.11671	4.3
161.09697	4.5
161.13226	0.9
163.07635	0.7
163.11203	1.9
169.10130	1.3
171.07918	0.7
171.11711	3.0
173.13261	1.5
175.11198	1.9
177.12782	3.4
179.10707	1.0
185.13228	1.4
187.11203	2.0
189.12802	1.0
193.12329	1.0
201.12825	1.0
205.12274	1.4
207.13887	0.9
209.15498	1.2
213.16222	0.8
227.17979	2.4
237.16490	0.9
245.19113	2.3
255.17455	2.1
263.16724	0.8
273.18512	36.5
277.21625	0.9
287.20129	1.4
305.21143	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	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33258	1.4
53.03950	14.1
53.94260	1.2
55.01637	1.3
55.01876	16.2
55.05279	1.7
55.05515	26.1
57.03428	5.1
57.07061	4.0
59.04984	2.8
65.03934	3.4
67.05506	58.2
69.03428	7.8
69.07071	15.6
70.93329	2.2
70.93637	2.0
71.04974	2.1
73.06548	3.9
77.03925	1.5
79.05495	68.6
81.03422	30.6
81.07058	83.3
83.04980	22.0
83.08617	9.5
85.06538	7.4
87.84151	1.4
91.05482	54.9
93.07047	71.7
95.04968	29.2
95.08611	61.3
97.06529	6.3
97.10163	2.8
99.08100	2.3
101.06001	1.7
103.05463	3.1
105.04496	1.8
105.07036	49.5
107.04958	50.1
107.08598	46.0
109.06532	10.3
109.10168	13.3
111.08079	4.5
115.05443	3.8
115.07571	3.1
116.06255	2.3
117.07021	34.9
119.04911	1.3
119.08586	25.0
121.06506	26.5
121.09328	2.5
121.10147	36.4
123.04432	1.6
123.08073	27.0
123.11754	1.9
125.09633	5.1
128.06187	3.7
129.06990	10.1
130.07782	1.7
131.04912	11.2
131.08571	60.1
133.06500	54.1
133.10120	25.3
135.08063	41.0
135.11691	6.5
137.09613	8.6
141.07008	3.9
142.07808	2.1
143.08582	11.6
145.06522	1.7
145.10115	19.9
147.08055	12.3
147.11687	7.3
149.09622	67.7
149.13269	3.1
151.11180	8.3
155.08603	2.9
157.10162	8.7
159.08066	24.0
159.11691	9.3
161.09633	22.0
161.13263	5.3
163.07527	1.7
163.11183	6.5
165.08975	1.4
169.10136	4.4
171.11687	9.4
173.09697	3.0
173.13225	3.4
175.11198	16.3
177.09111	56.3
177.12724	4.0
179.10703	2.0
181.12257	4.1
183.13806	2.5
185.09605	3.1
185.13237	5.8
187.11163	2.5
189.12714	6.0
191.10698	3.9
199.11169	4.5
201.12637	1.4
205.12181	2.1
213.12698	3.2
213.16393	2.2
217.12215	2.2
217.15874	1.4
227.17891	5.6
231.13710	1.8
237.16489	3.3
243.06677	1.6
245.19055	6.3
255.17429	13.8
273.15552	3.2
273.18494	55.8
277.21701	1.6
287.20151	3.3
305.21121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01856	3.1
55.02092	0.7
55.05256	1.0
55.05503	6.5
56.96568	7.2
57.03441	6.6
57.07068	1.8
57.75643	0.8
59.04985	2.0
60.29294	0.7
61.02937	6.6
67.05508	21.8
69.03433	5.4
69.07060	5.6
69.18045	7.8
71.04976	2.2
73.02921	5.9
73.06526	0.7
79.05503	6.6
81.03431	1.4
81.07061	9.5
83.04977	3.9
83.08600	2.9
84.01538	1.2
85.02911	5.8
85.06537	2.0
86.06090	1.0
87.04454	0.8
90.01568	1.3
91.03928	2.3
91.05486	7.8
93.07050	18.0
95.04984	4.5
95.08070	1.2
95.08614	13.7
96.15781	0.7
97.02891	8.9
97.06523	2.6
98.97589	10.7
100.99164	1.1
101.06060	1.4
102.01518	0.9
103.02348	1.0
105.02060	1.0
105.07037	9.7
107.04945	2.3
107.08593	10.4
109.02916	1.4
109.06512	3.4
109.10163	15.6
110.01289	2.0
110.97618	1.4
111.02029	1.2
111.08048	2.4
112.99141	4.4
113.06022	1.1
116.98621	2.7
117.07016	3.3
118.02834	1.1
119.01824	4.6
119.07812	1.1
119.08591	13.6
120.74793	0.9
121.06514	2.4
121.10151	12.5
123.08102	5.0
123.11703	2.8
125.09639	1.8
127.03875	1.3
127.11240	0.9
128.06212	1.3
128.98637	1.5
129.06990	3.3
131.00174	13.6
131.08583	10.8
133.10132	7.6
135.08043	3.2
135.11678	2.1
137.06004	1.4
137.09605	2.7
138.02567	1.0
139.07503	1.5
140.98563	0.9
141.07011	0.9
142.07803	2.0
143.00150	2.7
143.08568	6.1
145.09283	0.7
145.10150	8.6
147.03107	13.4
147.08041	2.7
147.11734	3.5
149.00131	1.2
149.01242	13.5
149.02361	0.5
149.09653	7.9
149.13261	1.3
151.07536	1.4
152.05956	3.2
155.08560	2.0
155.10634	1.1
156.03632	16.8
156.09250	1.8
156.53796	1.7
157.10129	8.6
158.10938	2.5
158.99661	4.5
159.08034	0.9
159.11690	10.0
161.01276	1.3
161.06450	1.1
161.09633	2.9
161.13261	1.6
163.11220	1.7
165.09097	3.6
167.02298	2.9
167.10664	2.1
167.54413	3.5
169.10139	3.2
170.10851	1.6
170.99635	1.6
171.11757	4.5
173.01239	1.8
173.09554	1.6
173.11743	2.4
173.13261	9.4
174.14044	1.0
175.11313	1.0
175.14851	3.2
177.00699	2.0
177.12740	2.2
183.11700	1.7
185.13278	4.9
187.06241	3.4
187.11166	1.8
187.14868	2.2
189.00873	0.8
189.12708	1.1
191.02303	2.5
191.14223	1.3
195.11769	1.2
196.06778	1.0
197.13293	1.0
199.06433	1.1
199.11201	1.3
199.14853	4.1
201.00699	0.9
203.02359	1.7
203.14334	0.8
211.06389	2.0
211.14819	2.5
213.12706	2.2
213.16318	3.6
215.18036	1.3
217.03784	0.8
217.07552	1.2
219.01801	1.8
224.08066	100.0
224.58223	11.6
225.16396	1.6
227.17984	1.4
228.05722	2.4
229.07468	14.9
231.13863	1.6
237.02881	0.8
241.19492	2.1
243.25195	0.8
244.59489	4.2
245.15311	0.9
247.08575	7.3
251.17934	1.1
252.09114	1.2
259.20578	1.1
269.19028	2.4
271.08643	1.8
273.18524	4.0
277.17722	0.8
279.03830	0.9
285.09991	1.0
287.16693	1.4
287.20059	7.5
293.05475	2.4
296.10101	1.5
305.10706	60.9
305.17453	4.3
305.21121	20.2
305.24536	1.2
305.28714	1.7
305.60855	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	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
56.05028	0.4
67.05511	1.8
69.07053	0.6
69.15871	1.6
69.16300	1.3
79.05515	1.1
80.04999	0.4
80.27824	0.3
81.07093	1.7
86.09697	0.9
91.05493	3.3
93.05800	0.8
93.07062	2.8
94.06567	0.6
95.04988	1.1
95.08617	0.8
96.08143	0.8
98.97611	0.9
104.05339	0.6
105.04473	0.4
105.07047	0.5
107.08607	0.5
108.04476	0.5
108.08116	1.6
109.10181	0.5
121.10152	0.6
122.06036	4.5
124.07603	9.4
126.05531	1.1
132.10199	0.5
136.07587	100.0
138.09154	0.4
140.07083	1.1
146.06378	0.4
150.05534	0.7
151.07646	0.3
152.07076	20.3
158.99605	0.3
164.07077	82.7
165.07381	0.4
166.08644	0.5
170.08134	5.1
174.05797	0.4
182.08139	18.8
190.66579	0.3
251.20052	0.4
287.13885	5.8
287.16772	0.5
305.05533	2.0
305.11865	0.4
305.14816	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	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01886	0.4
55.05518	0.4
56.05035	0.5
56.96556	0.5
57.03445	0.2
61.01162	0.5
65.03940	0.4
67.05505	2.1
68.20184	0.2
69.03426	0.3
69.07079	0.9
71.04994	0.4
71.53928	0.3
77.03903	0.4
79.05488	1.4
81.03438	0.2
81.07059	2.1
82.63138	0.2
83.04992	0.6
83.08604	0.3
84.89819	0.2
85.02888	0.2
85.06551	0.4
86.09700	1.3
91.05472	3.4
93.05785	0.5
93.07043	3.2
94.06572	0.9
95.04998	1.4
95.08592	1.0
96.08147	0.8
97.06541	0.6
98.06083	0.4
98.97572	1.2
101.06021	0.2
104.05314	1.1
105.04501	0.5
105.07029	0.5
107.08599	0.9
108.04521	0.4
108.08135	1.5
109.10144	0.7
112.99118	0.3
116.98625	0.5
117.07072	0.3
119.08614	0.5
121.10139	1.2
122.06038	4.4
124.07591	9.6
126.05517	1.2
131.08588	0.5
132.10216	1.0
133.10141	0.3
135.11705	0.4
136.07579	100.0
137.06049	0.3
138.09105	0.5
140.07062	0.7
146.06323	1.0
149.09589	0.5
150.05553	0.4
152.07069	18.0
153.07326	0.2
155.08675	0.2
157.10172	0.3
158.99692	0.5
159.11649	0.2
164.07069	75.2
165.07336	0.5
166.08655	0.6
167.10616	0.6
170.08128	5.2
173.01212	0.5
173.13315	0.3
174.05757	0.4
174.15839	0.2
175.69843	0.2
177.00716	0.4
182.08130	17.1
184.09654	0.4
191.02161	0.3
195.10153	0.2
203.54710	0.2
215.17812	0.2
223.05971	0.2
224.04424	0.3
224.07831	0.2
243.10869	0.2
246.27255	0.3
269.21225	0.3
287.10617	0.6
287.13882	5.6
296.04376	0.2
305.05511	3.7
305.11383	0.5
305.14740	1.8
305.24402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05520	2.9
56.05001	0.4
56.61087	0.4
56.96562	2.9
57.03430	0.6
61.02924	0.9
67.05502	0.5
69.03429	0.9
69.66569	1.0
69.66985	0.9
70.06586	1.5
71.05006	0.7
72.08163	0.9
72.22726	0.4
73.02927	0.7
75.04491	1.1
79.05507	0.6
81.03435	0.5
81.04543	0.5
81.07050	0.7
83.04990	12.6
84.08144	1.4
84.96022	0.5
85.02903	1.5
86.09718	3.1
87.04486	0.6
87.10049	1.3
91.05475	0.6
93.07043	1.0
93.95322	0.3
95.04961	0.5
95.06091	0.5
97.02898	0.5
97.06521	0.4
98.97598	5.3
99.04485	0.5
101.06033	0.7
103.03989	0.3
105.06978	0.4
110.97560	1.2
111.04449	0.9
112.99144	1.4
116.98641	1.7
120.08102	0.5
121.02844	0.4
123.04465	0.4
124.07605	1.5
124.08703	0.6
125.07118	0.5
125.07941	1.2
127.03934	0.8
128.98610	1.0
129.10262	0.7
131.00192	1.5
133.06445	0.4
138.09172	1.0
142.08734	0.5
142.09793	1.4
143.00162	0.6
143.06898	2.1
143.08151	1.3
143.10086	0.9
144.12108	0.7
146.99599	0.7
149.01248	1.1
156.10239	0.8
158.99655	0.7
159.02982	1.6
161.01253	0.6
161.03020	0.6
161.04541	0.5
172.94354	0.5
177.00766	1.0
177.04332	0.5
185.04440	0.4
187.02831	0.4
189.00688	0.6
189.04347	0.5
193.03806	0.5
201.00748	0.5
203.04018	0.5
203.05853	0.6
205.03510	1.4
219.01828	1.5
223.58966	0.7
237.02921	2.3
240.05421	0.5
248.11667	0.5
248.14182	0.4
250.97624	0.4
287.10312	0.5
304.61621	0.7
305.09332	3.5
305.12106	100.0
306.12671	0.5
309.08652	0.4
323.10260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86534	0.5
52.57806	0.5
55.01847	0.5
55.05518	2.3
56.05041	0.6
56.96566	9.5
60.04522	0.4
60.21275	0.4
61.02937	0.6
67.05503	0.6
69.03428	1.2
69.07074	1.0
69.32362	3.8
70.06596	2.5
70.98100	0.6
71.05006	0.6
72.08157	1.2
73.02909	1.2
73.46293	0.5
74.06078	0.9
79.05505	1.2
81.03434	0.6
81.04556	1.0
81.07047	1.3
83.04987	7.9
84.04513	1.2
84.08154	2.2
84.96033	1.6
85.02913	2.7
86.06030	0.5
86.09706	4.9
87.10047	2.1
89.03936	0.7
91.05479	0.7
97.02914	1.6
97.06599	0.6
98.97585	10.2
101.00896	0.8
105.07047	0.8
109.02768	0.5
109.06509	0.5
110.07158	0.7
110.97584	3.3
111.04453	1.4
112.99136	7.7
116.98660	3.8
119.01907	1.9
120.08091	0.6
123.04475	0.8
124.07589	1.4
124.08699	1.0
125.07138	0.9
125.07945	1.1
127.00679	0.6
127.03944	1.1
128.98596	3.0
129.10234	0.9
131.00182	9.2
131.01848	0.8
133.03488	1.0
134.99629	1.2
140.98608	0.6
142.08755	0.7
142.09717	2.7
143.00159	1.1
143.01900	1.1
143.06918	2.2
143.08170	2.3
143.10127	1.0
143.11786	0.8
144.12173	1.0
145.01712	1.0
146.99663	1.1
149.01228	4.0
153.01825	1.1
155.01846	0.6
158.13744	0.8
158.99687	1.7
159.03336	2.6
159.04964	1.0
161.01239	1.6
161.02994	2.7
161.04851	1.6
163.03935	1.1
164.61574	0.5
167.02272	0.6
170.99759	1.2
172.94397	0.9
173.02890	0.7
175.02841	1.3
175.04488	0.5
177.00716	1.5
177.04457	0.9
179.05894	1.1
186.99239	0.9
189.00723	1.2
190.95432	1.1
191.04001	0.8
193.03810	3.4
201.00705	0.7
203.05942	1.1
205.00168	1.0
205.03503	1.0
211.04918	1.8
215.03955	0.6
219.01775	4.3
232.96465	0.8
237.02824	4.9
245.04991	0.6
245.07101	0.6
250.97552	1.1
259.05951	1.5
267.07419	0.8
287.10364	0.7
305.05411	3.7
305.09335	5.2
305.12115	100.0
323.10062	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	304.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01823	3.1
52.81880	2.8
55.01888	3.0
55.05510	12.7
56.05042	3.7
56.96559	8.0
57.03440	6.1
57.07073	4.6
58.06610	5.1
59.04992	11.9
62.20728	2.6
67.05508	65.0
67.55025	2.4
69.03418	11.6
69.07067	6.4
71.04989	8.0
71.08627	3.5
79.05496	19.4
81.03432	14.9
81.03819	2.5
81.07065	24.1
83.04987	4.8
83.08614	8.6
85.02888	9.6
85.06538	7.5
87.04475	4.9
91.05486	22.4
93.07048	22.8
95.04965	11.8
95.08601	16.4
97.06552	6.0
98.97594	3.4
104.99261	2.7
105.07035	15.2
107.04977	13.2
107.08567	10.5
109.06519	18.1
109.10168	76.4
111.08076	5.3
113.05982	6.7
116.98617	3.3
117.07011	13.9
119.08614	15.8
121.06535	18.7
121.10142	6.8
122.08147	6.3
123.08032	5.7
125.09615	4.0
131.08598	13.0
133.10127	14.0
135.08051	4.5
137.05986	63.8
137.09647	5.5
141.07036	5.9
143.08575	5.4
145.10127	25.7
149.09628	4.6
149.13274	3.7
151.11119	3.1
155.10666	23.1
159.11671	18.7
161.09628	5.4
168.13799	11.3
169.10123	12.8
173.11752	100.0
173.54807	2.7
177.12775	6.6
184.07388	5.2
187.11255	24.1
187.13239	28.5
205.12219	15.1
216.22780	2.6
219.13838	5.1
223.13324	38.4
237.14897	29.2
272.94345	2.5
281.10635	8.7
284.12723	7.5
299.11719	3.0
304.05408	30.9
304.19855	2.7
304.28662	15.9
305.17740	2.7
305.21072	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	304.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86586	0.3
55.05506	1.2
56.05042	0.7
56.96553	1.0
57.07072	0.4
60.04521	0.7
61.59085	0.3
65.03927	0.6
67.05509	2.5
68.17186	0.4
69.03437	0.5
69.07070	3.5
69.75610	0.8
69.76013	1.5
74.06067	0.4
79.05503	1.9
81.07055	1.1
83.04978	0.5
83.08617	0.9
86.09703	0.5
88.07613	0.6
91.05481	1.5
92.05010	1.1
93.03430	2.0
93.07035	2.2
95.04979	0.7
95.08610	1.1
96.29913	0.4
97.06528	1.5
98.09696	0.5
105.07013	0.7
106.06516	0.5
107.04970	0.9
107.08598	2.2
109.05276	0.7
109.06516	0.6
109.10152	0.9
110.03667	5.4
111.04446	2.2
111.08108	0.5
113.06037	0.5
120.04513	0.8
121.06506	0.5
124.07588	2.3
124.08386	0.4
124.99947	0.5
125.06002	9.0
133.10104	0.5
135.08084	0.6
135.11699	1.5
137.04726	5.2
137.05968	3.0
152.07071	100.0
177.09155	0.6
184.07379	0.8
190.13368	0.4
256.26407	0.7
281.10675	1.1
299.11697	0.6
304.05444	2.9
304.19168	5.0
304.28494	2.9
305.21448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03180	0.8
53.03939	1.5
55.01870	1.6
55.05514	1.7
55.53904	0.9
56.05026	0.8
56.96551	2.4
57.03427	4.5
58.02963	1.0
58.06590	1.7
60.04530	7.8
61.02930	5.2
61.34280	0.8
65.93101	0.8
67.05511	1.6
69.03432	14.5
69.07070	36.8
70.06599	9.2
71.04980	1.5
71.07498	0.9
71.08634	21.7
71.23014	1.9
72.08162	3.8
73.02924	3.4
74.06100	1.0
74.31657	0.9
79.05486	1.3
81.03067	0.8
81.03433	9.4
81.07059	1.9
83.05005	1.7
83.08627	1.9
84.04501	3.7
84.08139	5.7
85.02909	63.5
86.02439	5.1
86.09711	12.5
91.03971	1.3
91.05496	1.9
94.06573	4.0
95.04955	1.7
95.08565	0.9
96.04529	1.0
96.08143	4.4
97.02898	38.2
97.06528	6.2
98.06040	1.0
98.97596	3.0
99.04487	2.4
103.03935	5.2
103.05489	0.9
105.07085	1.3
107.04947	1.1
109.02890	10.0
110.07166	1.7
111.09154	1.0
114.09171	18.3
115.05103	1.1
116.07114	1.6
116.98648	1.4
119.08572	1.2
120.08115	5.0
123.08092	0.9
124.07591	1.1
127.03937	15.1
127.04889	1.6
129.10254	2.3
130.06519	6.1
130.10782	0.8
132.10184	1.7
136.07599	1.6
137.05981	1.8
138.09151	3.7
142.08641	100.0
143.11835	0.9
145.04987	6.7
146.06061	2.4
150.05482	1.5
153.01828	1.7
153.06647	1.7
154.02103	0.9
156.10187	2.8
157.07640	2.7
158.05966	1.6
158.99590	1.0
164.07062	1.2
164.10797	1.0
173.12906	1.6
183.07967	1.6
184.09700	70.8
208.09706	15.4
210.11217	5.6
211.07582	1.2
219.01797	1.3
220.09717	3.5
223.07562	6.6
238.10770	3.2
242.09282	4.6
250.10762	10.2
260.10342	1.7
268.09570	1.5
286.12292	3.2
304.05261	18.1
304.08722	1.4
304.13791	5.4
305.15759	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	303.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.6
53.03943	2.9
55.01870	1.6
55.05513	6.9
56.96555	3.0
57.03435	2.1
57.07064	0.9
57.87389	0.7
59.04995	0.9
65.03925	1.3
67.05511	7.5
68.99782	1.7
69.03430	3.0
69.07074	4.6
71.05000	7.5
71.08614	1.1
71.25701	1.3
73.02898	0.7
79.05493	9.0
81.03424	1.8
81.07064	17.3
83.04990	2.5
83.08627	4.5
85.02902	1.2
85.06557	1.9
86.09720	2.3
91.05485	12.8
93.03385	1.1
93.07049	45.4
95.04974	5.5
95.08608	10.5
97.02897	1.5
97.06527	5.7
97.10134	0.8
98.97583	5.0
99.08076	1.9
101.00874	2.6
103.05457	1.1
104.10729	0.7
105.04517	1.4
105.07041	12.6
107.04945	1.8
107.08602	12.1
109.02856	2.2
109.06523	2.8
109.10144	7.6
111.00793	1.6
111.04454	1.1
111.08100	2.6
112.99139	1.8
115.05394	0.9
116.98640	1.8
117.07021	2.7
119.01938	5.0
119.08586	11.4
120.02024	0.8
121.02879	2.5
121.06522	3.1
121.10144	19.1
123.04440	1.2
123.08073	3.4
123.11713	3.5
125.09615	2.1
127.11217	3.8
128.06250	0.8
129.07048	1.5
130.07762	1.2
131.00162	2.6
131.04948	1.4
131.08559	5.0
133.06435	1.0
133.10138	5.6
135.08064	2.3
135.11710	6.3
137.02330	7.4
137.05981	6.6
137.09607	2.3
137.13239	1.0
139.11235	3.0
141.07011	1.0
143.00214	0.8
143.01921	3.3
143.08597	4.0
144.02045	0.7
145.06483	1.4
145.10146	9.2
147.03090	0.9
147.08057	1.6
147.11702	7.2
149.01201	2.6
149.02296	1.1
149.05968	1.2
149.09633	4.7
149.13275	1.6
151.07523	2.7
151.11180	1.3
153.01816	8.9
153.06964	0.7
153.09152	0.8
153.12746	3.0
155.04942	1.2
155.08511	1.2
155.10689	0.8
156.03593	0.7
157.03484	1.6
157.10110	3.3
158.99648	2.1
159.08080	1.7
159.11679	5.1
161.02979	3.3
161.05954	1.7
161.09584	1.7
161.13289	2.1
163.03888	2.3
163.07564	1.2
163.11200	5.1
165.01862	3.3
165.07031	1.8
165.12759	1.4
169.10165	1.5
171.11655	2.0
173.01239	0.9
173.06017	2.0
173.13290	2.5
175.04469	1.5
175.11192	1.1
175.14848	1.4
177.00671	1.5
177.09189	1.0
181.12274	2.6
183.02908	2.5
183.04361	1.1
183.08058	1.5
183.11749	1.3
185.13271	1.2
187.00885	2.5
187.03915	1.3
187.14848	1.5
189.16385	1.9
191.14320	1.5
197.13232	0.9
199.14885	5.3
201.05515	3.5
201.12694	1.6
203.03922	0.8
205.15784	0.9
207.10133	1.1
211.07574	1.9
211.14909	1.0
213.16312	1.4
215.10657	0.8
215.14250	0.9
215.17984	1.6
217.15907	4.5
222.11934	0.7
223.16910	1.3
224.08151	1.3
225.16518	0.8
229.01939	1.8
229.04987	8.8
229.07199	0.7
233.78505	0.8
240.09966	1.2
243.10114	1.5
243.13896	0.9
243.17538	0.8
244.09555	1.8
247.06123	0.8
257.04471	5.1
257.19180	1.4
257.22708	1.0
267.21158	1.6
269.10535	1.4
271.09653	2.4
274.04639	1.7
285.03973	2.1
285.13678	2.2
285.18616	0.8
285.22192	6.0
294.13992	2.2
303.04999	100.0
303.15317	6.5
303.19659	1.7
303.23093	15.8
303.64743	1.7
304.05264	1.9
304.19153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
54.18584	3.7
55.05512	31.0
57.03436	23.0
57.07092	4.9
58.98207	3.6
66.84705	3.1
67.05511	20.0
69.03423	10.4
69.07066	11.5
70.46872	13.1
71.19492	3.0
73.06592	7.4
75.88657	3.3
78.70135	3.6
79.05517	10.2
81.07079	18.3
83.04984	85.7
83.08624	5.4
85.02898	9.8
91.05455	9.3
93.07045	24.8
95.04972	5.6
95.08613	96.0
97.10162	5.0
101.06025	15.6
105.07018	18.9
107.08601	33.5
108.76039	3.5
109.10168	36.9
111.04453	100.0
111.05216	5.2
119.08578	18.5
121.10167	32.2
123.11734	5.7
125.06005	6.5
129.05498	9.2
131.08592	6.2
133.10147	22.1
135.11684	39.8
141.09123	5.0
145.10130	11.1
147.11699	16.1
149.13261	11.7
159.11674	7.4
161.13277	15.0
163.11133	4.9
163.14879	8.3
167.07014	7.5
171.17865	3.3
171.40604	3.4
173.13289	9.8
175.14819	8.4
185.08110	8.8
187.14813	7.8
189.16367	5.2
201.16367	6.1
203.09186	3.9
203.17949	27.9
207.13795	5.3
233.15475	10.5
257.22653	19.0
285.22198	9.5
303.05029	12.0
303.14328	4.2
303.23175	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1957
Annotation	Nocarasin C
Peak:m/z	Relative Intensity
55.01881	6.9
55.05516	47.6
56.05828	1.4
57.03444	5.7
57.07066	3.5
59.04995	2.0
65.03896	1.2
65.49750	1.0
67.05188	1.3
67.05511	17.3
67.22813	1.0
69.03418	3.2
69.06786	1.1
69.07079	12.0
69.64536	1.0
69.82624	4.1
69.83047	2.4
71.08643	2.2
76.98655	1.0
79.05503	25.6
81.07067	15.1
83.04984	10.7
83.08622	19.1
85.36546	1.4
88.66652	1.0
91.05480	11.2
93.07058	9.4
95.08593	3.4
97.09550	2.4
97.10175	38.3
98.10560	1.2
101.06010	1.3
105.07029	4.9
107.08599	19.9
109.10178	6.9
111.04451	10.7
111.08099	3.1
111.11683	1.2
115.05469	12.3
117.07024	57.4
118.92090	1.1
119.08592	15.4
125.09632	33.3
128.06248	2.7
129.05479	1.4
129.07025	6.6
131.08592	8.4
133.10133	2.5
135.08041	10.5
136.93129	6.7
141.06967	1.4
142.07738	2.3
143.08566	11.4
145.06496	62.0
145.10103	3.9
147.08041	2.3
147.11697	1.3
150.27344	1.1
153.09091	7.0
154.94176	11.3
155.08557	3.2
157.10133	8.2
159.08081	6.2
159.11639	1.2
161.09656	1.3
162.47723	1.1
169.10150	4.4
171.10161	1.5
171.11642	2.5
172.95261	7.5
173.09647	2.7
183.11696	3.1
190.96342	2.0
203.12814	28.4
210.96631	1.6
211.14891	1.7
225.16374	7.4
228.97858	7.9
229.98170	1.8
235.03638	1.1
235.14793	2.4
241.23601	1.7
243.17567	5.5
246.98874	6.5
247.99252	1.6
253.15950	7.3
261.61450	4.7
262.11734	2.9
270.62036	2.0
271.16949	100.0
282.12738	2.2
303.01694	1.9
303.04965	10.5
303.19598	18.7
303.22961	1.7
303.30737	1.5
312.26190	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	303.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
53.48556	0.5
55.05515	21.4
55.80784	0.5
57.03439	15.7
57.07073	0.7
59.05006	1.1
67.05501	1.4
69.03437	10.3
71.01370	0.7
71.05003	0.5
73.06556	6.0
75.04494	1.4
81.07047	1.1
83.04986	70.9
83.64526	0.5
85.02916	9.0
87.00841	1.2
91.05515	0.6
93.07019	0.7
95.04980	1.6
95.08606	0.7
98.21646	0.6
101.06020	8.3
105.07012	0.7
107.08603	0.6
109.10207	0.6
111.04448	100.0
119.08616	1.2
129.05495	11.1
129.71143	0.5
133.10135	0.8
133.38541	0.4
139.07600	0.5
141.05484	1.2
143.07050	0.6
147.11630	0.5
159.11629	0.6
167.07060	7.7
185.08115	6.4
201.16377	0.7
203.09140	1.8
205.35533	0.5
207.97581	0.6
211.09702	3.7
230.13448	0.7
241.10719	2.8
259.11749	1.8
303.04819	0.9
303.14377	2.2
303.23343	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	303.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20190	0.3
54.87696	0.3
55.05514	0.6
56.96565	0.8
57.07074	0.3
62.79073	0.3
67.05508	0.7
68.64883	0.3
69.03429	0.5
69.07081	0.4
70.06591	0.8
70.48242	0.9
71.04981	0.4
72.08151	0.5
74.06138	0.3
79.05476	0.6
81.07071	0.6
84.08136	0.9
85.02914	0.9
85.06509	0.5
86.09712	2.3
87.10038	0.8
93.07060	0.5
95.04979	0.6
95.23389	0.3
97.06531	1.5
98.97578	1.0
107.04938	0.4
110.07154	0.5
111.04388	0.3
116.98617	0.4
118.75372	0.3
118.96734	0.3
121.02880	0.3
123.08131	0.3
129.05443	0.3
129.10286	0.4
137.02380	0.4
137.06000	0.6
141.09126	0.6
141.10213	0.4
143.00209	0.5
155.50993	0.4
158.99661	0.6
200.18385	0.4
209.03754	0.4
221.05016	0.7
231.08879	0.8
285.12534	0.6
303.05032	3.0
303.14157	100.0
304.14578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.5
57.03424	15.0
61.02932	36.2
65.51612	6.6
65.54631	7.5
69.03433	56.6
69.26836	69.4
70.06607	15.2
71.04987	26.0
72.08147	21.6
73.02911	18.1
81.28510	7.4
81.83785	8.0
84.08157	16.5
85.02916	93.4
86.03256	9.7
87.59472	8.6
91.24209	8.2
94.93015	19.7
96.92860	9.0
97.02905	39.5
98.06046	15.0
98.97553	10.1
99.04440	20.2
116.07083	8.7
118.08690	9.5
119.01920	10.3
123.05576	19.4
127.03926	35.4
133.03453	8.2
133.06215	9.7
140.07042	7.6
141.06593	100.0
143.01912	15.0
145.04974	18.5
155.01949	9.2
161.02968	15.7
173.02946	11.5
175.55075	6.8
176.07132	9.5
187.04434	8.5
197.03818	8.5
205.54538	8.7
212.55478	10.2
212.57301	16.9
215.00551	8.4
217.00462	7.9
247.28354	8.5
274.09512	10.3
302.86600	21.9
303.08307	79.6
303.15482	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	303.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73919	0.7
53.03956	0.6
55.05490	1.2
56.96567	37.5
56.96843	1.3
57.29631	0.6
69.03403	1.6
69.26523	5.1
70.06566	1.3
71.95232	0.7
72.08113	1.8
72.98402	0.6
73.06548	3.1
74.97592	1.1
81.03391	1.0
83.97608	2.0
84.08113	1.2
85.02896	1.2
86.09653	1.8
87.10012	0.6
95.08559	0.6
97.02879	1.3
97.99149	0.8
98.97583	12.3
101.06049	3.6
109.02802	0.7
110.07109	1.2
110.97620	0.8
111.04445	0.6
116.97985	0.7
116.98631	8.2
120.74837	0.7
120.75690	0.7
124.32961	0.6
128.98497	0.8
132.08121	4.5
134.99617	2.7
137.05977	1.1
149.02689	0.8
156.01173	0.6
167.03749	0.9
174.02281	31.6
178.01833	1.1
184.00542	0.6
186.02264	1.0
186.16853	0.7
188.03807	4.6
190.00136	0.8
190.01790	0.7
192.03331	36.8
202.01825	1.7
204.03368	2.7
206.04913	7.8
206.08408	1.2
207.02003	2.5
208.02759	1.4
210.04396	3.9
215.04935	17.7
216.03358	0.9
217.06493	8.0
218.01283	1.6
219.01662	0.7
220.02794	4.3
222.04376	3.7
229.02808	3.0
231.04466	2.7
233.05960	8.0
234.04420	0.9
235.07564	5.4
236.02371	1.7
238.03877	1.9
239.11687	0.9
240.05411	1.1
243.04370	8.7
247.03931	3.5
249.05505	1.7
258.04410	2.8
261.05490	100.0
265.04938	1.0
267.11172	3.2
276.05383	1.6
279.06528	54.9
284.07126	3.4
285.12415	3.8
286.03873	1.6
302.07910	1.0
303.06506	6.2
303.10648	3.2
303.14120	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.66092	0.1
53.03939	0.1
55.01864	0.2
55.54390	0.1
65.03939	0.5
67.01853	0.3
67.05502	0.3
68.99788	2.1
69.03430	0.2
69.51292	0.4
69.51595	0.1
71.01359	0.1
72.19191	0.1
79.01840	0.1
81.03416	0.7
91.05503	0.1
93.03410	0.7
95.01310	0.1
95.04971	0.8
95.05840	0.1
97.02948	0.1
98.20793	0.1
103.05479	0.1
105.03385	0.2
105.07018	0.2
107.01318	0.1
107.04950	0.2
109.02891	1.1
110.03671	0.2
111.00811	1.8
111.04440	0.1
115.05472	0.2
117.07016	0.3
121.02860	2.2
123.04438	0.7
127.03924	0.4
128.06230	0.1
129.07004	0.1
131.04919	0.4
133.02821	0.1
133.06467	0.1
134.34946	0.1
135.04419	0.5
136.78101	0.1
137.02345	7.1
137.03377	0.5
139.03883	0.1
139.05424	0.1
145.02864	0.1
145.06458	0.6
147.04367	0.1
149.02362	0.8
153.01831	9.4
155.04942	0.9
155.06094	0.2
157.06496	0.2
159.04416	0.2
161.05997	0.6
163.03902	1.3
165.01836	4.0
166.02631	0.6
167.03476	0.1
171.02988	0.1
171.50662	0.1
173.02415	0.1
173.05992	1.3
176.04578	0.1
177.01805	0.2
177.05452	0.2
179.03421	0.4
183.02887	1.5
183.04436	0.8
185.05994	0.2
187.03911	1.0
191.03381	0.3
191.07059	0.2
193.01390	0.1
194.02173	0.1
195.02913	0.5
201.05467	4.4
203.03394	0.1
205.04939	0.4
207.02945	0.3
211.03897	0.3
213.05507	0.3
215.03406	0.2
217.04984	0.1
219.03065	0.3
219.06563	0.5
228.04181	0.6
229.04959	9.5
230.05377	0.1
232.03651	0.2
233.04405	0.1
239.03436	0.4
245.04465	0.2
246.05399	0.2
247.06000	1.0
256.03687	0.1
257.04449	4.8
258.05072	0.1
259.06125	0.1
274.04736	1.5
275.05325	0.4
285.03937	2.4
286.04669	0.1
303.04984	100.0
304.05258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.1
55.01871	0.2
57.07091	0.1
58.69010	0.1
59.09666	0.1
65.03941	0.5
67.01859	0.3
67.05514	0.2
67.65811	0.1
68.99448	0.1
68.99792	2.1
69.03416	0.2
70.92332	0.1
70.92657	0.1
81.03426	0.6
84.97968	0.1
85.02863	0.1
91.05518	0.1
93.03416	0.6
93.07060	0.1
95.04990	0.7
95.08639	0.1
97.02899	0.1
103.05450	0.1
105.03378	0.1
105.07000	0.1
107.04943	0.1
109.02888	1.2
109.16150	0.1
110.03661	0.2
111.00813	1.8
111.04443	0.1
115.05485	0.2
117.07017	0.3
119.04951	0.1
121.02873	2.1
121.06417	0.1
123.04425	0.5
127.03907	0.3
128.06203	0.1
129.07076	0.1
131.04955	0.5
133.02878	0.1
133.06459	0.2
135.04373	0.5
137.02351	6.7
137.03412	0.5
137.05963	0.1
145.02863	0.2
145.06461	0.6
149.02350	0.8
153.01833	8.8
155.04919	0.8
155.06059	0.1
157.06517	0.2
159.04402	0.2
161.06026	0.5
163.03914	1.1
165.01845	3.7
166.02603	0.5
173.02386	0.1
173.05997	1.3
177.01883	0.2
177.05492	0.3
179.03381	0.3
183.02885	1.5
183.04446	0.8
185.05969	0.1
187.03902	0.9
191.03416	0.3
191.07011	0.2
194.02261	0.1
195.02931	0.5
199.04074	0.1
200.04639	0.1
201.05479	4.2
205.04945	0.4
207.02896	0.2
211.03929	0.3
213.05446	0.2
215.03413	0.2
217.04926	0.1
219.02905	0.3
219.06557	0.5
221.04373	0.1
228.04192	0.6
229.04968	8.5
232.03665	0.1
233.04552	0.2
239.03508	0.4
245.04515	0.1
246.05255	0.2
247.06053	1.3
257.04462	5.1
273.09869	0.1
274.04730	1.4
275.05438	0.4
285.03958	2.2
286.04745	0.2
303.04996	100.0
304.05353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03926	0.1
55.01876	0.3
65.03945	0.6
65.14061	0.1
67.01865	0.3
67.05501	0.2
68.99443	0.2
68.99792	1.8
69.03440	0.2
69.19126	1.0
71.01345	0.1
74.36162	0.1
81.03423	0.7
91.05449	0.1
93.03426	0.7
95.04963	0.6
105.03408	0.2
107.04951	0.2
107.25697	0.1
109.02884	0.9
111.00808	1.9
115.05505	0.2
117.07011	0.3
121.02863	1.9
123.04446	0.6
127.03915	0.3
129.06963	0.1
131.04936	0.3
133.02858	0.1
135.04402	0.4
137.02351	6.6
137.03404	0.5
142.48161	0.1
143.04935	0.1
145.02831	0.3
145.06494	0.7
149.02328	0.9
153.01834	9.6
155.04950	0.8
155.06073	0.2
157.06554	0.2
159.04425	0.2
159.39220	0.1
161.05988	0.7
163.03889	1.4
165.01848	3.4
166.02632	0.5
171.04321	0.1
173.02362	0.1
173.06021	1.4
177.01842	0.2
177.05521	0.2
179.03430	0.3
181.26962	0.1
183.02890	1.4
183.04433	0.9
187.03940	1.1
191.03426	0.3
191.06958	0.2
195.02904	0.4
201.05490	4.4
205.04944	0.5
207.02885	0.3
211.03876	0.3
213.05472	0.2
215.03427	0.3
219.02925	0.3
219.06543	0.7
224.44684	0.1
228.04208	0.5
229.04974	9.2
232.03697	0.2
239.03368	0.3
245.04343	0.2
247.06029	1.2
251.71887	0.1
257.04443	4.6
259.14771	0.1
274.04749	1.3
275.05484	0.3
285.03967	2.0
286.04468	0.2
303.04990	100.0
304.05298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
65.03939	0.4
67.01872	0.4
67.05486	0.2
68.99799	1.8
69.31326	1.3
74.60710	0.1
81.03413	0.6
88.36990	0.2
93.03398	0.6
95.04958	0.6
98.21531	0.3
107.04944	0.3
109.02877	0.9
110.03667	0.2
111.00803	1.9
115.05465	0.2
121.02872	1.7
123.04414	0.6
127.03924	0.4
131.04935	0.4
135.04414	0.4
137.02348	6.9
137.03383	0.4
145.06488	0.7
149.02321	0.7
153.01834	9.0
154.02141	0.2
155.04890	0.8
159.04266	0.2
161.06013	0.3
163.03975	1.1
165.01848	3.0
166.02609	0.6
173.05998	1.1
177.05421	0.2
179.03418	0.3
183.02898	1.6
183.04430	1.0
187.03908	0.9
191.03374	0.4
193.81352	0.2
195.02930	0.5
201.05476	3.9
205.04982	0.5
207.02780	0.2
211.03935	0.5
213.05508	0.2
215.03334	0.3
219.06564	0.4
228.04198	0.5
229.04971	8.8
239.03497	0.3
245.04619	0.2
247.06013	1.3
257.04462	5.0
259.14502	0.2
266.63171	0.2
274.04816	1.1
275.05487	0.3
285.03949	2.3
303.04996	100.0
304.05356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.99858	0.1
55.01857	0.3
62.17897	0.1
65.03942	0.4
67.01851	0.2
67.05500	0.2
68.99790	1.8
70.91549	0.3
71.11287	0.2
81.03405	0.5
86.09655	0.2
91.05469	0.2
93.03398	0.6
95.04960	0.7
103.05490	0.3
109.02885	0.9
110.03635	0.2
111.00809	1.9
117.07040	0.2
121.02856	1.8
123.04430	0.5
127.03913	0.5
131.04953	0.3
133.02789	0.2
135.04402	0.4
137.02351	6.2
137.03409	0.5
137.05931	0.3
145.06566	0.7
145.07489	0.2
149.02313	0.6
153.01828	9.1
155.04897	0.7
161.05980	0.6
163.03929	1.4
165.01846	3.4
166.02621	0.4
173.06030	1.1
177.05449	0.3
179.03473	0.4
183.02887	1.1
183.04448	0.7
187.03925	0.8
191.03438	0.3
191.07109	0.2
195.02927	0.4
200.04672	0.2
201.05478	3.9
203.03307	0.2
205.04942	0.2
211.03873	0.2
213.05437	0.3
215.03354	0.2
217.04903	0.3
219.06483	0.5
228.04160	0.5
229.04962	8.7
239.03532	0.3
247.06036	1.1
257.04440	4.5
274.04736	1.1
275.05536	0.5
285.03961	2.0
303.04987	100.0
304.05322	1.0
317.90723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.3
63.05655	0.3
69.93537	1.3
79.61478	0.3
82.99870	0.5
98.97590	1.9
100.85073	0.3
101.00887	3.2
102.61566	0.2
116.98660	0.8
119.01940	4.1
131.26071	0.3
134.99686	0.3
137.02953	0.5
140.98805	0.8
158.99873	1.8
177.00969	10.0
178.01106	0.6
179.00681	0.7
182.99899	1.0
183.63672	0.3
199.02969	0.3
201.00926	3.1
203.00731	0.8
217.04111	2.2
219.02025	17.3
220.02162	0.9
221.01730	1.4
225.00867	2.5
243.01993	10.7
244.02184	0.7
256.96753	0.5
261.03070	100.0
262.00339	0.3
262.03217	5.6
263.03391	0.6
277.63919	0.3
279.00720	0.9
279.06094	0.3
279.98166	0.5
280.00858	0.5
283.00015	0.9
284.04657	1.7
284.99875	2.8
301.01050	0.7
303.00858	2.8
303.04352	2.1
320.97510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.05038	8.4
56.96555	2.1
57.03444	0.5
57.06823	0.7
57.07078	6.4
58.06607	0.6
60.04496	0.6
63.39162	0.5
67.05507	0.6
69.07072	0.7
70.06590	0.6
70.68272	0.4
70.78617	0.5
70.78976	1.5
71.08630	3.0
72.30701	0.5
74.05666	1.0
74.06082	18.7
81.07066	1.1
85.10192	0.9
88.07636	58.6
93.07048	0.7
95.08624	0.8
98.09700	0.8
98.20803	0.6
98.97590	1.2
105.06995	0.6
106.08685	0.6
107.08568	0.8
109.10165	0.6
111.98732	0.5
116.07101	3.9
119.08575	0.9
122.10490	0.5
126.85626	0.5
129.82454	0.5
130.08649	1.0
131.00180	0.5
134.08127	3.9
141.85242	0.5
149.09531	0.5
150.09940	0.7
161.91864	0.6
169.00822	0.5
178.09428	1.0
203.12724	0.6
210.12123	0.7
242.24794	20.4
270.24377	0.5
278.96823	0.9
279.12531	0.9
281.58432	0.5
284.25882	2.0
286.04565	0.7
287.05145	4.5
302.04129	0.9
302.07352	5.7
302.26923	100.0
302.57321	0.8
303.04947	4.4
303.27197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01863	0.9
55.05505	6.0
56.05027	0.7
56.96574	0.8
57.03432	2.4
60.04520	1.3
61.02921	2.5
67.05508	3.3
69.03427	5.6
69.07069	1.9
69.67725	4.1
70.06601	2.1
71.04996	1.0
72.08160	100.0
73.02926	1.3
74.57980	0.7
79.05490	2.5
81.03416	3.8
81.07060	3.2
82.06594	0.7
84.04509	4.5
84.08154	2.3
85.02910	40.9
85.06538	1.3
86.09711	54.8
89.84657	0.7
91.05492	1.9
93.01546	0.7
93.05796	0.7
95.04996	3.1
97.02892	17.4
97.06550	1.2
98.97614	1.6
99.04464	1.3
100.07679	0.9
103.03974	2.5
108.08126	6.1
109.02859	5.2
109.06508	1.2
110.06069	1.4
111.54259	0.6
112.07630	0.8
114.74500	0.8
116.98652	0.8
118.08672	2.4
120.08153	1.1
122.06023	3.9
125.06011	2.6
126.05544	3.1
126.09194	2.1
127.03930	7.2
129.10281	1.5
132.10202	8.5
136.07579	7.3
140.05975	1.1
140.07063	18.7
140.08081	1.0
143.11806	62.9
145.04958	5.2
150.09193	1.5
152.07072	8.5
154.08667	2.6
157.13377	24.2
163.06065	1.1
164.07077	8.7
171.07642	1.5
171.11299	34.9
178.08646	8.2
182.08136	39.8
185.12863	14.7
203.13914	3.5
206.08141	18.5
218.08194	2.8
219.01715	1.1
221.61787	0.9
231.17061	3.5
236.09253	1.9
248.09213	4.6
284.11282	1.0
287.05197	1.5
302.07416	1.4
302.20697	1.6
303.05035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01875	0.4
55.05511	0.8
56.96566	1.0
57.03445	0.5
67.05514	1.3
68.99790	0.5
69.03429	0.9
69.07082	0.7
70.06594	0.6
71.04993	0.4
71.53659	0.6
75.05600	1.0
79.05520	0.7
80.05843	0.4
81.07058	1.1
83.56648	0.4
84.08137	0.7
85.02909	0.6
86.09710	100.0
91.05486	1.9
93.07046	1.1
95.04965	0.5
95.08639	0.4
97.02890	1.2
97.06494	0.4
98.97552	1.7
103.05491	0.7
105.07053	0.4
107.08664	0.5
107.45902	0.4
109.02863	0.7
110.97618	0.4
115.05496	0.3
116.98579	0.6
121.06519	0.4
121.10133	0.6
122.03712	0.4
122.10434	0.4
122.24628	0.4
123.04355	0.3
124.07610	0.3
127.03927	0.4
128.06226	1.2
129.07010	0.6
131.04898	0.5
132.10210	13.3
133.10118	0.3
137.02365	1.5
137.05986	3.4
138.06258	0.4
143.11803	71.0
146.10466	0.4
153.01826	1.2
157.07600	0.4
158.99631	0.8
163.07614	0.7
165.01872	0.5
169.08598	0.5
171.08089	1.2
171.11296	25.5
175.07516	0.6
177.00777	0.5
181.06435	0.5
188.09193	0.5
189.09042	0.6
199.07578	1.5
201.05452	0.7
210.12056	0.6
219.01628	0.8
229.05029	1.7
237.02855	0.7
245.18669	0.9
257.04471	0.8
257.07437	0.6
258.16940	0.7
266.08020	2.6
266.58246	0.9
271.10239	0.4
274.04651	0.3
275.08609	0.7
281.08484	0.5
284.15851	0.8
284.19308	0.4
287.04996	0.9
302.07358	0.8
302.12155	2.0
302.16632	1.2
302.20154	0.6
303.05011	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93945	0.3
55.01859	0.4
55.05514	0.6
56.96560	1.1
57.03454	1.0
62.63143	0.4
67.05511	1.2
68.05022	1.0
69.03427	1.0
69.07072	4.3
70.06595	1.1
72.08144	0.7
75.05177	0.4
75.05604	8.1
79.05496	1.2
81.03392	0.5
81.07049	0.9
83.04974	0.4
84.08148	0.5
85.02894	0.8
85.06577	0.3
86.09708	100.0
87.04459	0.4
87.05628	0.5
87.10038	0.5
91.05475	0.7
93.07040	0.8
95.04967	1.1
95.08588	0.8
97.02887	1.2
98.06071	1.7
98.97582	1.1
99.06390	0.6
105.07051	0.7
109.02868	0.4
109.10127	0.5
111.00852	0.4
116.98607	0.4
119.08607	0.4
121.02831	0.4
121.10091	0.6
127.03883	0.4
128.07057	0.7
129.06987	0.7
130.06494	0.7
130.07376	1.0
131.08621	0.4
132.10204	14.2
136.06169	0.8
137.02316	1.0
141.43356	0.3
143.11800	76.0
144.06581	1.3
145.10083	0.4
152.07077	0.6
153.01820	1.6
154.06549	1.1
155.06895	1.9
156.08089	1.9
157.08443	2.4
157.10071	0.4
158.09666	4.3
158.99599	0.6
159.10020	7.0
163.03931	0.4
165.01962	0.5
168.08118	2.8
169.08455	5.1
170.08144	0.8
170.09540	0.5
171.10042	1.0
171.11284	24.4
188.09203	3.6
189.12328	2.1
201.05536	0.6
210.12148	0.8
214.08620	1.1
215.08954	2.5
229.04979	1.6
245.18724	0.5
247.06003	0.5
257.04410	0.7
273.11578	0.4
284.15643	0.8
284.23782	0.4
287.04999	1.6
302.04269	0.4
302.07330	1.7
302.10397	0.4
302.11945	0.4
302.16382	0.5
302.19504	2.7
303.04996	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01864	3.7
55.05498	2.7
56.04468	1.5
57.03434	4.2
61.02914	6.9
67.05492	7.3
69.03421	10.4
69.07080	2.2
70.06573	3.6
70.66236	4.9
71.04997	2.4
72.08161	21.4
73.02921	2.1
79.05476	5.6
81.03426	9.6
81.07065	9.3
84.08129	2.5
85.02905	91.3
86.09705	13.1
91.05495	9.6
93.05777	1.5
94.06551	2.1
95.04949	6.5
95.17211	1.7
97.02893	42.3
97.06505	2.1
99.04449	2.4
101.02274	1.5
103.03947	4.8
108.08122	11.3
108.18530	1.5
109.02883	15.6
110.06042	2.0
111.67454	1.8
121.69298	1.5
122.06004	7.5
125.05991	6.1
126.05508	6.2
126.09161	3.9
127.03901	20.9
130.06544	1.9
136.07561	18.0
140.07072	46.1
143.11809	16.4
145.04973	13.8
150.09134	5.1
152.07079	16.6
154.08635	7.4
157.13356	2.8
163.06015	3.7
164.07056	24.3
171.11301	8.2
178.08650	18.5
182.08128	100.0
185.12837	2.1
206.08139	45.2
218.08151	4.2
220.09534	2.0
224.73552	1.9
236.09221	3.3
248.09270	9.2
302.07153	2.5
303.05029	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01867	2.8
55.05512	5.7
55.43527	1.0
56.96530	1.1
57.03431	5.7
57.34670	1.0
61.02921	4.5
67.05517	6.2
67.96741	0.9
69.03432	14.4
69.07063	1.2
70.06583	3.2
70.77890	2.6
71.01344	1.8
71.04994	1.6
72.08157	62.3
73.02905	4.0
79.05486	5.1
81.03420	7.5
81.07061	7.4
82.06615	1.0
84.04489	7.0
84.08134	3.3
85.02907	84.7
86.09706	35.2
91.03937	2.5
91.05470	1.7
93.05817	1.7
94.06557	2.7
95.04986	5.5
97.02894	41.0
97.03526	2.2
97.06508	2.3
98.97569	1.7
99.04405	2.6
101.93900	1.0
103.03941	8.3
106.72313	1.1
107.07316	1.3
108.08114	15.9
109.02891	12.5
109.06509	1.4
112.07635	1.9
116.07010	1.0
122.06062	5.8
122.09649	1.1
125.06011	7.3
126.05512	8.7
126.09141	4.1
127.03923	18.2
130.06491	1.4
132.10211	7.2
136.07582	19.3
140.07072	44.0
143.11806	38.2
145.04970	14.4
150.09193	5.1
152.07063	18.9
154.08630	7.5
157.13387	9.0
163.06084	2.9
164.07076	23.0
171.07646	2.3
171.11287	24.7
178.08621	18.3
182.08133	100.0
185.12865	6.9
203.13934	4.0
206.08121	40.1
218.08145	5.1
221.05540	1.1
231.17068	1.9
236.09235	5.2
243.22377	1.2
248.09221	11.0
279.91187	1.1
287.05203	1.4
302.07449	1.8
303.04874	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01861	2.3
55.05500	1.5
56.96546	1.4
57.03428	4.9
61.02936	6.9
65.03937	1.4
67.05510	6.3
69.03436	14.6
69.07057	3.6
70.06578	4.6
71.04991	1.5
71.12483	2.4
72.08160	22.4
73.02917	2.8
73.54305	1.1
77.98129	1.0
78.02705	1.0
79.05489	5.0
79.53660	1.1
81.03417	8.5
81.07072	6.4
82.06581	1.4
84.04507	2.5
84.08139	4.8
85.02910	82.2
86.09709	21.9
87.01768	1.1
91.03950	1.8
91.05494	1.4
93.05773	1.9
94.06561	2.1
94.41175	1.2
95.04958	5.4
97.02896	40.6
97.06525	2.4
98.97598	2.0
99.04439	2.7
103.03942	8.4
104.07082	2.3
108.08116	10.9
109.02891	13.5
109.06514	2.6
110.06071	1.9
112.07591	2.1
122.06039	7.5
125.06005	6.8
126.05542	7.8
126.09139	4.3
127.03915	20.8
129.10280	1.9
132.10188	1.6
136.07581	19.9
138.05453	1.7
140.07074	53.0
143.11786	14.8
145.04962	16.1
150.09131	5.0
152.07088	22.3
154.08623	6.3
157.13361	4.7
163.06024	1.7
164.07060	24.6
171.11293	9.0
178.08670	16.5
182.08138	100.0
185.12883	4.8
192.10237	1.2
196.60889	1.2
200.10168	1.4
202.08723	1.6
206.08148	40.4
206.10120	2.3
218.08130	4.3
236.09230	4.5
248.09213	12.6
252.18193	1.3
256.09644	1.4
286.04199	1.3
287.05121	2.0
302.07303	2.1
302.15912	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01862	1.2
55.05508	1.8
56.05035	0.9
56.96558	2.2
57.03427	3.2
60.04512	1.0
61.02921	2.6
65.03922	1.8
67.05510	27.1
68.05830	0.7
69.03078	1.2
69.03434	14.3
69.06734	0.9
69.07072	11.5
69.32918	0.7
70.06602	4.6
71.04979	1.2
71.44538	1.1
72.08168	6.0
73.02907	2.6
74.06091	0.8
79.05475	1.7
80.94056	0.8
81.03426	5.7
81.07076	1.9
83.08607	0.9
83.94379	0.8
84.04519	3.8
84.08149	9.7
85.02909	37.3
85.06545	3.8
86.02387	0.8
86.06883	1.4
86.09708	17.8
88.03986	1.1
90.06790	0.8
91.05473	1.1
93.07030	1.5
94.06577	1.8
95.04975	44.0
95.08592	1.3
97.02898	29.5
98.97562	4.3
99.04462	2.6
103.03929	3.4
104.07088	2.2
109.02879	7.9
110.06090	0.8
112.07613	32.6
113.06003	3.9
116.07099	0.9
116.98623	1.5
120.08073	0.9
121.06504	1.7
122.06035	2.1
123.04438	1.6
124.07602	2.7
127.03918	8.0
129.10223	5.9
130.05013	2.1
130.08656	0.8
132.55254	0.8
134.05971	1.3
134.99614	0.9
136.07596	3.4
140.07072	100.0
145.04987	3.5
150.09167	1.1
152.07034	3.6
154.08656	6.8
156.06512	0.9
163.03940	1.1
163.06055	1.0
164.07062	2.3
178.08673	4.0
179.03394	1.6
182.08139	55.3
199.18118	2.1
206.08138	11.9
218.08119	1.0
227.17458	1.9
236.09154	1.8
237.02702	1.4
248.09184	9.7
255.03528	0.9
273.09076	2.2
279.03522	1.6
284.11469	1.0
286.04501	1.1
287.05081	3.2
302.07684	5.0
302.12781	12.1
302.16101	1.3
302.20895	0.8
303.04883	0.8
303.14139	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	301.2165
Annotation	3,11-Dioxo-labda-8(17),13(16),14-triene
Peak:m/z	Relative Intensity
52.73246	1.5
55.01867	4.1
55.05521	15.2
57.03426	3.2
57.07079	30.1
59.04939	1.6
67.05508	44.5
69.03427	5.3
69.06731	1.8
69.07072	22.3
71.05000	8.9
71.05688	3.6
76.39541	1.6
79.05498	11.3
81.07061	21.4
83.04976	6.1
83.08621	4.2
85.06532	7.1
91.05483	15.3
93.07052	17.7
95.04967	17.8
95.08605	17.2
97.06527	4.8
105.07043	11.7
107.04970	3.6
107.07889	2.6
107.08597	36.8
108.11461	1.6
109.06523	15.3
109.10164	78.4
111.03712	2.3
111.04442	25.2
111.08036	2.2
113.09614	2.7
117.07023	4.2
118.04154	1.6
119.06147	1.5
119.08587	58.3
119.15694	1.6
121.06514	5.1
121.10144	12.7
122.07281	3.0
123.08080	17.5
123.11721	2.4
129.05457	1.6
130.07843	2.3
131.08563	6.0
133.10159	10.1
135.08069	26.9
135.11700	8.1
137.09630	55.6
140.01031	1.6
142.07799	2.4
143.08542	4.3
145.10147	9.2
147.08049	3.0
147.11653	3.0
149.09607	5.9
151.07620	2.4
151.93365	1.7
156.09296	2.3
157.10106	6.7
159.11682	3.2
161.09641	11.1
161.13245	4.8
163.11179	6.1
164.91708	1.6
165.09103	2.7
165.12723	9.7
168.00523	9.0
169.10088	2.3
171.11697	6.0
173.09787	2.3
173.13277	6.1
175.11134	2.7
175.14859	3.2
176.11925	1.8
177.12750	2.1
181.08549	3.9
181.12134	2.2
185.13287	4.3
186.01620	6.4
187.14812	2.2
191.14322	80.3
197.13261	2.8
199.14868	2.7
203.14333	1.6
205.15901	7.5
207.13809	2.4
209.13203	2.0
213.12762	2.9
217.15878	5.0
221.15422	5.4
225.16322	3.8
258.05231	2.5
283.20532	8.9
285.03864	11.6
286.04724	66.4
301.07083	84.8
301.16418	3.9
301.21622	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	301.2161
Annotation	Retinoate
Peak:m/z	Relative Intensity
53.03935	6.2
54.41739	2.3
55.05502	8.5
57.07070	8.4
59.05005	2.6
65.03927	2.9
67.05513	15.7
69.03410	8.4
69.07055	8.9
69.82823	12.3
71.04980	9.5
74.89691	2.2
75.03214	2.4
78.70854	2.2
79.05498	13.9
81.07046	25.1
83.04961	4.2
91.05482	30.5
93.07047	31.5
95.04964	14.7
95.08616	24.9
97.06544	13.7
98.20811	3.6
105.07031	51.6
107.08598	45.4
109.06512	36.1
109.10162	29.7
109.38241	2.1
111.08068	4.1
113.81922	2.3
115.05465	3.2
117.07034	18.3
119.08575	57.5
121.06511	8.9
121.10162	29.1
123.08035	6.1
123.11690	7.3
128.06213	4.3
129.06999	6.7
130.07791	5.9
131.08562	53.4
133.10123	43.2
135.08058	30.3
135.11699	10.0
142.07735	5.3
143.08531	20.8
144.09309	4.2
144.85046	2.4
145.10126	57.2
145.11192	2.6
146.07245	6.7
147.08006	3.3
147.11679	16.1
149.09460	2.3
149.13268	8.1
156.09329	4.4
157.10110	11.5
158.10921	18.4
159.08046	5.7
159.11681	14.9
161.09612	68.2
168.00531	3.9
171.11739	12.5
173.09639	3.1
173.13260	100.0
175.11264	3.6
175.14804	12.2
179.08539	2.7
181.09990	2.8
183.11688	6.5
185.13242	8.2
187.13255	2.8
187.14821	8.2
191.14299	29.2
195.11758	4.3
197.13327	3.3
199.14793	10.4
201.12764	4.2
201.16425	3.4
208.12456	3.4
209.13275	12.1
210.14027	3.2
213.12871	3.8
213.16342	2.6
217.15932	2.4
223.14825	7.2
227.14287	7.1
265.19482	10.6
268.10773	2.7
269.12878	4.6
283.20557	13.0
286.04779	14.3
301.07111	18.7
301.21762	20.1
302.30386	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.23141	1.2
55.01873	3.9
55.05523	12.5
56.96555	3.8
57.03444	6.7
65.03919	1.5
66.54235	1.2
66.93932	1.3
67.05189	1.7
67.05509	21.3
69.03419	2.1
69.07067	10.3
70.87878	3.2
71.04990	6.4
71.08649	1.8
73.02890	2.2
79.05495	20.2
81.03420	6.0
81.07056	25.7
83.04974	5.4
83.08613	8.0
85.02890	2.0
85.06585	1.3
91.05478	11.5
93.06487	2.4
93.07048	36.1
95.04962	7.4
95.08613	33.4
97.02905	4.8
97.06535	6.9
97.10175	3.4
98.97569	5.7
99.04445	4.6
105.07024	7.9
107.04967	8.3
107.08596	25.7
109.06484	3.1
109.10147	10.5
110.46424	1.2
111.04462	3.7
111.08081	3.1
113.05983	1.5
117.06997	7.0
119.08573	12.1
121.06509	5.7
121.10149	14.7
123.11705	1.8
125.05981	1.9
126.73931	1.4
129.05469	1.6
129.07040	1.9
131.08548	2.9
133.10083	3.6
135.08087	2.6
135.11697	37.7
137.03635	1.2
137.09631	2.0
139.07498	2.3
143.00124	1.5
143.08492	2.1
145.10123	25.3
147.11617	1.5
153.56969	1.5
155.08574	1.6
158.99724	2.0
159.11703	2.2
163.11183	48.7
168.00534	5.2
173.09543	1.6
181.12276	9.4
185.06161	1.5
186.01511	2.1
191.10655	2.8
192.14516	1.3
209.11542	2.6
217.05051	2.1
227.12793	100.0
229.14384	2.0
237.02933	1.7
251.14769	3.4
255.11163	1.8
258.05206	2.1
269.15720	3.0
273.04001	3.4
283.06567	1.5
283.10687	3.2
283.15396	49.9
283.24170	2.7
285.03915	2.7
286.04742	32.2
286.07657	1.8
301.03473	7.7
301.07040	38.0
301.10724	3.9
301.14005	2.6
301.21457	2.4
301.25040	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	34.7
55.05512	56.7
56.05843	3.0
56.96566	4.4
57.03441	55.3
61.02921	5.3
67.05513	42.3
68.99789	8.8
69.03437	16.3
69.07066	11.6
69.47559	20.5
70.06583	2.7
71.04983	5.8
73.02928	16.1
79.05500	42.7
81.03409	10.4
81.06599	3.3
81.07060	36.3
82.04202	8.3
82.06567	10.3
83.01345	2.9
83.04980	28.1
83.06927	3.6
83.08625	29.0
84.05788	3.1
84.08154	3.0
85.02891	5.3
85.06538	4.2
87.54044	2.3
91.05490	30.3
91.58114	5.2
93.07055	44.3
95.01343	4.0
95.04983	24.0
95.08614	37.2
97.02890	7.6
97.06534	20.5
97.10174	25.8
98.07305	8.2
98.97579	8.4
99.04452	4.3
100.07568	3.8
100.11258	31.0
101.06024	5.5
101.11574	5.2
103.05450	3.0
105.07058	18.4
107.04935	11.2
107.08597	29.2
109.02893	3.1
109.06518	7.9
109.10144	7.1
110.06036	9.4
111.04464	12.6
111.08062	4.7
115.05458	3.0
116.04713	38.4
116.98653	4.2
117.07004	10.7
118.06566	6.0
119.08588	12.8
121.06538	6.4
121.10163	16.0
123.08063	10.3
125.06040	4.1
125.09650	21.5
128.07077	5.3
129.05487	89.4
129.06947	4.5
131.04916	5.1
131.08578	7.8
132.08069	5.9
133.06505	6.4
133.10120	14.7
135.08018	3.7
135.11694	30.6
137.09642	4.6
141.11447	10.7
141.61600	9.0
143.07011	15.4
143.08577	4.8
144.08022	2.9
145.06444	3.1
145.10121	24.0
146.06030	13.2
147.08092	3.9
147.11703	7.9
149.09628	4.4
153.01756	3.0
153.09192	3.3
157.08603	29.1
157.09966	6.5
159.11737	3.7
161.05968	5.2
161.09637	3.0
163.11195	46.5
168.00584	5.5
170.06036	3.6
171.04376	3.2
171.10190	20.0
173.06100	3.5
175.11188	3.6
181.12213	7.6
182.15422	14.8
183.15744	11.9
183.31729	3.0
185.11731	4.9
188.07079	21.6
189.05533	13.6
189.11201	27.7
193.12277	5.5
199.13286	9.8
199.18085	5.8
200.14037	13.4
200.18413	6.8
204.66508	3.7
205.09645	3.3
205.16655	11.2
209.11595	3.4
210.14868	11.2
211.15269	4.5
217.04976	41.5
218.66252	8.2
219.16428	36.4
219.66525	3.1
227.12801	100.0
227.17540	4.4
228.15950	3.7
245.04477	30.7
273.01266	4.8
273.03986	39.3
282.69577	17.4
283.15421	47.4
283.18857	5.0
283.19681	4.9
285.03983	4.7
286.04691	38.5
301.03406	75.3
301.07062	42.8
301.10962	6.5
301.16742	56.3
301.21466	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.3
55.01871	27.9
55.05513	38.8
56.96565	10.3
57.03438	51.2
57.07082	4.0
60.04525	4.6
64.99722	2.6
67.05506	44.6
68.99786	4.9
69.03426	10.9
69.07067	28.4
70.06601	20.7
71.01365	4.5
71.04993	4.9
71.14280	5.6
73.02916	15.1
76.03941	2.5
79.05499	49.8
81.03411	8.9
81.07063	45.5
82.04213	6.0
83.01354	2.8
83.04990	27.7
83.08613	16.6
84.08150	2.6
85.02916	6.8
85.06544	4.8
86.09700	13.0
87.04523	2.8
91.05486	29.9
93.07051	52.9
94.10207	2.6
95.04973	19.2
95.08607	37.9
95.09178	2.8
97.02897	11.2
97.06536	17.8
97.10168	22.3
98.07323	9.8
98.97606	19.2
99.04470	5.6
101.06078	3.4
105.07043	21.4
106.05035	5.2
107.04969	14.6
107.08599	30.6
109.02922	3.1
109.06522	6.3
109.10155	12.0
109.26686	2.9
110.97582	2.8
111.04473	17.1
111.08094	10.6
114.09191	2.7
115.05488	4.3
116.04719	27.8
116.98624	5.5
117.07001	13.6
119.08601	22.7
121.06511	8.9
121.10130	27.4
123.08118	7.0
125.06013	4.4
125.09631	20.7
128.98656	2.4
129.05492	66.8
129.07024	10.0
131.08606	12.2
133.06508	2.9
133.10147	16.8
135.08107	5.5
135.11710	37.7
136.07515	2.5
137.05981	11.4
137.09636	4.8
139.11201	6.1
141.06894	2.6
143.00194	3.8
143.07022	14.5
144.08058	3.6
145.10127	24.8
147.11720	8.3
149.06044	6.5
149.09660	5.6
153.12721	5.8
155.08327	3.4
157.08646	28.9
157.10063	5.2
161.01291	3.4
161.06042	3.8
162.09154	3.6
162.59462	2.6
163.07547	2.9
163.11195	47.2
165.12852	3.6
168.00568	7.3
168.08072	5.1
171.10188	11.9
171.11572	2.5
173.09564	6.8
175.07484	2.5
177.05522	3.4
178.03951	3.0
181.12259	19.7
185.13261	4.1
186.01688	4.4
189.05539	5.4
189.11185	21.3
191.10704	17.8
193.12221	5.4
199.13361	7.9
200.14037	13.2
209.11739	33.9
210.12578	2.7
211.13634	2.5
217.05040	7.8
219.01720	7.0
227.12775	89.1
228.13718	4.5
228.61090	8.9
229.15587	5.5
237.02779	3.6
237.14999	2.8
238.08670	6.7
241.08739	3.1
245.04561	11.4
251.61351	3.7
252.11397	2.9
255.11287	3.4
258.05460	2.7
264.80698	2.7
273.03955	16.2
279.10352	2.9
283.15378	48.1
285.04019	8.6
286.04745	43.9
286.17944	2.4
301.03525	26.7
301.07178	57.9
301.11166	4.2
301.16507	100.0
301.21899	4.2
302.10660	2.4
311.12830	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	301.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41119	0.5
53.03962	0.6
55.01893	0.7
55.05516	2.3
56.96563	1.4
57.03445	1.0
57.07084	0.8
62.84772	0.5
65.03946	1.6
66.64340	0.5
67.05171	1.1
67.05505	10.2
68.99801	0.7
69.03427	4.2
70.06595	7.5
70.83036	0.8
70.83350	0.9
71.04997	1.9
71.06934	2.0
71.94189	0.5
72.08158	2.9
74.09706	3.0
75.10062	0.8
78.24308	0.5
79.05501	5.9
81.03393	0.6
81.07057	22.5
82.60864	0.6
83.04976	7.5
84.04507	1.2
84.08149	3.7
85.02908	5.8
85.06546	100.0
86.09710	5.6
87.10046	0.7
93.03421	2.2
95.04977	7.0
95.08553	0.6
97.02903	1.9
98.06049	0.6
98.97584	3.2
99.04460	0.8
99.08103	0.6
100.11248	0.7
102.05521	0.8
105.03465	0.6
109.06517	7.6
111.04453	10.8
111.08066	0.6
112.07616	0.8
115.03962	0.6
116.07075	2.2
116.97189	0.9
116.98592	1.0
117.07446	0.8
119.04927	0.8
120.08090	0.7
121.02883	2.1
121.06580	0.8
121.10140	0.8
122.06823	0.6
123.93763	0.6
127.03917	0.7
127.07557	44.3
128.98593	0.8
129.05472	6.4
129.10222	1.6
139.03891	5.9
147.06528	3.5
149.05832	0.6
157.04982	4.3
158.99753	0.7
162.05553	0.8
163.03870	1.0
168.00528	2.7
170.10071	0.6
175.06017	3.0
186.01685	1.3
205.21895	0.6
227.17703	0.7
237.02968	1.0
237.90247	0.6
241.08609	0.7
251.57317	0.6
258.05145	1.0
283.11356	1.7
285.03769	1.8
286.04715	12.7
290.40277	0.6
293.09146	0.8
301.07153	15.1
301.12454	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	299.2008
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.19464	1.4
53.66611	1.5
55.05520	8.3
56.96566	4.6
57.03440	2.7
57.07077	3.0
67.05511	11.9
69.03432	6.2
69.07070	8.2
70.11183	6.3
71.04984	2.1
73.39445	1.5
79.05500	12.8
81.07074	15.2
83.04972	4.5
83.08624	9.6
85.06551	2.0
87.04478	1.8
91.05494	14.0
93.07059	14.1
95.04980	41.1
95.08620	13.7
97.06541	4.2
98.20858	1.7
98.97614	5.3
105.07036	26.4
107.04977	2.4
107.08601	21.4
109.06524	18.7
109.10180	11.3
113.09668	2.3
115.05452	2.9
116.98631	2.4
117.07027	6.0
119.08588	35.3
121.06522	9.9
121.10151	15.0
123.08054	3.5
125.09648	3.5
128.06232	3.0
129.07037	4.0
130.07796	3.5
131.08574	12.3
133.10149	12.4
135.08090	15.7
135.11687	4.2
137.09625	6.2
142.07787	6.7
143.08582	12.5
144.09312	3.5
145.06509	2.6
145.10132	41.5
147.08025	3.0
147.11697	5.6
149.09647	4.5
151.11121	1.7
155.08551	7.4
156.09369	7.5
157.10159	16.3
158.07263	3.1
158.10945	1.7
159.08075	3.9
159.11673	12.0
159.90904	1.5
161.09660	9.1
161.13246	3.3
163.11200	5.1
165.07059	1.9
167.08617	3.1
168.09390	2.3
169.10146	10.5
170.10905	2.4
171.08293	1.7
171.11703	11.7
173.09656	10.9
173.13249	12.1
175.11212	2.5
175.14775	1.7
177.09114	1.8
181.10173	4.2
182.10875	4.0
183.11731	6.9
184.12431	1.6
185.09625	3.5
185.13245	8.6
187.11159	3.2
187.14806	2.1
189.12798	6.5
192.09399	1.9
193.10202	2.1
195.11722	4.1
197.09657	2.4
197.13284	13.3
199.11211	5.6
199.14862	9.8
201.12761	4.7
205.12076	1.6
207.11685	5.8
208.12483	2.7
209.13301	3.0
210.10416	2.5
211.11148	3.4
211.14879	5.4
213.12773	4.6
213.16461	3.1
215.14340	4.7
217.15906	4.0
221.13388	1.5
223.14844	7.4
224.91960	1.5
225.12701	9.4
229.07478	2.2
233.13248	1.9
236.40303	1.6
237.16457	2.2
239.18034	2.8
241.15897	7.9
243.13905	7.1
245.09547	1.8
253.19565	8.6
257.18985	7.2
263.17874	3.7
266.87622	1.5
267.11942	3.5
271.20615	2.5
281.19031	21.3
285.58356	1.7
293.98709	1.7
299.05539	5.5
299.09238	3.0
299.20093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Totarolenone
Peak:m/z	Relative Intensity
53.79064	1.6
55.05507	6.8
56.96560	4.3
67.05495	5.4
69.03415	2.7
69.07042	6.1
70.30801	6.4
76.15796	1.7
77.00980	1.9
79.05479	6.8
81.03422	3.5
81.07068	9.0
82.03645	1.5
83.04978	3.8
83.08616	3.2
91.05476	27.2
93.07036	9.0
95.04977	2.2
95.08602	10.4
97.06547	4.2
98.21387	2.2
98.97565	4.2
105.07033	14.1
107.08569	8.8
109.06498	3.4
109.10130	3.8
111.04467	2.5
115.05415	3.6
116.06231	7.7
116.98616	2.6
117.06983	2.9
119.04910	4.8
119.08566	17.1
121.06483	2.7
121.10132	6.9
125.09641	3.2
128.06209	2.0
129.06995	8.5
131.08572	39.1
133.10127	3.4
135.08051	2.6
135.11682	2.3
142.07745	2.2
143.08649	1.8
144.48096	1.8
145.10150	3.7
147.11737	2.4
149.09628	5.5
155.08560	4.3
156.09286	3.0
157.10155	6.0
159.08063	100.0
159.11642	5.2
161.09586	2.6
169.10130	3.5
171.08104	1.8
171.11667	8.0
173.13214	2.2
179.43889	1.6
182.10977	1.8
183.11636	3.8
185.12999	1.8
187.11174	2.3
189.12624	2.7
195.11717	2.8
197.13280	5.1
199.11162	5.1
201.12674	3.6
207.11665	4.2
213.12592	2.0
225.12769	5.3
227.53461	1.8
243.13715	2.6
267.09015	5.1
267.11844	3.3
281.19025	25.3
285.09976	3.8
299.05603	3.0
299.20084	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27506	0.8
55.05490	3.0
55.94404	0.9
56.82791	0.9
56.96568	4.3
57.07063	1.1
67.05511	5.4
69.03426	1.8
69.07061	3.5
70.06577	0.9
71.53485	1.3
74.35610	0.8
79.05479	2.7
81.07058	4.2
83.04972	2.0
83.08632	1.6
85.02918	1.5
91.05486	3.1
93.07046	3.5
95.04948	3.6
95.08598	3.5
97.06544	4.5
98.97581	3.3
105.07030	3.4
107.05039	0.8
107.08601	3.0
109.06525	4.1
109.10134	1.9
116.98669	1.1
119.08576	3.2
121.06504	1.1
121.10124	1.9
123.08018	1.1
129.07011	1.1
130.06447	0.8
131.00189	0.8
131.08566	2.4
133.06534	0.9
133.10150	2.3
135.08078	1.2
135.11613	0.8
143.08585	1.9
145.10144	2.5
147.11702	1.2
149.13199	1.5
150.89795	0.9
155.08508	1.0
157.10123	1.5
159.08121	1.2
159.11673	1.1
161.09634	1.8
171.11664	1.6
173.13307	1.5
177.00633	0.9
185.04820	1.6
185.13217	1.3
187.14784	1.1
209.11504	100.0
243.06616	1.0
243.13370	0.8
243.28267	0.9
267.09039	8.0
267.11807	1.5
271.05927	1.5
283.22757	0.8
284.02899	1.1
285.10080	6.7
290.10828	1.8
299.05676	10.2
299.09122	1.5
299.14700	14.3
299.20065	4.9
299.23715	3.9
317.12695	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05500	2.6
56.96562	1.6
57.03421	1.9
57.07071	1.1
67.05508	4.9
69.07065	2.5
69.85558	4.7
71.04980	1.8
79.05481	2.4
81.03364	1.3
81.07063	4.6
85.02903	1.5
91.05471	4.1
91.78316	0.9
93.07030	3.0
95.04996	1.0
95.08591	2.9
97.02893	1.3
97.06508	4.1
97.10155	1.0
98.97573	2.7
99.04465	1.6
105.06998	4.0
107.04955	1.1
107.08590	2.5
109.06523	1.9
109.10178	2.4
110.50178	0.9
111.04424	1.3
111.08051	1.0
111.52521	1.0
116.98571	1.0
117.07040	1.0
119.08567	3.9
121.06494	1.3
121.10131	1.8
123.08044	1.0
129.06938	1.2
130.06416	0.9
130.94643	0.8
131.08588	1.3
132.95804	1.1
133.10130	3.5
135.11757	1.4
143.08601	1.8
145.10144	1.4
147.11699	1.0
149.09624	0.9
151.11105	1.2
159.11688	1.3
161.09549	1.3
171.08104	1.0
173.13261	1.3
195.09941	100.0
209.11505	1.1
213.19394	1.0
231.10637	1.0
253.13400	1.0
267.09042	1.8
267.12048	2.1
281.13492	1.4
281.18680	1.1
284.03366	1.2
285.09869	1.3
290.10712	1.0
299.05493	5.8
299.09354	2.1
299.14755	19.8
299.19791	5.0
300.18192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	1.9
56.96569	24.8
69.24362	11.5
71.95271	1.2
76.93793	1.1
79.05515	1.5
81.07085	1.7
97.06528	1.3
98.21612	2.1
98.97583	4.7
105.06977	1.9
115.00689	1.6
119.01659	1.7
121.10120	1.7
137.02753	2.2
139.00671	4.2
141.02168	1.8
153.02240	3.0
155.03741	1.4
157.10103	1.4
161.66986	1.2
167.03781	2.8
171.03413	2.8
183.03363	1.3
185.04857	9.1
193.05353	1.5
197.04895	1.3
203.05933	6.6
211.06406	3.0
223.06435	2.7
229.07552	2.5
231.06960	2.3
239.09686	1.6
249.08022	12.1
255.08926	1.5
267.09045	100.0
285.10095	89.6
290.10641	5.0
299.05713	2.3
299.12042	23.8
308.11755	6.4
317.12692	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	299.1127
Annotation	Picein
Peak:m/z	Relative Intensity
56.96578	4.4
58.06593	2.2
61.02930	1.1
67.05510	1.9
69.03452	4.3
69.07062	1.8
69.59927	2.9
69.60331	2.0
69.89558	0.9
70.06593	3.6
71.05002	1.0
72.08168	2.7
72.29104	0.9
73.02938	1.4
79.05498	1.9
81.03430	7.0
81.07083	1.9
83.05017	1.9
83.08645	1.0
84.04507	1.1
84.08147	4.2
85.02908	5.7
85.06573	1.2
86.09709	2.6
91.05475	2.3
93.07034	1.8
95.04953	1.3
97.02910	3.0
97.06518	1.2
98.97588	4.1
99.04440	1.1
102.99708	0.9
107.04967	1.5
109.02895	2.2
109.06473	1.4
110.97564	1.0
111.04441	2.6
112.99111	1.0
116.98613	1.2
123.04376	1.1
125.05969	0.9
127.03938	1.9
127.72712	0.9
129.10295	2.4
135.04372	2.2
136.06201	2.1
137.01262	1.0
137.02362	25.9
137.03418	1.9
137.05978	100.0
155.03407	2.0
158.99611	1.2
163.03912	6.0
191.02826	2.7
213.03998	1.0
218.99677	1.3
230.07884	1.1
235.90427	0.8
237.02766	1.0
244.74161	1.0
253.00201	2.2
260.04434	1.3
267.12280	1.5
271.01248	1.9
299.06006	3.9
299.10370	3.3
299.14560	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	298.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68957	0.3
55.01879	0.4
55.05510	1.0
56.96565	0.8
57.03428	1.3
59.04991	0.6
61.01149	0.5
67.05487	0.4
69.03423	1.1
69.07072	4.1
70.06595	1.2
70.38852	0.5
70.39204	1.2
72.08154	1.0
72.24349	0.3
73.02893	0.4
73.06550	0.9
78.03447	0.5
79.05492	0.6
80.05019	3.0
83.05009	0.5
84.08134	0.8
85.02909	2.5
86.09720	0.7
90.54205	0.4
91.05497	1.1
94.53278	0.4
95.04998	0.4
96.04519	1.6
97.02892	1.2
97.06525	2.0
98.97028	0.3
98.97557	1.9
101.06032	2.6
103.05479	0.3
106.03742	0.4
109.05144	0.6
110.03524	3.5
110.07161	0.8
111.04496	0.4
116.98605	0.8
119.01949	0.8
119.07085	1.3
120.08074	0.4
124.03960	100.0
125.04358	0.5
127.03930	0.7
128.04565	1.2
128.98538	0.3
129.09161	2.3
129.09972	0.6
131.04849	0.3
134.99792	0.4
135.03038	3.1
136.06195	16.3
136.93112	0.3
145.04945	0.7
148.08759	0.3
152.05682	92.4
153.04086	5.8
163.02702	0.3
163.04073	0.4
166.07304	0.8
166.09784	0.5
174.09232	0.4
175.82872	0.3
179.08553	0.5
191.08586	0.5
193.04306	1.2
193.10898	1.2
207.08165	0.8
207.69090	0.4
208.11292	0.6
216.10365	0.4
219.01706	0.5
219.08101	0.4
235.07555	0.8
236.10930	0.4
237.02838	0.4
238.79100	0.4
239.11420	1.9
251.09367	0.4
252.08720	0.8
266.11877	4.8
270.18286	0.4
275.02673	0.6
280.08374	0.3
280.11801	0.8
281.07993	0.5
298.09259	33.1
298.14960	18.4
298.18039	0.6
299.09668	0.5
300.06244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.03434	0.2
57.65649	0.1
61.01152	4.4
69.03423	0.3
71.25638	0.3
74.25883	0.1
75.02706	2.1
75.83804	0.2
94.04102	0.3
95.34643	0.1
97.02893	1.0
103.02138	0.4
119.03529	0.9
120.04433	0.2
136.06187	100.0
137.04634	0.3
145.03195	1.5
146.05968	0.2
155.01634	0.2
160.07672	0.2
163.04257	1.4
231.14046	0.1
266.11673	0.2
267.34717	0.2
298.06519	0.3
298.09729	4.7
298.12808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11509	0.5
55.01876	3.0
55.05498	0.7
56.96542	1.6
57.03436	2.9
57.07076	2.9
58.29513	0.6
60.04524	0.5
60.51513	0.5
61.01154	4.3
61.02927	5.4
65.03912	0.7
67.05495	1.7
69.03156	0.5
69.03433	5.9
69.07055	1.3
70.06599	3.1
71.01387	0.6
71.04985	0.9
71.52494	0.7
72.08153	1.4
73.02896	2.2
75.02684	2.3
79.05468	0.6
81.03400	1.7
81.07043	1.0
83.04981	0.8
83.08623	0.8
84.04488	1.2
84.08131	1.9
85.02908	22.3
85.13196	0.5
86.09708	3.9
87.04474	1.3
91.03983	1.0
91.05475	2.1
92.04993	2.5
93.07021	0.8
94.06570	11.9
95.01325	0.8
95.04965	1.8
97.02898	7.7
97.06554	0.6
98.97568	1.6
99.04433	2.0
101.02371	0.9
101.09634	1.2
103.03930	2.6
103.05455	0.6
104.04970	1.4
106.06558	2.8
109.02861	2.5
110.07157	1.5
111.04462	3.0
115.03913	1.0
115.05444	1.0
116.98608	0.8
117.05757	3.4
118.06538	13.6
119.03519	1.0
119.04945	1.2
119.10705	0.9
120.04469	36.9
120.08118	3.3
121.08415	2.5
122.06001	1.9
123.04466	3.6
127.03882	4.5
129.10202	0.8
130.06544	8.1
132.04454	2.2
132.08095	19.9
134.06049	0.7
136.06172	100.0
136.07547	20.3
139.03908	9.6
141.05461	0.8
142.06503	1.0
143.07281	0.6
144.08080	2.3
145.03137	1.6
145.04956	5.7
146.06015	51.3
148.07562	4.1
149.01216	0.7
150.05508	7.1
150.88779	0.7
151.03906	2.9
151.07465	1.0
156.08084	1.8
158.06001	2.5
158.99712	0.8
159.06808	1.6
160.07581	36.1
163.04227	1.7
163.06027	3.1
164.07019	1.5
168.06583	10.6
168.07974	1.2
169.05032	1.3
172.07585	9.1
174.09164	1.5
176.07123	1.0
178.08556	1.6
180.08087	0.6
183.06805	1.1
184.07549	5.6
185.08321	1.9
186.09169	1.9
190.08519	1.0
191.08630	0.6
191.86337	0.6
196.07588	1.5
198.09137	3.6
202.08682	3.7
204.10207	0.5
208.07567	0.7
208.11266	1.1
214.08604	4.4
217.07280	2.0
218.08469	0.6
220.09703	1.3
225.09727	1.4
226.08720	3.1
231.03354	0.6
232.09625	1.6
238.10773	2.8
239.11330	1.1
244.09706	4.1
248.12967	0.9
256.11798	1.3
262.10831	4.5
266.11392	4.7
266.14246	4.7
274.97308	0.8
280.11823	10.8
293.73041	0.7
298.09738	5.4
298.12836	56.6
298.16461	15.6
298.19934	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	298.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01887	0.3
56.05027	0.2
56.96572	0.5
57.03441	0.4
58.06602	0.3
61.01151	0.8
61.02930	0.4
65.03964	0.2
67.05536	0.2
69.03436	0.9
69.07076	0.2
69.77339	0.8
69.77757	0.4
70.06591	0.5
71.05005	0.3
72.08139	0.3
73.02926	0.3
75.02708	0.3
78.03464	0.3
78.97323	0.2
80.05017	2.8
81.03419	0.4
84.08152	0.7
85.02911	1.4
86.09708	0.4
87.04501	0.2
91.05449	0.2
94.68600	0.2
95.06091	0.5
96.04492	2.2
97.02897	0.7
98.97575	2.2
101.00876	1.8
101.06054	0.3
104.10734	0.2
106.02940	0.2
110.07148	0.5
110.97616	0.2
111.04466	0.2
112.99135	0.3
113.01030	0.2
116.98631	0.8
119.01924	5.9
120.04445	0.2
120.08080	0.3
124.03954	100.0
125.04304	0.3
127.03930	0.4
128.98500	0.2
131.01866	0.2
134.99689	0.3
136.06190	20.0
137.02972	1.4
137.05983	0.5
143.01923	0.4
145.03313	0.3
145.04958	0.3
147.04420	0.2
149.01123	0.2
152.05658	0.8
152.07005	0.4
154.77231	0.2
154.94173	0.4
155.01872	0.2
161.02991	0.4
163.04297	0.2
166.07248	2.0
166.09735	0.3
172.95251	0.2
178.07243	0.8
178.09703	0.3
179.08687	0.2
185.02951	0.8
189.00662	0.2
191.08458	0.2
193.04300	0.3
193.10912	1.0
198.02994	0.2
203.03996	0.4
213.02489	1.1
217.05414	0.4
219.01720	0.3
222.07307	0.3
230.05281	0.2
231.03484	0.7
237.02704	0.3
239.00291	0.3
239.11461	1.3
251.02551	0.6
257.01254	1.5
266.08774	0.6
266.11774	1.5
274.97629	0.3
275.02505	2.2
292.98187	0.4
293.03458	0.8
298.09131	25.0
298.18433	0.7
300.06146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2212
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
50.13902	3.0
53.03945	4.0
55.05498	11.5
57.07077	21.1
63.09644	3.5
66.36513	3.1
67.05505	27.4
69.07071	22.7
70.78413	7.9
74.28180	3.5
77.03929	4.4
79.05514	20.8
80.76824	3.1
81.07056	63.6
83.03700	3.6
83.04977	10.1
83.08614	5.4
85.25868	3.3
91.05488	30.5
93.07049	61.3
95.04992	20.0
95.08609	92.8
97.06524	11.3
105.07029	78.2
107.08585	51.1
109.06509	9.9
109.10165	32.5
111.04428	4.9
117.07008	10.2
119.08591	60.8
121.06490	21.1
121.10148	100.0
123.08051	9.2
123.11709	58.7
129.07021	7.2
130.07767	7.3
131.08589	26.5
133.10135	50.6
135.08046	9.4
135.11700	11.2
142.07776	17.0
143.08549	16.4
144.09309	3.8
145.10143	46.9
147.08054	5.8
147.11691	32.6
149.09549	4.1
153.12723	3.4
156.09352	5.1
157.10132	49.2
158.10965	4.2
159.11708	27.2
160.56825	4.0
161.09612	21.4
161.13219	6.2
169.10229	6.2
171.11682	15.9
173.09688	6.0
173.13257	10.5
175.11157	34.4
175.14830	11.2
183.11687	4.6
185.13213	10.2
187.14845	8.4
189.16385	7.4
193.10213	5.0
195.11786	5.3
197.13246	7.9
199.14865	7.1
201.16383	9.6
209.13336	7.6
211.71030	3.6
213.16397	8.7
215.17982	6.0
223.14842	16.1
227.14243	5.4
237.16322	3.4
241.05457	3.3
241.15880	9.6
269.22617	8.4
279.21085	10.5
286.06549	3.5
297.22110	48.8
297.29654	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	297.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05502	3.3
57.07066	3.6
61.77504	1.1
67.05492	4.3
69.03412	5.3
69.07065	8.7
69.93771	4.4
69.94113	1.9
70.45338	1.0
71.04988	2.1
71.08633	1.3
73.02911	1.7
73.06549	1.9
75.04470	2.2
79.05484	4.8
79.64466	1.1
81.07060	9.9
83.04980	2.6
83.08611	3.4
85.06528	3.0
88.57769	1.2
91.05465	3.2
93.07047	7.6
95.04954	4.5
95.08614	8.3
95.63291	1.2
97.06535	1.7
98.21428	1.3
98.97552	2.3
105.07011	5.6
107.08600	10.6
109.06501	3.0
109.10123	4.8
109.33719	1.4
111.08076	1.2
115.07583	12.4
117.06970	1.2
119.08561	6.9
121.06496	10.0
121.10141	8.3
122.07256	1.8
123.08067	11.6
123.11716	3.7
125.05994	1.2
129.05515	1.3
130.07851	1.1
131.08585	4.8
132.95293	1.1
133.06451	1.3
133.10129	6.0
135.08057	29.6
135.11687	9.4
137.05978	2.4
137.09631	1.5
145.10109	8.0
147.08076	2.0
147.11699	4.5
149.06052	1.8
149.09619	4.0
149.13342	1.6
151.11127	2.6
153.06316	1.2
157.10112	2.0
159.07971	2.7
159.11690	1.7
161.09651	1.3
163.07523	11.5
163.11165	2.2
163.14812	2.0
163.46228	1.2
164.08354	1.6
167.10745	1.0
171.11653	1.7
173.09599	2.5
173.13242	4.2
176.11919	6.0
177.09122	6.4
178.09871	1.5
187.14832	4.5
191.10686	2.1
191.14308	70.9
195.10185	2.8
197.13211	2.3
205.15932	11.2
207.13708	1.6
215.14317	11.1
233.15367	100.0
245.54985	1.2
247.16939	7.7
265.17999	23.6
274.97437	1.7
279.19513	11.1
279.22650	1.7
297.20615	46.3
297.23587	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	297.1697
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
50.67867	2.8
53.03936	9.8
55.01866	10.1
55.05498	11.9
57.03440	17.7
61.02924	9.1
65.03937	4.3
65.50111	3.0
67.05508	28.6
69.03083	4.1
69.03431	45.3
69.07059	14.3
70.06588	4.5
70.58716	9.8
71.04980	15.3
73.02901	13.5
79.05502	26.4
79.48828	3.0
81.03416	25.8
81.07061	46.7
83.04982	12.7
83.08583	4.3
83.77294	3.4
84.55340	3.1
85.02450	5.0
85.02917	65.6
86.09680	4.4
87.04456	5.8
91.03973	3.4
91.05477	28.7
93.07047	100.0
93.07639	4.9
95.04995	17.8
95.08610	39.1
97.02904	30.2
97.06523	9.4
98.97544	4.2
99.04454	14.3
103.03939	11.9
104.19206	2.8
105.07045	55.4
107.04952	7.2
107.08592	87.7
109.02878	9.8
109.06499	11.6
109.10173	31.8
111.04418	7.4
111.08055	4.6
113.06005	4.3
115.03954	9.9
117.06999	11.4
119.07894	3.7
119.08590	32.2
121.06504	6.8
121.10152	60.3
123.04440	10.3
123.08060	8.4
123.11673	9.5
125.05971	3.9
127.03949	19.4
129.06987	7.9
131.08563	23.4
133.06502	5.7
133.10152	40.7
135.08049	9.5
135.11703	83.4
137.05887	3.6
137.09593	6.4
143.08563	9.9
145.04938	14.2
145.06398	4.7
145.10114	23.6
147.08023	6.4
147.11682	38.6
149.09610	8.0
149.13243	7.4
151.11200	9.1
153.12752	32.7
155.08522	5.1
157.10153	11.0
158.99670	3.4
159.08069	10.1
159.11699	23.9
161.09641	5.2
161.13254	9.4
163.11182	11.1
165.12752	9.5
169.10136	3.7
171.11667	6.7
173.09738	4.9
175.11197	10.4
177.12761	13.9
187.11140	5.3
189.12701	13.2
191.10612	3.6
197.13316	3.8
201.12776	7.1
203.14209	4.7
219.13794	9.0
223.05968	6.6
231.13762	9.1
243.13835	11.7
249.14754	6.6
261.14896	22.4
279.15997	32.0
294.21420	3.4
297.11084	3.3
297.16943	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27555	0.4
55.83782	0.4
69.07047	0.4
70.87493	0.7
70.87807	0.6
86.09660	0.5
95.05043	0.4
95.08694	0.4
148.06224	0.4
156.14163	0.3
222.32669	0.3
223.41264	0.4
224.01273	0.5
297.16727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03953	4.6
55.01863	0.6
55.05502	1.2
56.05020	0.3
56.96559	0.4
57.03420	0.5
57.07032	0.3
59.04986	0.4
65.03944	0.5
67.05519	1.5
69.03432	2.3
70.06599	0.5
71.04910	0.8
77.03905	1.4
79.05499	2.9
81.03407	0.9
81.07056	0.5
83.04990	4.6
83.08640	0.3
84.08137	0.5
85.02895	0.9
91.05485	0.5
93.03406	1.3
95.04977	8.5
97.02912	0.4
98.97620	0.4
101.00897	0.3
103.07571	0.3
105.03399	100.0
105.04542	2.9
106.03723	0.4
107.04932	0.3
109.06499	0.4
111.03715	0.5
111.04447	6.8
115.03973	0.3
116.98663	0.3
119.01923	0.3
119.08533	0.3
120.08080	0.4
121.02855	0.8
123.04432	3.1
129.05481	4.8
135.04454	0.4
135.11708	0.4
136.07588	0.5
139.03911	3.5
147.06483	1.5
150.05289	0.3
151.07497	0.3
157.04984	3.3
158.99591	0.3
163.03864	0.5
169.03444	0.4
175.06058	0.9
187.04639	0.3
190.02559	0.4
197.03059	0.4
210.07726	0.3
215.04036	0.7
221.10754	0.3
223.06007	1.9
237.09100	0.3
253.19933	0.5
256.06802	0.3
265.08774	0.3
274.07700	0.6
279.08646	5.0
292.08853	0.4
297.11252	0.5
297.22406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03952	4.5
55.01864	0.4
55.05506	1.3
55.95972	0.3
56.96564	0.8
57.03431	0.3
59.74680	0.3
61.25935	0.3
65.03935	0.8
67.05512	1.7
69.03439	2.0
69.07075	0.5
70.06593	1.4
70.64429	0.9
72.08175	2.0
77.03935	0.9
79.05498	2.8
81.03423	0.7
81.07054	0.8
83.04996	5.2
84.04520	0.4
84.08150	1.1
85.02916	2.1
86.09715	1.0
87.04481	0.5
89.77788	0.3
91.05473	0.3
93.03412	1.4
93.07038	0.5
95.04977	8.8
95.08599	0.6
97.02895	0.9
98.97600	0.9
101.06035	0.3
105.03400	100.0
105.04542	2.8
106.03751	0.4
107.08575	0.3
110.97619	0.3
111.03714	0.6
111.04452	7.9
115.03925	0.4
116.98609	0.5
118.09461	0.5
120.08096	0.7
121.02847	1.6
121.10158	0.3
123.04434	3.8
129.05489	5.9
129.10211	0.6
133.08522	0.3
135.04401	0.6
137.06000	1.5
139.03918	3.8
144.63219	0.3
147.06516	1.6
151.03896	0.6
157.04984	3.0
158.99701	0.4
163.03934	0.7
165.05586	0.4
171.05013	0.5
175.06108	1.5
197.02992	0.7
198.89561	0.3
215.04039	0.8
215.07057	0.4
221.10779	0.3
225.09608	0.3
253.16475	0.4
271.21542	0.3
274.07880	0.5
279.08694	4.6
280.11954	0.5
292.08890	0.4
297.14655	0.6
297.18872	0.9
299.06143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
55.01856	1.9
55.05506	5.2
56.96566	7.2
57.03440	10.6
61.02929	10.8
66.92194	1.7
68.63606	1.4
69.03436	18.1
69.54390	4.5
69.54816	7.1
70.06600	3.4
71.04989	4.2
72.08146	2.1
73.02933	4.7
77.19072	1.7
79.05509	9.3
81.03420	6.4
81.07064	79.4
84.04515	6.6
84.08136	3.0
85.02915	100.0
85.04853	2.3
86.09701	5.9
87.04479	4.0
91.03963	8.3
95.04966	2.3
97.02898	27.7
97.06551	2.8
98.97601	4.4
99.04462	4.9
99.08096	24.4
105.03400	7.0
109.02890	8.3
116.10728	1.5
116.97234	1.4
116.98627	2.2
117.09183	7.7
120.08102	9.1
121.02901	3.3
121.08444	5.3
127.03937	28.7
134.09631	2.9
136.07591	1.8
145.04976	50.5
146.88864	1.5
163.06012	15.8
166.08649	2.6
167.08951	2.4
204.74806	1.6
219.01743	2.2
232.11703	2.2
243.12236	5.1
278.12283	3.4
278.15863	2.0
296.15817	10.8
318.61118	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03938	4.3
55.01880	23.9
55.05281	2.8
55.05517	42.0
57.03426	4.6
57.07074	7.4
59.05005	1.8
67.05511	70.7
68.45039	1.7
69.03424	5.6
69.07072	26.7
70.17548	5.0
71.04977	4.3
71.08638	32.1
75.08609	1.5
79.05072	2.8
79.05500	33.7
81.03426	11.2
81.06601	3.6
81.07063	61.3
83.04984	13.0
83.08631	23.9
85.06544	3.6
85.10156	5.5
86.09704	4.3
91.04988	2.4
91.05492	28.2
93.06491	3.0
93.07050	38.5
95.04998	14.5
95.08621	37.1
97.06531	9.3
97.10170	19.1
98.97549	4.6
99.08106	29.1
105.07047	29.0
107.04957	3.2
107.08603	27.6
109.06512	6.3
109.10159	18.9
111.08103	22.8
111.25323	1.7
113.09654	9.9
117.07008	7.2
119.08606	20.3
121.10159	20.4
123.08073	6.7
123.11700	8.8
125.09649	13.6
127.94421	1.8
128.76114	1.7
131.08562	5.2
133.06549	2.6
133.10139	17.5
135.08066	3.3
135.11720	16.0
137.09624	7.4
137.13225	1.8
139.11192	5.9
141.12833	1.6
143.08537	2.9
145.10153	7.3
147.11703	17.3
149.09612	5.4
149.13274	11.4
151.11192	29.8
153.12733	2.9
157.10069	3.0
159.11699	2.6
161.09641	1.6
161.13289	14.2
163.11194	12.1
163.14830	2.9
165.09181	2.2
165.12773	14.2
166.41078	1.6
167.14308	2.2
171.10220	2.2
171.11586	3.1
173.13275	4.4
175.11230	2.4
175.14845	6.9
177.12729	2.9
179.14314	11.6
181.12309	3.5
184.07289	2.8
185.13248	3.5
189.11208	9.2
193.12242	2.7
193.15930	1.7
199.14745	1.9
207.13803	2.2
221.15370	2.7
231.17665	1.9
231.21127	3.6
240.09906	1.8
241.19449	7.3
249.22137	6.9
259.20618	13.8
277.21652	100.0
295.22711	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	Juvenile hormone I
Peak:m/z	Relative Intensity
53.03949	2.2
55.01865	2.0
55.05519	12.3
57.03436	2.7
57.07081	44.4
65.03943	1.1
67.05180	1.6
67.05510	24.9
69.07071	10.5
71.04993	3.4
71.08608	1.6
71.54909	1.0
73.06575	1.1
74.63474	1.0
79.05502	28.6
79.05960	1.6
81.03423	6.5
81.06597	1.3
81.07064	22.4
83.04979	12.3
83.08613	6.3
85.06551	34.4
91.05492	17.7
93.07056	32.1
95.04956	4.9
95.08617	22.6
97.06539	6.4
97.10181	3.1
99.08075	2.4
105.07042	12.9
107.04948	4.4
107.08598	12.4
109.06512	2.6
109.10169	6.4
111.08070	1.8
113.09633	3.0
115.41125	1.0
117.07043	2.5
119.08588	10.9
121.10153	13.8
123.08067	5.0
123.11691	1.5
127.07568	3.1
129.06996	1.2
131.08545	1.5
133.10146	10.8
135.11693	9.9
137.09637	15.9
138.74382	1.0
139.11183	3.4
143.08597	2.1
145.10129	3.9
147.11671	4.9
149.13257	3.7
151.11154	2.4
153.09099	3.1
157.10072	1.5
159.11703	3.1
161.13264	8.9
163.11185	4.0
167.10661	1.2
171.11722	2.5
175.11191	1.3
177.12723	1.3
179.14326	100.0
185.13264	2.0
189.12730	2.0
227.17870	3.0
245.19055	4.0
263.20087	41.9
277.21698	6.9
295.22610	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03950	15.6
53.08065	1.4
55.01867	4.3
55.05270	2.1
55.05513	22.3
57.03453	2.2
57.07057	5.8
59.04981	1.7
65.03944	2.5
67.05508	42.4
69.03432	2.8
69.07073	38.3
70.12446	1.6
70.12788	5.3
71.05000	3.3
71.08620	5.0
74.45257	1.4
79.05501	29.9
81.03421	62.3
81.06599	2.4
81.07063	45.5
83.04991	15.5
83.08633	10.3
85.06512	2.5
91.05483	20.1
93.07042	30.8
95.04974	37.4
95.08051	2.2
95.08603	16.7
97.06519	2.9
97.10150	6.9
99.08094	2.7
105.07043	19.2
107.08596	23.8
109.06529	8.3
109.10160	14.6
111.08102	1.8
117.06992	2.8
119.08585	11.0
121.09313	1.3
121.10117	9.7
123.08111	3.1
123.11723	6.5
125.09653	5.7
129.07022	2.6
131.08618	2.8
133.10121	14.6
135.08046	4.4
135.11682	7.2
137.13234	3.0
145.10103	2.1
147.08089	2.2
147.11699	12.1
149.13268	4.9
151.11180	42.1
153.09100	4.6
157.10155	2.2
161.13243	10.1
163.14787	6.4
165.12819	10.9
171.11719	4.5
173.11809	1.8
173.13290	2.6
175.11240	2.3
175.14819	4.3
177.12796	2.2
179.14285	5.6
181.97484	1.5
185.13258	1.8
186.12027	1.7
189.12718	2.1
193.12236	2.0
207.13763	4.2
217.19551	2.0
231.21082	10.3
241.19476	7.0
249.22159	6.7
259.20590	8.8
277.21643	100.0
295.22656	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.56203	1.2
53.03944	2.0
55.01871	2.0
55.05278	1.5
55.05518	18.2
57.03445	4.3
57.07077	3.1
61.73509	1.2
65.03939	1.5
65.74392	1.2
67.05508	36.8
69.07066	13.8
69.84155	4.7
71.05008	2.5
71.08638	34.6
73.11621	1.2
79.05502	36.3
79.05959	1.9
81.03428	9.0
81.07066	38.7
83.04974	9.0
83.08627	8.1
85.06557	2.9
91.05494	20.3
93.07051	50.0
95.04966	9.3
95.08056	2.5
95.08616	28.0
97.06544	6.4
97.10174	5.5
98.96750	1.4
99.08102	32.0
105.07043	14.1
107.04955	5.1
107.08602	27.3
109.06551	2.7
109.10162	12.9
111.08114	2.1
113.09644	1.4
117.07063	3.2
119.08572	12.6
121.09321	2.9
121.10152	24.9
123.08133	1.9
123.11655	1.7
125.09624	2.2
129.26045	1.3
131.08585	4.2
133.10130	9.2
135.11702	34.4
137.09616	3.8
140.50600	1.6
141.09100	3.1
143.08548	1.6
145.10152	3.5
147.11693	4.2
149.13272	9.7
151.11179	12.4
153.12735	2.2
157.10181	2.0
159.11688	3.3
161.13229	10.6
163.11171	4.9
163.14899	2.4
173.13144	1.5
177.12788	3.7
179.14323	100.0
189.12704	2.0
195.13885	2.6
221.15395	2.7
235.17006	4.1
241.19553	1.6
248.72682	1.7
259.20624	5.3
277.21643	50.0
295.22687	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	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.02356	0.4
53.03943	2.3
55.01874	4.2
55.05516	10.9
55.05760	0.4
57.03437	1.6
57.07076	2.5
59.04982	0.4
65.03919	0.6
67.05508	24.2
69.03431	2.4
69.07070	12.3
69.75130	0.6
69.75529	1.0
70.62746	0.3
71.05000	2.4
71.08636	16.6
73.06519	0.5
79.05499	14.5
81.03423	10.1
81.07061	18.3
83.04993	6.5
83.08239	0.3
83.08620	3.3
84.55254	0.3
85.06556	2.1
91.05486	7.5
93.07049	18.3
95.04395	0.6
95.04977	10.7
95.08614	13.8
96.83080	0.3
97.06535	7.0
97.10172	3.1
98.20833	0.4
99.08098	10.1
105.04487	0.4
105.07040	5.2
107.04940	0.8
107.07905	0.4
107.08602	7.9
109.06539	2.8
109.10160	8.4
111.08067	1.0
111.11706	0.5
111.45992	0.3
112.27869	0.4
117.06998	1.2
119.08581	5.4
121.06474	0.8
121.10155	6.9
123.08022	1.2
123.11690	1.2
125.09591	1.1
127.11160	1.5
129.06950	1.0
131.08543	1.4
133.10123	4.8
135.07985	0.4
135.11681	3.7
137.09621	6.0
137.13243	0.4
139.11201	3.0
143.08560	0.6
145.10103	1.8
147.11703	2.5
149.09599	0.6
149.13229	1.8
151.11189	15.0
151.14722	0.3
153.12790	1.6
157.10109	0.5
159.11650	1.4
161.13269	1.7
163.11195	1.5
163.14780	0.8
165.12778	1.9
167.10709	0.5
171.11656	0.6
173.13205	0.4
175.14833	1.0
177.12711	0.8
179.14333	3.2
185.13260	0.7
187.13242	0.6
189.12744	0.5
191.14384	0.4
193.12122	0.4
193.15840	0.5
199.14990	0.5
203.12776	1.0
213.00055	0.5
214.00133	0.4
221.15401	3.7
231.21069	0.5
241.19370	0.3
249.22147	1.3
259.20529	0.9
263.20163	2.5
277.21640	49.9
278.22037	0.6
295.22696	100.0
296.23099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03946	5.9
55.01873	17.3
55.05516	39.0
57.03431	3.2
57.07079	3.4
65.03915	2.8
67.05510	56.1
69.03429	2.8
69.07074	37.6
70.26395	8.1
71.04987	6.7
71.08640	8.3
79.05500	37.4
81.03416	17.1
81.07056	60.4
83.04984	13.5
83.08613	9.0
85.06558	3.4
91.05485	27.6
93.06491	3.3
93.07051	47.8
95.04982	16.1
95.08614	49.2
96.72982	2.0
97.06539	15.3
97.10164	17.6
99.08106	7.1
105.07040	20.8
107.08601	23.9
109.06535	8.2
109.10163	26.0
111.08099	2.7
117.07047	5.2
119.08600	23.5
121.06522	2.5
121.10152	22.9
123.08073	23.8
123.11705	7.1
123.22755	1.9
125.09615	11.7
129.07002	3.2
131.08568	6.8
133.10123	18.5
135.11667	13.7
137.09628	30.4
137.13206	2.3
139.11198	22.6
143.08572	4.6
145.10132	8.2
145.88287	2.4
147.11647	9.9
149.09616	2.4
149.13304	10.5
151.07581	5.0
151.11183	13.5
153.09074	2.9
153.12769	3.8
157.10176	5.7
159.11726	5.7
161.13243	5.1
163.11177	2.9
163.14861	3.2
165.09215	3.1
165.12808	5.8
167.10745	2.7
167.14264	3.7
169.10222	2.0
171.11720	5.1
173.13240	10.0
175.11278	2.1
175.14920	4.2
179.14360	5.8
181.12291	7.0
185.13321	4.0
189.11234	9.2
193.12199	2.4
199.14771	3.7
207.13985	2.3
209.13185	2.3
216.30914	1.9
231.21138	8.3
238.11763	2.6
239.11691	2.3
241.19632	6.3
249.22203	19.1
259.20734	9.9
277.21640	100.0
295.06189	2.3
295.22729	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03950	5.1
55.01863	3.5
55.05513	22.0
57.03416	2.2
57.07077	9.6
59.04990	1.0
63.20126	0.7
65.03938	1.3
67.05507	39.9
69.03423	1.9
69.04974	0.7
69.07071	16.7
69.93166	3.5
71.04982	3.1
71.08637	13.7
71.34309	0.8
77.16890	0.8
79.05495	23.7
81.03423	16.6
81.07056	32.5
83.04984	9.4
83.08628	12.0
85.06528	2.7
85.10188	13.2
86.09733	0.8
87.04470	0.9
91.05481	15.8
93.07046	28.0
95.04966	17.9
95.08607	18.8
97.06551	4.6
97.10171	12.5
98.21482	0.9
99.08105	12.2
104.10741	1.7
105.07037	13.6
107.04959	3.5
107.08597	14.4
109.06522	6.1
109.10162	12.4
111.08057	3.7
113.09641	12.6
117.07022	3.0
119.08579	9.0
121.06445	1.1
121.10140	7.8
123.08073	4.6
123.11701	3.0
125.03880	0.8
125.09641	8.5
129.06995	2.6
131.08545	3.6
133.06490	8.1
133.10135	9.7
135.08035	1.9
135.11699	5.8
137.09610	2.4
137.13286	1.2
139.07417	0.7
139.11166	1.5
143.08473	0.9
143.24408	0.8
145.10124	2.9
147.08023	0.8
147.11705	5.9
149.09601	3.8
149.13246	4.0
151.11169	16.5
153.09045	1.6
153.12729	2.0
157.10129	2.6
159.11678	1.7
161.09677	0.9
161.13286	6.7
163.11185	4.6
163.14827	1.4
165.11423	1.5
165.12756	21.2
169.12091	0.8
171.11684	1.6
173.13205	1.5
175.11200	1.3
175.14804	2.0
179.14325	6.1
181.12164	1.0
184.07333	2.5
185.13333	1.3
189.11244	5.9
189.12744	1.8
193.12233	1.2
193.15848	1.3
195.13815	1.5
205.11511	0.8
207.13797	2.5
209.64607	0.9
221.15344	1.0
231.21065	0.9
241.19565	3.0
249.22244	2.2
259.20538	4.9
277.21634	64.6
295.22687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
50.20515	1.4
53.03934	3.5
55.01665	1.5
55.01876	14.7
55.05516	45.8
57.03429	4.7
57.07089	7.4
59.56960	1.7
63.89505	1.5
67.05509	74.9
69.03429	3.5
69.07069	26.2
70.78698	4.1
71.04990	5.3
71.08636	14.3
72.28483	2.0
79.05496	41.0
80.10889	1.4
81.03418	8.5
81.06599	3.5
81.07062	58.2
83.04984	15.5
83.08620	23.6
85.06536	6.0
85.10171	2.3
86.09713	2.2
91.05491	24.4
93.07047	49.9
95.04978	14.9
95.08612	38.3
95.16234	1.6
97.06540	9.6
97.10175	23.2
99.08101	12.9
105.07033	22.3
107.04970	2.0
107.08604	29.9
109.06528	5.6
109.10171	25.2
111.04517	1.8
111.08092	18.8
111.11745	2.0
113.09641	3.6
117.07034	6.5
119.08582	16.8
121.06583	1.8
121.10152	21.1
123.08072	6.4
123.11711	7.4
125.09641	20.4
129.07007	3.6
131.08583	6.2
133.10139	18.7
135.08069	4.9
135.11697	14.0
137.09668	8.4
137.13245	3.0
139.11205	12.2
143.08572	3.1
143.10602	1.8
145.10106	7.7
147.11716	14.7
149.09578	2.4
149.13283	12.9
151.11229	14.3
153.12776	2.1
157.10092	3.6
159.11734	6.0
161.09529	2.1
161.13263	11.1
163.11214	5.2
163.14789	3.9
165.12730	8.6
171.10278	1.6
171.11710	4.4
173.11775	2.7
173.13214	2.1
175.11192	3.9
175.14775	4.3
177.12796	4.2
179.10616	1.6
179.14343	7.0
181.12238	3.6
184.07437	2.8
185.13300	6.0
187.14865	1.5
189.11226	16.8
189.12779	2.5
193.12286	3.5
193.15903	3.3
195.13855	4.6
207.13843	3.6
207.74522	1.8
221.15410	4.2
231.21104	5.4
241.19568	5.4
249.22113	2.0
259.20563	11.7
264.62924	1.6
277.21658	100.0
295.17355	2.7
295.22726	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01860	6.8
55.05518	11.2
57.07059	3.7
58.87517	1.7
65.93968	1.7
67.05506	17.3
69.07066	9.8
69.77831	10.6
71.08633	2.7
79.05506	13.2
81.03407	2.0
81.07056	39.7
82.07361	2.7
82.50183	1.7
82.55318	1.8
83.04967	5.9
83.08592	5.6
91.05476	8.1
93.07050	12.1
93.74191	1.7
94.07363	3.2
95.04978	4.2
95.08598	13.6
96.08929	3.2
97.06520	2.1
97.10155	2.5
105.07030	8.8
107.08575	6.8
109.06529	15.7
109.10142	8.2
111.04456	11.2
111.08090	2.3
119.08586	8.9
121.06532	2.1
121.10144	4.9
123.08041	3.2
125.05989	5.0
125.09638	2.3
131.08553	3.6
133.10121	6.9
135.11681	5.7
137.05984	100.0
143.08528	2.3
145.10109	2.5
147.11650	6.1
149.13269	2.5
151.11191	4.0
157.10100	2.9
159.11755	4.3
161.09595	6.7
161.13249	5.6
163.11243	4.0
165.09082	2.4
165.12752	2.8
175.11206	6.1
184.07335	2.3
193.12198	2.5
203.17960	4.7
221.18993	2.2
231.17453	9.3
249.18585	11.0
259.20218	3.0
275.19977	2.3
277.17938	48.5
277.20914	25.3
295.18954	6.1
295.22180	14.3
298.66977	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.01860	0.4
55.05512	0.5
56.96568	0.3
57.03434	0.3
61.02927	0.4
65.03929	0.4
67.05506	0.4
69.03429	0.7
69.07043	0.9
69.88912	0.2
70.06593	0.8
71.04986	0.2
71.18465	0.4
72.08147	0.9
73.02916	0.5
74.00659	0.3
74.02445	0.5
79.05470	0.4
81.03419	0.6
81.07055	0.6
83.04989	0.2
84.04511	0.5
84.08154	1.1
85.02907	1.6
85.06529	0.2
86.09708	5.6
88.04004	0.2
91.05482	20.7
92.01731	0.2
93.07049	0.6
97.02322	0.2
97.02909	0.7
98.97601	0.9
99.04508	0.2
99.05579	1.3
107.04945	1.0
107.08587	0.3
109.02904	0.2
109.06536	0.7
109.10216	0.3
111.04427	0.2
115.03903	0.3
116.98637	0.4
118.06552	0.8
119.04946	14.3
119.08642	0.2
120.08083	0.4
121.02882	0.3
121.06506	2.6
123.07990	0.2
127.03931	0.5
129.10245	0.6
130.05058	0.5
130.08617	0.8
131.00169	0.3
131.08611	0.2
132.10219	1.9
133.04973	0.4
133.06445	0.2
135.04424	0.5
135.24823	0.2
136.07579	100.0
137.02330	0.3
137.07956	0.3
139.03888	0.4
145.04944	0.5
145.06111	1.6
147.04366	0.9
150.07796	0.5
151.03923	0.6
153.01767	0.2
158.99672	0.4
161.05977	0.3
161.10732	0.7
163.03897	0.8
175.07692	0.2
177.00656	0.3
177.05612	0.2
185.06131	0.2
189.05504	0.4
195.04430	0.2
201.05522	0.3
213.05534	0.5
215.06964	0.3
219.01959	0.2
221.39862	0.2
227.48233	0.2
231.06563	0.5
232.13213	0.3
249.16016	1.5
249.26161	0.2
250.14436	0.7
259.06082	0.4
277.15579	0.2
278.13849	1.3
295.08298	0.2
295.16510	8.6
307.92038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
51.02382	0.3
55.01880	1.6
55.02085	0.3
55.05515	2.2
55.70440	0.3
56.05851	0.5
57.07067	0.9
58.02943	0.4
63.65979	0.3
65.03930	0.4
67.05503	2.6
68.05827	0.9
69.07074	1.7
69.95020	1.1
70.07384	0.6
71.08624	0.5
78.60146	0.3
79.05489	3.2
80.05823	1.0
81.03431	0.6
81.07063	3.5
82.07384	0.7
83.04991	0.6
83.08611	0.8
84.08961	0.5
91.05479	2.5
92.05810	0.7
93.07043	1.6
94.04205	1.9
94.07349	0.6
95.04961	1.2
95.08608	2.3
96.08955	1.8
97.06539	1.5
97.10164	1.3
98.06857	0.6
98.10500	0.4
105.07018	1.4
106.07370	1.0
107.04950	0.8
107.08582	3.6
108.08919	2.4
109.06546	0.6
109.10149	0.8
110.10486	0.5
118.07304	0.6
118.53403	0.3
119.08572	1.2
120.08920	0.9
121.10136	0.9
122.03654	6.6
123.11723	1.6
125.09644	0.7
126.09967	0.6
132.08878	0.8
133.10138	0.7
134.10455	1.2
137.05980	100.0
139.11150	0.3
144.78445	0.3
146.10472	0.6
147.11661	0.6
148.12077	0.5
149.09517	0.4
150.09944	0.6
151.11221	0.8
152.11530	0.8
155.10664	0.5
156.10938	0.3
158.15402	1.4
159.11716	0.5
164.11591	0.4
166.09528	0.3
170.15414	2.5
175.28432	0.3
178.13033	0.4
188.66925	0.3
189.11226	0.5
190.11528	0.3
225.06430	0.4
226.06844	0.9
230.19901	1.0
240.18213	0.5
248.21077	0.4
258.19400	1.1
273.47052	0.3
276.20395	9.0
294.21399	4.2
294.24524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
53.03953	0.3
55.01862	1.2
55.05516	2.1
56.05843	0.5
57.07066	0.7
67.05508	2.2
68.05834	0.7
69.07070	1.4
70.07416	0.7
70.47967	0.9
71.05014	0.3
71.08635	0.4
77.06915	0.3
79.05502	2.7
80.05834	1.2
81.07059	2.8
82.07394	0.9
83.08619	0.8
84.08958	0.5
91.05482	2.0
92.05807	0.9
93.07057	1.4
94.04202	1.8
94.07396	0.8
95.04967	0.8
95.08611	1.1
96.05293	0.4
96.08954	0.8
97.06552	1.5
97.10190	1.3
98.06850	0.6
98.10505	0.6
100.08447	0.4
105.07033	1.4
106.07352	1.2
106.07998	0.3
107.04956	0.5
107.08607	3.6
108.05298	0.5
108.08943	2.9
108.51118	0.3
109.06506	0.5
109.10168	0.8
119.08587	0.8
120.08899	0.7
121.10175	0.6
122.03667	5.6
122.10469	0.3
123.08112	0.3
123.11723	1.6
125.09638	0.7
126.10014	0.4
127.51254	0.3
131.08574	0.4
132.08894	0.4
133.10138	1.0
133.58710	0.3
134.10461	0.7
134.53343	0.3
135.07979	0.3
136.12010	0.3
137.05986	100.0
138.06322	0.4
145.10123	0.4
146.10490	0.5
147.11751	0.5
147.36313	0.3
148.11995	0.3
149.09598	0.7
150.09970	0.7
150.17235	0.3
151.11230	0.4
152.11510	0.8
158.15395	1.3
159.11641	0.4
160.12112	0.3
166.09457	0.4
170.15413	2.2
189.11298	0.5
190.11592	0.6
210.04172	0.3
225.06509	0.3
226.06822	0.9
248.20953	0.4
251.09010	0.3
251.58669	0.3
258.19370	0.7
276.20416	7.0
294.21368	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	294.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26629	0.9
53.03955	1.6
55.01860	4.1
55.05512	31.2
56.96561	1.9
57.03444	6.0
57.07063	1.3
59.05004	100.0
67.05518	10.4
68.05822	1.3
69.03432	3.6
69.07075	7.8
69.96884	4.1
70.07404	1.3
71.04997	9.4
79.05489	7.6
81.03417	2.8
81.07059	11.8
82.07397	1.9
83.04993	5.6
83.08625	14.5
85.02904	5.6
85.06550	1.7
86.09711	2.0
87.04474	48.6
89.06049	1.9
91.05476	2.9
93.07035	4.6
94.07393	1.0
95.04935	2.0
95.06468	1.0
95.08613	6.1
96.08929	2.3
97.06548	2.6
97.10173	22.8
98.97588	3.9
99.04469	7.4
100.98550	1.0
105.07031	2.9
107.08601	7.4
108.08891	1.1
109.06538	1.1
109.10170	5.3
110.10491	1.5
111.04438	2.5
116.98643	1.0
117.05520	1.9
117.07027	1.4
119.08595	2.3
121.10102	4.9
122.10520	2.4
125.09628	18.0
133.10152	1.4
135.11710	2.9
143.10693	1.5
143.27927	1.0
145.10153	1.8
146.10426	1.1
153.12773	2.1
154.05917	1.1
155.10765	1.5
158.99660	1.5
163.11201	4.4
173.11726	7.8
187.11264	1.1
190.14398	1.1
205.98933	0.9
258.19440	1.3
274.09613	2.1
276.15656	1.3
276.20453	3.4
294.21582	8.3
295.15259	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05514	27.8
56.96555	2.2
57.03439	5.8
59.05004	100.0
67.05508	8.2
69.03428	2.6
69.07077	5.4
71.04995	8.8
71.20805	2.0
79.05507	6.8
79.15521	1.0
80.05773	1.0
81.03427	1.8
81.07062	8.8
82.07391	1.0
83.04971	3.8
83.08622	10.4
85.02895	5.6
87.04472	41.1
89.06017	1.7
91.05495	1.7
93.07053	4.0
95.04942	1.5
95.08617	2.5
96.08971	1.2
97.06532	1.9
97.10169	19.0
98.97576	2.2
99.04460	4.8
102.28544	0.8
105.07023	1.7
107.04961	1.2
107.08596	5.8
109.10139	4.0
111.04416	1.7
111.32605	0.8
111.53700	0.9
114.39675	0.8
116.98619	1.0
117.05454	2.3
117.06962	1.0
119.08551	2.0
121.10172	2.6
122.10462	1.5
124.99936	1.1
125.09637	14.2
131.08542	1.1
133.07405	1.0
135.11658	2.2
145.10117	1.9
153.12750	1.9
155.10681	1.4
163.11154	3.0
173.11760	5.2
190.14417	1.8
193.12166	0.9
202.07693	0.9
240.10004	1.1
274.09622	1.4
276.20493	1.1
294.21381	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	294.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01871	8.2
55.05513	90.2
56.96569	25.1
57.03437	6.8
57.07079	4.9
59.05000	6.2
66.98994	3.3
67.05507	100.0
68.05825	4.4
69.03412	7.8
69.07072	22.1
69.33751	7.6
69.34158	22.5
71.05000	7.8
73.02917	7.2
79.05499	32.5
80.05803	4.9
81.03405	7.1
81.07060	47.2
82.07392	7.3
83.04972	16.4
83.08621	47.7
85.02902	30.7
85.06527	4.7
86.09722	10.6
87.04463	15.6
91.05463	19.3
92.05805	4.0
93.07056	22.7
94.07393	7.9
95.08606	36.9
96.08936	8.2
97.02907	7.7
97.06541	18.6
97.10176	77.2
98.97573	21.8
99.09146	3.6
104.10756	3.8
105.07016	16.2
106.07374	5.9
107.08590	27.8
108.08909	7.0
109.10164	91.1
110.10481	8.9
110.43929	3.5
115.03941	5.0
115.38490	3.8
116.98636	11.0
118.72011	3.1
119.08592	15.2
120.08932	4.0
121.02898	3.7
121.10141	11.2
122.10465	6.3
123.08071	3.8
124.99973	7.3
125.09645	78.0
129.06960	4.2
131.00182	3.3
131.08551	5.7
133.04977	5.0
133.10152	8.5
134.10532	4.0
136.12013	4.0
137.09637	8.7
138.52937	3.6
143.10692	5.3
145.10123	10.4
146.10490	4.5
148.12027	4.1
155.10695	21.6
157.04968	14.0
157.12225	4.0
158.99713	4.1
162.13596	4.4
163.03915	10.7
163.11240	11.1
173.11755	86.7
173.13202	5.4
175.11230	3.5
177.00662	3.7
179.01083	3.2
184.07355	7.4
187.13307	14.5
203.09247	5.1
217.05067	3.6
235.06387	4.0
240.09912	4.1
244.99530	3.4
253.07362	5.1
255.62459	3.4
257.54904	3.4
259.09897	5.3
271.08536	21.1
274.09631	11.6
276.20505	19.5
285.13235	4.0
289.09598	19.5
294.13980	7.1
294.17258	4.0
294.21371	14.4
295.15082	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	293.2475
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
50.45924	1.0
55.05511	6.4
57.07080	1.8
63.87708	0.9
64.23528	1.0
65.03936	1.6
67.05508	69.5
69.03434	1.2
69.07066	8.3
79.05493	8.6
81.07060	100.0
83.08626	6.7
85.06563	1.8
85.26792	1.0
85.92873	0.9
90.77013	1.1
91.05483	3.8
93.07055	10.8
95.08611	87.8
97.06506	2.1
97.10164	3.0
99.08100	1.2
101.06010	1.5
105.07019	4.4
107.08595	8.5
109.10162	59.5
111.08070	2.2
111.11735	1.2
115.07590	1.2
117.07047	2.4
119.08562	4.5
121.10159	10.3
123.08123	2.4
123.11716	46.1
125.09609	2.9
125.50256	1.0
127.34347	1.1
129.09134	1.3
131.08578	4.3
133.10141	5.0
135.08051	1.1
135.11691	9.1
137.09583	2.8
137.13249	20.6
139.11180	2.4
145.10126	3.7
147.11691	5.3
149.09641	2.1
149.13240	4.8
151.11201	7.5
151.14828	6.6
155.10649	1.2
159.11691	4.9
161.13246	5.9
163.11227	3.1
163.14757	5.1
165.12756	4.9
165.16348	1.8
169.12354	1.3
173.13263	8.2
177.12794	3.5
177.16408	4.1
179.14342	5.5
182.72891	1.3
187.14804	6.3
191.14297	5.2
197.15340	1.1
201.16383	2.0
205.15886	2.9
209.15347	2.5
219.17470	1.5
219.21059	2.3
223.16954	3.5
237.18468	5.1
243.21075	17.4
244.38527	1.0
251.20001	2.2
261.22131	20.9
293.24750	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03946	1.6
55.05512	10.8
57.07077	1.9
65.03935	2.6
67.05509	99.3
69.07065	9.6
70.81239	2.5
71.04973	1.2
79.05490	16.4
81.07062	100.0
83.04980	1.2
83.08630	6.1
85.06535	2.0
91.05482	6.5
93.07051	16.4
95.08614	82.9
96.30259	1.1
97.06542	2.0
97.10180	3.2
99.08125	1.6
105.07018	3.7
107.08595	9.3
109.10163	32.2
111.08078	1.4
117.07035	2.9
119.08614	5.2
121.10155	9.5
123.08097	2.6
123.11715	19.9
125.09637	1.2
131.08591	6.4
133.10141	3.9
135.11708	7.5
135.12579	1.1
137.09619	2.7
137.13248	9.3
139.11127	1.5
145.10139	5.3
147.11702	3.4
149.09586	1.3
149.13278	4.3
151.11176	3.2
151.14822	4.8
151.39923	1.1
159.11702	4.6
161.13266	2.8
163.11194	3.6
163.14828	3.5
165.12712	2.0
165.16394	1.8
173.13252	6.8
177.12784	3.2
177.16417	3.5
179.14343	1.7
180.20247	1.0
187.14793	5.7
191.14305	2.1
205.15926	2.1
219.21132	2.0
223.16832	2.1
233.22633	1.4
237.18517	2.2
243.21077	9.0
261.22125	9.0
275.20081	3.4
293.21475	2.1
293.24738	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03951	29.8
55.01871	22.3
55.05515	24.8
56.69016	3.6
59.74844	3.6
67.05505	57.4
69.03423	4.1
69.07066	32.5
70.82101	8.5
71.04961	4.1
79.05491	38.4
80.91660	3.2
81.03417	58.9
81.07060	84.6
83.04980	12.0
83.08617	11.7
91.05484	63.1
93.07041	48.8
95.01319	12.5
95.04980	22.6
95.08610	47.9
97.06524	22.4
97.10185	4.9
100.66280	4.2
105.07034	100.0
107.04967	27.4
107.08599	30.3
109.06483	4.6
109.10152	7.3
117.07009	15.0
119.08580	48.7
121.06494	9.2
121.10150	10.9
123.04418	4.1
123.08094	17.9
125.09643	4.6
131.08563	35.2
133.10133	73.0
135.08076	9.0
135.11685	11.6
141.06984	5.0
143.08536	6.2
145.06467	7.9
145.10120	23.6
146.74677	3.3
147.11690	23.1
149.09616	9.2
149.13300	6.2
151.11166	7.2
157.10077	8.1
159.11723	19.3
161.13237	7.2
163.11209	4.1
169.10136	5.7
171.11803	4.4
177.12712	11.4
179.14278	14.0
183.11693	6.3
187.11198	11.2
191.30424	3.5
195.13841	5.3
223.13211	6.7
244.75816	3.8
257.19022	15.2
257.78397	3.5
275.20068	97.2
278.88831	3.2
293.05438	3.9
293.21115	23.0
314.32770	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	5.6
55.01854	7.6
55.05513	65.4
55.26617	1.9
56.65674	1.5
57.03425	3.3
57.07071	2.1
60.13209	1.6
67.05180	2.9
67.05508	40.3
69.03418	4.3
69.07069	12.7
69.83628	3.9
69.84037	6.5
71.04987	5.9
73.79440	1.5
79.05495	100.0
81.03399	4.0
81.07059	34.3
83.04559	2.1
83.04980	21.1
83.08605	20.4
85.06519	1.9
91.04969	3.0
91.05479	31.6
93.07045	44.5
95.04962	6.8
95.08602	16.2
97.06529	3.5
97.10165	25.2
105.07033	32.9
107.04958	44.2
107.08600	72.8
109.06527	2.7
109.10172	20.9
111.08092	4.4
111.20280	1.8
113.83250	1.6
114.63780	1.7
117.07036	8.2
119.08591	26.1
121.06531	1.8
121.10147	23.6
123.08068	1.6
123.11707	9.3
125.09626	29.5
129.06960	3.0
131.08572	14.6
133.10133	26.4
135.08080	9.5
135.11703	3.5
143.08469	2.4
145.10109	13.2
147.11685	15.4
149.09622	88.6
151.11044	2.3
153.09120	5.3
155.10580	2.6
157.10107	2.7
159.11732	9.7
161.13263	5.7
163.11172	3.0
163.14793	2.8
167.10655	2.1
169.10117	2.9
169.12247	4.2
171.10190	5.4
171.11554	2.1
173.11807	2.1
173.13277	6.1
183.11787	2.1
187.13258	2.3
189.11214	18.6
191.14305	3.0
204.40367	1.7
205.12062	1.8
209.15359	8.7
229.19524	10.2
239.17993	3.2
247.20595	4.1
257.19006	17.1
275.20071	98.6
293.21097	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	2.1
55.01874	5.7
55.05515	11.6
57.03433	1.9
57.07077	1.5
59.04977	1.2
65.03907	0.9
65.70496	0.7
67.05508	17.5
69.03416	1.2
69.07072	63.2
69.23191	0.8
69.23522	6.3
71.04986	2.7
71.08631	0.6
79.05495	17.9
81.02989	0.9
81.03430	8.8
81.03877	1.1
81.07057	18.9
83.04989	6.3
83.08642	4.0
85.02909	1.6
85.06505	0.8
85.08954	0.7
91.05484	13.2
93.06490	1.3
93.07049	18.2
94.59359	0.6
95.04970	66.5
95.08609	15.1
97.06528	6.2
97.10155	4.1
99.04420	0.7
99.08127	0.7
100.83345	0.6
103.29628	0.6
105.07033	10.1
107.04956	6.3
107.08598	9.4
109.06532	6.2
109.10143	4.5
111.04453	1.1
111.08083	1.4
117.07013	5.5
119.08591	8.2
121.06504	5.4
121.10141	8.3
123.08039	3.3
123.11672	1.0
124.06672	0.6
125.09624	1.3
129.07004	2.0
131.08572	8.2
133.10146	7.7
135.08051	15.6
135.11697	2.6
137.09625	1.6
139.11192	3.7
141.06979	1.4
143.08536	1.7
145.10121	5.4
147.11719	3.2
149.09645	5.7
149.13304	0.9
149.16304	0.7
151.11183	3.9
155.08565	0.9
157.10136	1.6
159.08125	1.0
159.11711	5.2
161.09584	2.4
161.13234	1.7
163.11151	2.2
171.11639	1.6
173.13338	3.1
175.11130	1.0
177.12779	7.6
183.11699	1.9
191.14313	1.7
201.12752	2.6
203.12866	3.1
207.13817	6.4
209.15414	0.7
211.93573	0.6
219.13820	3.4
223.13240	1.0
225.14880	4.9
229.19574	1.0
237.14856	31.1
243.79250	0.7
247.20601	2.4
251.16446	1.0
257.19043	2.3
260.99857	0.7
275.20065	30.9
293.21118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03846	0.7
53.04051	0.7
55.01741	1.3
55.02033	1.7
55.05366	5.6
55.05667	4.9
57.03324	0.8
57.03563	0.9
57.06969	1.1
57.07215	0.8
67.05341	13.2
67.05750	6.8
69.03310	1.0
69.03641	0.7
69.06902	11.4
69.07330	5.5
69.80579	1.0
69.80980	2.4
71.04854	1.0
71.05194	0.7
79.05316	9.1
79.05834	2.8
81.03318	0.8
81.06883	19.0
81.07420	5.7
83.04803	4.0
83.05331	1.2
83.08443	3.8
83.08985	1.0
85.06387	1.5
91.05299	11.0
91.05933	2.0
93.06863	15.3
93.07515	2.9
94.83493	0.5
95.04784	5.0
95.05441	0.9
95.08421	12.4
95.09094	2.2
97.06336	2.6
97.09964	2.1
97.10625	0.8
98.21077	1.7
105.06846	16.6
105.07626	2.2
107.04769	4.4
107.08405	9.5
107.09196	1.3
109.06324	7.5
109.07154	1.2
109.09967	6.6
111.04360	0.5
111.07880	1.5
111.08579	0.5
117.06828	4.1
119.08389	9.5
119.09327	1.2
121.06314	7.2
121.09953	6.0
123.07860	2.9
123.11533	2.1
129.06819	1.7
131.08382	9.4
133.06306	1.8
133.09941	13.4
133.11034	0.9
135.08029	3.2
135.11490	4.0
137.09450	1.5
139.10979	0.6
141.06889	0.8
143.08397	1.4
145.06331	1.2
145.10121	7.9
147.07878	1.7
147.11699	9.8
149.09610	3.1
149.13077	2.1
151.11185	6.2
152.14661	0.6
155.08424	0.9
157.09967	2.0
159.07887	1.4
159.11691	4.8
161.09586	2.9
161.13286	2.5
163.11195	4.0
163.14764	0.6
169.10037	1.2
171.11523	1.9
173.09477	1.5
173.13263	4.6
175.11046	1.5
175.14651	0.8
177.12582	1.8
179.14177	1.1
183.11572	1.6
185.13184	0.7
187.11064	1.9
189.12602	1.2
191.14186	2.3
197.13165	0.9
199.14548	0.6
201.12785	2.5
207.13820	2.8
215.14175	0.9
215.17827	0.8
219.13779	4.9
229.19377	2.0
231.17554	0.7
233.15327	1.0
233.18896	0.6
239.17957	3.6
247.20566	2.6
249.18301	0.6
255.77156	0.6
257.19006	14.0
265.21603	0.7
275.20065	100.0
293.21118	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.74485	1.3
53.03941	4.0
55.01873	8.2
55.05514	18.9
57.03423	2.4
65.03926	3.3
66.40094	1.4
67.05510	46.5
69.03427	3.3
69.06726	2.0
69.07071	21.5
70.11304	3.0
70.11712	5.1
71.04988	5.2
79.05500	41.6
81.03410	5.9
81.07062	100.0
83.05005	7.5
83.08639	11.5
85.06536	3.5
91.05486	32.4
93.07048	30.1
95.04990	14.1
95.08614	30.2
97.06544	8.7
97.10172	5.9
99.08079	2.2
105.07035	33.7
107.04963	6.4
107.08610	27.2
109.06528	26.5
109.10164	16.2
111.08108	7.7
117.07040	11.7
119.08585	36.6
121.06497	4.0
121.10153	17.7
123.04428	1.9
123.08069	13.8
123.11694	6.4
125.09576	2.9
126.71906	1.4
129.07019	2.4
131.08600	12.2
133.10138	24.1
135.08092	7.5
135.11720	7.8
137.05948	1.7
137.09627	9.1
145.10121	12.5
147.08067	2.9
147.11688	19.1
149.09636	12.4
149.13243	4.3
151.11209	6.0
155.08463	2.0
157.10162	4.6
159.11690	10.1
161.09579	2.6
161.13281	2.7
163.11201	7.8
165.12856	2.8
166.77036	1.7
169.10143	1.6
171.11743	2.7
173.09622	2.1
173.13255	6.4
175.11183	4.0
177.12650	2.5
183.11729	2.4
185.13257	1.9
187.14772	1.7
189.12819	1.8
191.14374	1.7
193.12210	1.9
197.13336	1.9
203.12677	1.6
211.14832	1.7
219.17630	1.6
223.13396	2.4
229.19499	2.3
239.17995	5.2
247.20576	5.4
257.19089	10.3
265.21570	2.7
275.20078	76.7
293.21130	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	2.5
55.01864	7.1
55.05513	39.3
57.03433	4.2
57.07067	1.8
64.04341	1.5
65.03945	2.5
67.05507	39.8
69.03423	5.6
69.07073	16.5
69.19952	1.5
70.93188	3.9
71.04998	4.4
73.36478	1.8
78.43922	1.8
79.05494	52.7
79.62303	1.4
81.03412	4.6
81.07061	41.0
83.04968	5.4
83.08617	19.8
85.06545	3.2
91.05485	40.9
93.07053	32.9
95.04975	17.7
95.08601	29.3
97.06539	10.5
97.10164	21.8
105.07036	40.8
107.04946	6.7
107.08601	100.0
109.06541	10.0
109.10162	16.5
111.08074	3.9
117.07016	5.9
119.06078	1.8
119.08571	22.8
121.06499	4.7
121.10152	19.7
123.08079	4.9
123.11690	4.4
125.09635	20.5
129.06984	2.5
131.08556	17.0
133.10141	24.8
135.08051	5.4
135.11687	8.2
137.09627	13.6
139.11154	6.0
140.40593	1.7
143.08562	2.4
145.10149	16.3
147.08061	2.1
147.11681	14.9
149.09633	15.6
149.13257	3.2
151.11217	4.3
153.09129	2.8
155.10677	1.7
157.10123	3.3
159.11691	11.9
161.09691	1.7
161.13208	3.7
163.11189	7.3
171.10193	4.2
171.11681	3.3
173.11827	2.2
173.13286	5.4
177.12717	2.9
181.08731	1.7
181.12308	3.3
183.11696	4.7
185.13313	1.8
189.11272	14.3
189.12766	2.6
203.12828	4.1
223.13321	4.4
229.19583	4.1
234.08998	1.8
237.14645	2.4
239.17995	6.5
247.20551	3.4
257.19025	16.7
275.20062	99.1
293.21115	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	4.0
55.01876	23.5
55.05512	24.6
55.21503	1.6
57.07064	1.8
67.05505	32.9
69.03417	2.5
69.07073	21.2
70.05393	4.5
71.04997	2.0
72.90443	1.5
79.05492	41.9
81.03416	5.2
81.07053	31.3
83.04974	6.4
83.08618	15.0
85.06563	1.9
91.05482	29.5
93.07047	27.6
95.04969	17.3
95.08600	15.3
97.06533	32.9
97.10179	20.3
105.07031	35.4
107.04966	10.6
107.08594	79.2
109.06527	5.4
109.10179	9.0
111.08114	3.6
117.07005	8.7
119.08592	18.2
121.06491	3.3
121.10144	12.6
123.08059	4.9
123.11738	3.3
125.09625	18.0
129.07018	1.8
131.08562	9.5
133.10147	19.5
135.08044	4.9
135.11684	6.4
137.09624	4.4
143.08539	2.1
145.06509	2.3
145.10127	12.9
146.27443	1.6
147.11671	17.0
148.06871	1.5
149.09634	19.1
149.13297	2.7
151.11194	3.9
153.09061	3.0
157.10124	2.2
159.11702	11.4
161.13307	5.0
163.11182	6.0
165.09161	4.3
169.10101	4.2
171.10260	3.6
171.11696	3.8
173.13298	3.1
175.11215	1.7
177.12779	3.4
181.12219	2.7
183.11739	3.0
187.11166	2.5
189.11211	12.0
189.12675	1.8
197.13287	1.9
201.08273	1.4
209.11720	1.7
221.08110	1.9
223.13283	6.3
229.19528	4.0
233.18993	2.0
237.11188	1.9
239.17999	4.1
247.20616	5.3
257.18997	11.6
275.20065	100.0
293.21121	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.34331	0.8
53.03936	2.8
55.01868	9.7
55.05270	1.3
55.05513	17.0
57.03434	2.3
57.07068	2.1
65.03943	1.0
67.05509	26.9
69.03424	3.0
69.07072	100.0
69.91369	4.1
71.04991	4.6
77.03947	1.1
79.05499	28.7
79.05965	1.4
81.03419	11.2
81.07056	31.5
82.15924	0.9
83.04980	6.9
83.08635	5.5
85.02905	2.7
85.06548	2.6
85.85413	0.9
91.05483	19.8
93.07050	34.5
95.04974	75.3
95.08614	20.9
97.06544	10.9
97.10158	6.7
98.21434	1.2
99.08070	1.2
104.48526	0.8
105.04521	1.0
105.07039	20.6
107.04962	17.4
107.08601	25.5
109.02779	0.9
109.06510	6.2
109.10179	8.5
111.08075	1.2
111.11713	1.4
117.07026	7.8
118.03725	1.0
119.06042	1.1
119.08598	14.3
121.06522	6.7
121.10146	16.8
123.04407	1.2
123.08050	4.8
123.11717	1.9
125.09604	2.8
129.07005	2.3
131.08586	9.3
133.06438	1.0
133.10135	14.3
135.08055	22.6
135.11673	3.6
137.09595	3.4
139.11215	6.9
143.08585	2.0
145.10114	8.5
147.08061	1.1
147.11708	8.8
149.09639	8.9
149.13254	2.2
151.11206	4.4
157.10120	2.1
159.11719	8.7
161.09612	3.5
161.13223	3.6
163.11179	2.7
167.10695	1.1
169.10027	1.6
171.11691	3.0
173.13257	5.3
177.05499	1.5
177.12720	7.8
178.06265	1.5
183.11708	2.1
183.13690	0.9
187.11198	1.4
187.13255	1.4
189.11160	3.0
189.12764	1.6
191.14317	3.4
201.12717	3.5
203.12791	5.9
207.13786	10.1
219.13791	5.8
225.14824	7.2
229.19518	2.2
233.11673	2.3
237.14853	42.6
239.17972	2.8
247.20593	3.5
251.16673	1.8
257.19080	5.8
263.21426	0.9
275.20078	67.9
293.21118	96.1
294.21371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03955	5.5
54.31989	1.0
55.01877	15.6
55.05513	25.9
55.33803	1.0
56.96545	1.1
57.03444	1.2
57.07069	1.9
65.03913	2.6
67.05509	30.9
69.03419	3.7
69.07072	22.0
70.92632	2.7
71.05000	2.9
79.05499	46.3
81.03405	7.0
81.07058	27.0
83.04996	6.0
83.08617	13.3
85.06557	2.2
91.05486	30.2
93.07047	25.8
95.04968	8.8
95.08610	22.0
97.06540	20.8
97.10180	20.1
105.07039	33.7
107.04948	8.4
107.08598	93.2
109.06516	8.2
109.10153	7.8
111.08080	3.2
117.07011	6.8
119.06104	1.8
119.07818	1.3
119.08597	18.3
120.48381	1.3
121.06506	2.6
121.10165	10.6
123.08067	4.7
123.11724	3.2
125.09644	15.5
129.07021	2.2
131.00185	1.3
131.08575	10.5
133.06447	1.5
133.10127	18.6
135.08096	5.5
135.11676	6.3
137.09618	3.1
141.06956	1.3
143.08603	2.0
145.06575	1.7
145.10139	14.2
147.11700	12.0
149.09621	18.2
151.11188	7.5
157.10141	2.4
159.11673	8.1
161.09616	1.7
161.13277	4.6
163.11169	5.8
165.09108	4.5
169.10239	1.9
169.57648	1.2
171.10193	3.0
171.11636	3.1
173.13245	5.5
175.11218	1.8
177.12787	2.0
179.14304	1.7
181.12349	2.7
185.13254	1.4
187.11227	2.5
189.11243	11.7
195.13780	1.7
197.13123	1.4
197.80344	1.2
203.12724	1.2
205.12288	1.3
207.13812	1.6
215.17949	1.6
229.19530	3.5
231.26979	1.1
239.17911	5.7
247.20607	4.5
257.19052	11.6
275.20071	100.0
293.21066	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	3.6
53.61534	1.3
55.01873	11.0
55.05268	2.0
55.05514	21.3
57.03434	2.2
67.05508	37.6
69.03421	1.7
69.07066	19.5
69.26518	11.5
71.04997	2.8
76.21173	1.4
79.05497	32.9
81.03407	5.5
81.07063	59.3
83.04965	5.6
83.08614	10.7
85.06531	2.5
91.05486	28.3
93.07042	26.8
95.04982	10.6
95.08607	24.1
97.06524	14.4
97.10175	7.1
105.06399	2.3
105.07043	27.8
107.04967	8.9
107.08598	36.7
109.06517	12.2
109.10152	11.4
111.08080	4.1
117.07005	7.4
119.08582	20.4
121.06504	4.7
121.10141	14.0
123.08097	8.5
123.11700	3.8
125.09660	8.6
129.07027	2.4
131.08575	16.4
133.10138	20.1
135.08040	5.0
135.11700	6.4
137.09634	4.4
139.11182	1.4
141.07089	1.7
143.08562	1.7
145.10107	13.0
147.11690	13.0
149.09641	14.4
149.13246	3.2
151.11156	5.8
155.08583	2.2
157.10136	2.2
159.11679	9.3
161.13257	4.5
163.11206	11.0
165.09119	3.6
165.12711	3.2
169.10136	1.9
171.10228	1.7
171.11636	3.2
173.11923	1.4
173.13281	5.9
177.12772	2.5
179.14432	1.8
181.12332	1.5
187.11185	2.9
189.11188	6.2
197.13365	2.6
217.92519	1.5
222.96074	1.6
223.13278	1.9
229.19548	3.3
239.17917	7.4
247.20592	7.2
257.19067	12.8
275.20087	100.0
293.21127	28.6
306.80048	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
55.01854	1.3
55.05516	6.9
57.03428	0.8
57.07065	2.5
59.05004	1.3
65.03935	0.9
67.05510	10.0
67.53062	0.9
69.03420	4.0
69.07076	6.1
69.39642	6.5
71.04978	1.6
79.05501	6.1
81.07057	12.4
81.70432	0.8
83.04993	7.5
83.08620	3.0
85.06542	4.4
91.05492	4.0
93.06557	1.2
93.07052	11.7
95.04968	7.3
95.08611	10.0
97.06529	2.3
97.10165	3.0
99.08080	1.0
101.19328	0.8
104.19512	0.8
105.07038	4.1
105.47209	0.9
107.08585	12.9
109.06526	2.8
109.10156	9.3
111.08084	4.1
113.06004	1.8
113.09675	1.9
119.08553	4.9
121.06506	6.7
121.10150	23.8
123.04432	22.2
123.08018	2.3
123.11711	4.5
125.09667	7.3
127.07558	2.1
131.08598	2.9
133.10146	6.0
135.08075	8.3
135.11690	4.6
137.05962	1.5
137.09648	2.5
137.13246	2.2
139.07533	1.1
139.11169	2.2
141.09125	0.9
143.08597	0.9
145.10124	3.7
147.08043	1.5
147.11684	3.2
149.05984	1.8
149.09615	7.5
149.13243	3.1
151.11198	2.5
153.09123	5.2
157.10173	1.8
159.08060	1.2
159.11693	4.2
161.09619	2.2
161.13264	0.9
163.11197	3.7
163.14821	3.2
165.09125	1.1
167.10715	3.2
172.08925	0.9
173.09604	1.6
173.13242	6.8
175.11153	1.8
175.14702	1.1
177.09125	1.2
177.12794	1.6
179.10696	10.4
179.14305	0.8
181.12207	1.9
187.11086	1.8
187.14774	2.1
191.14313	4.2
201.12703	1.9
202.30307	0.8
205.12312	1.9
217.15916	1.4
219.13860	4.0
229.19583	1.2
233.15392	2.5
257.19016	4.7
265.21539	1.1
275.20071	28.1
293.21121	100.0
293.28122	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	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75581	1.3
60.37431	1.4
70.55375	3.9
78.11604	1.4
161.02931	1.6
231.69029	1.4
293.06342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.73403	0.6
53.03945	1.5
54.65082	0.6
55.01867	1.7
55.05511	9.0
56.96554	2.1
57.03443	1.0
57.07061	2.5
59.04995	2.1
62.92664	0.5
65.03918	1.1
67.05504	15.4
69.03424	4.9
69.07070	9.3
69.27860	5.9
71.04992	2.4
71.08608	0.6
78.53159	0.7
79.05490	7.8
81.07057	16.5
83.04984	7.4
83.08622	3.8
85.02908	1.7
85.06541	4.5
85.30621	0.6
86.06073	0.9
86.09695	0.8
88.10220	0.6
91.05473	6.7
93.07050	14.0
94.20042	0.6
95.04977	9.3
95.08614	13.8
97.06547	3.9
97.10171	2.9
98.97585	1.3
99.04427	0.9
99.08073	1.3
105.07038	7.1
107.04999	1.0
107.07869	1.2
107.08598	17.7
109.06524	5.1
109.10153	13.6
111.04429	1.2
111.08075	4.2
113.06034	1.3
113.09654	2.4
117.07037	2.5
119.08583	8.2
121.06510	8.7
121.10152	23.1
123.04429	19.7
123.05338	1.2
123.08084	3.1
123.11706	5.1
125.09625	8.8
127.07564	2.5
129.07005	0.8
131.08572	4.9
133.06604	0.7
133.10123	8.0
135.08046	8.4
135.11731	4.3
137.05972	2.6
137.09593	3.0
137.13258	1.6
138.09972	0.7
139.07553	1.0
139.11147	3.4
143.00125	0.7
143.08572	1.3
145.10118	6.9
147.08070	0.9
147.11726	4.3
149.05992	1.4
149.09618	10.4
149.13240	3.4
151.07559	0.8
151.11214	2.6
153.09114	5.1
157.10139	1.6
158.10774	0.7
159.08034	1.3
159.11713	4.7
161.09613	3.4
161.13254	1.5
163.07605	0.7
163.11140	4.2
163.14906	3.1
165.09135	1.6
167.10651	2.4
171.11676	1.7
173.09612	1.0
173.13268	5.5
175.11154	2.4
175.14833	2.0
177.09119	1.1
177.12805	1.7
179.03525	1.0
179.10695	11.3
181.12247	2.3
183.11641	0.9
185.13264	0.9
187.11253	2.2
187.14853	3.1
189.12769	1.9
189.16391	1.5
191.14345	5.6
193.12306	1.4
197.13242	0.7
199.14865	1.5
201.12724	3.0
203.14493	0.7
205.12245	1.7
205.15883	1.6
215.14389	1.6
215.17944	1.0
217.15927	2.0
219.13855	3.0
226.11700	0.7
229.19508	2.0
233.15410	2.6
233.19083	1.1
239.17926	1.8
247.20572	1.7
257.19022	5.2
275.09164	1.0
275.20074	33.2
278.85782	0.6
293.21118	100.0
293.28262	2.5
293.62985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20305	4.1
51.10073	3.7
53.03948	4.4
55.01875	13.0
55.05502	18.3
56.96555	10.0
57.03439	4.4
67.05515	26.2
69.03415	5.5
69.07071	26.0
70.07400	5.4
70.60701	4.9
70.61031	8.0
71.04996	11.0
79.05502	22.3
81.03419	38.1
81.07063	28.8
82.03748	5.3
82.07367	4.9
83.04977	10.9
83.08614	16.2
91.05489	22.9
92.05843	5.1
93.07047	24.1
94.07364	5.5
95.04971	16.3
95.08610	17.8
97.02890	5.7
97.06543	9.2
98.97599	11.6
105.07027	16.3
107.04961	33.1
107.08596	10.7
108.05299	21.8
109.06503	4.7
109.10156	9.2
111.04441	12.2
111.08099	9.3
111.54518	4.6
119.08564	12.5
121.06509	5.8
121.10211	10.5
122.10531	5.2
123.08054	4.5
129.06984	7.2
131.00191	6.1
131.08525	5.0
133.10129	13.7
135.08067	8.4
145.10127	6.0
147.11682	13.7
149.01227	7.2
149.09613	19.2
150.10001	20.3
157.10109	13.2
158.99626	5.7
163.11093	4.6
175.11223	18.6
193.12253	74.3
214.21432	3.8
224.08115	13.0
225.14845	100.0
225.16959	7.7
229.02864	3.8
252.09445	3.9
269.10327	5.7
269.12766	5.3
274.18875	11.0
284.12585	7.7
292.12473	17.0
292.19922	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.0
56.96560	3.1
57.03450	1.5
58.21777	0.7
59.95395	0.7
61.02934	1.1
67.05511	24.1
69.03426	4.1
69.07075	19.9
69.71829	5.6
70.06244	0.8
70.06570	4.4
71.04996	0.9
72.08156	2.9
73.02909	1.0
81.03412	1.5
81.06985	0.9
83.05009	1.2
84.04496	2.6
84.08151	13.4
85.02908	9.5
85.06553	6.7
86.09700	2.8
91.03965	1.0
92.60703	0.8
94.06565	2.4
95.04973	7.1
97.02896	4.6
98.21494	1.6
98.97574	3.1
110.07180	1.4
111.04453	1.9
112.02199	14.1
112.07614	100.0
112.99133	1.0
113.06013	10.3
116.98657	1.7
120.08121	1.0
122.17244	0.8
127.03910	3.0
128.04243	1.2
129.05496	0.8
129.10246	1.5
130.03250	4.4
130.04831	0.8
130.06540	5.5
130.08643	19.3
130.09602	1.2
131.00151	1.1
131.07060	2.3
132.08109	2.0
132.12350	0.8
145.04951	1.6
155.04639	1.1
159.09172	2.1
161.01282	0.8
163.03880	1.0
173.75916	0.9
175.04453	1.0
177.00636	1.0
207.60054	0.8
227.73129	1.0
229.07809	1.0
230.13884	1.1
233.03329	0.9
237.02873	1.2
255.38043	0.8
275.10150	2.2
292.08530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.01604	1.4
51.02378	1.4
53.03945	5.7
55.01871	1.9
55.05515	19.6
57.03438	1.7
57.05630	1.3
57.07069	2.6
61.69288	1.3
65.03934	2.5
67.05512	35.8
69.07074	18.3
70.27998	5.6
72.78937	1.3
73.57115	1.3
75.76289	1.5
79.05499	68.2
81.03436	1.6
81.06594	2.5
81.07065	47.8
83.04980	3.2
83.08627	12.2
85.06545	4.5
85.69365	1.2
91.05486	29.2
93.07053	100.0
95.04983	7.8
95.08611	29.6
97.06525	2.7
97.10169	6.1
99.08105	3.4
105.04469	1.7
105.07045	20.0
105.67017	1.4
107.04971	5.0
107.08607	56.2
109.06539	3.4
109.10178	17.2
110.56048	1.4
111.08086	2.7
115.07633	1.7
117.07017	4.6
119.08606	15.9
121.10145	52.6
123.08083	3.3
123.11721	4.1
123.53020	1.3
129.07040	2.5
131.08588	10.0
133.10130	17.8
135.08058	3.9
135.11703	58.2
137.13208	1.5
141.09055	1.6
143.08537	3.4
145.10121	6.2
147.08052	2.7
147.11688	11.1
149.09613	6.1
149.13272	32.4
151.07570	1.9
157.10159	3.0
159.11708	5.3
161.13275	8.4
163.11163	4.0
163.14833	9.4
171.11725	5.3
173.13292	3.4
175.11111	3.0
175.14847	5.4
177.12787	2.9
177.16356	1.3
183.11682	1.5
185.13330	3.2
189.12790	3.5
191.14328	2.0
195.13701	2.0
199.14879	2.4
203.14256	1.8
213.16437	2.9
217.15990	1.7
217.19533	4.5
221.15451	2.0
231.20958	1.4
235.05995	1.7
235.17056	3.3
241.19585	6.7
249.18567	1.6
255.17894	1.6
259.20572	12.7
273.18622	2.1
289.41452	1.6
291.19604	22.4
291.23196	76.9
302.97653	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03940	3.8
55.01861	1.0
55.05271	1.3
55.05515	18.1
57.03428	1.0
57.07075	3.2
59.04993	1.5
60.27254	0.9
65.03931	1.6
66.93218	0.9
67.05507	33.5
69.07075	14.9
69.60014	5.6
71.05009	1.0
73.06538	1.4
76.57498	0.9
77.03908	0.9
79.05496	69.9
81.07059	42.9
83.08625	7.9
83.40043	0.9
85.06545	3.7
91.05485	25.8
93.07047	100.0
95.04985	4.7
95.08611	35.5
97.06532	3.6
97.10156	4.1
99.08070	1.0
105.04526	2.5
105.07036	16.2
107.04952	1.2
107.08601	54.9
109.06523	3.5
109.10155	16.1
111.08121	1.7
117.07016	3.3
119.06041	1.1
119.08588	16.3
121.06441	0.9
121.10150	44.1
123.08080	1.9
123.11737	4.2
125.09633	1.4
129.06981	1.8
131.08588	7.0
133.10147	14.1
135.08046	3.1
135.11694	51.1
137.09673	2.2
139.11194	1.0
143.08548	2.5
145.10172	5.6
147.11705	10.8
149.09636	3.3
149.13271	30.8
151.11183	1.3
157.10126	3.1
159.11681	4.8
161.13277	7.8
163.11159	3.0
163.14822	8.1
165.12799	1.2
171.11708	3.5
173.13272	2.6
175.11243	1.1
175.14825	5.4
177.12758	2.7
177.16464	1.1
179.14275	1.4
181.12276	1.2
185.13278	3.2
189.12764	1.4
195.13780	1.1
199.14813	2.8
203.14417	1.4
209.15462	1.7
213.16310	1.4
217.15950	1.2
217.19528	2.0
221.15373	1.6
231.21034	1.2
235.16948	1.8
241.19450	5.5
249.18542	1.7
259.20560	10.1
273.18558	1.6
291.19995	2.7
291.23187	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03940	3.6
55.01860	2.4
55.05515	19.5
57.07064	2.8
59.05001	1.5
65.03938	2.0
67.05508	35.5
69.07073	16.6
70.70010	4.5
79.05500	60.6
81.06599	2.8
81.07063	46.6
81.59343	1.6
83.04969	2.7
83.08623	11.2
85.06558	4.5
91.05492	25.4
93.07054	100.0
95.04964	4.3
95.08617	35.0
97.06536	3.4
97.10180	3.1
105.04520	1.8
105.07047	18.7
107.04958	2.9
107.08607	51.7
109.06536	4.2
109.10154	12.4
111.08095	2.0
117.07015	5.2
119.08594	15.8
121.10155	55.6
123.08056	3.5
123.11709	3.5
123.92979	1.7
125.09627	2.3
129.06981	1.8
131.08572	9.1
133.10156	16.4
135.08012	3.3
135.10710	2.9
135.11699	54.1
137.09619	3.0
143.08519	2.8
145.10106	5.7
147.11726	13.1
149.09616	4.3
149.13275	35.6
157.10130	2.6
159.11716	5.9
161.13246	8.0
163.11172	4.7
163.14851	10.5
165.12796	3.0
171.11684	4.8
173.13254	4.2
175.14827	5.9
177.12737	3.2
177.16347	1.9
185.13257	4.6
189.12689	2.1
198.34074	1.5
199.14867	3.0
203.14349	3.9
209.15399	1.6
213.16403	2.5
215.17961	1.5
217.15987	2.7
217.19481	3.0
221.15289	2.2
235.16904	2.9
241.19479	8.8
249.18640	1.5
259.20551	13.0
259.28259	1.8
291.19788	5.7
291.23193	94.3
304.40076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03931	4.7
55.05514	17.5
57.01968	1.4
57.07058	2.2
63.96677	1.1
64.21918	1.3
67.05508	37.6
69.03426	1.5
69.07066	13.0
71.04671	2.6
73.06534	1.9
79.05495	69.2
81.07058	44.4
83.04976	2.0
83.08621	8.5
85.06553	3.0
91.05487	25.9
93.07047	100.0
95.04964	3.7
95.08613	33.1
97.06520	3.5
97.10204	6.4
105.04559	1.3
105.07026	13.2
107.08595	58.1
109.06513	2.5
109.10162	15.0
115.07603	1.3
116.15598	1.3
117.07008	3.8
119.08594	13.6
121.10151	46.1
123.08053	1.5
123.11687	3.8
125.09696	1.3
129.07018	1.9
131.08548	4.8
133.10120	13.9
134.39186	1.2
135.08035	2.3
135.11693	57.6
137.09612	2.0
143.08530	2.3
145.10107	4.3
147.11676	9.9
149.09604	3.5
149.13274	35.8
151.11093	1.5
157.10100	3.5
159.11705	5.1
161.13309	8.5
163.11179	3.9
163.14819	11.4
171.11705	3.8
173.13243	3.6
175.11147	1.8
175.14813	3.1
177.12737	4.7
177.16412	1.6
185.13194	2.5
189.12822	2.0
194.23236	1.5
199.14874	2.6
203.14301	1.7
209.15427	2.7
213.16426	1.7
217.19519	1.4
221.15495	1.6
231.17459	2.0
235.16974	2.8
241.19548	6.0
249.18361	2.3
259.20636	9.6
261.46524	1.3
291.23184	81.8
313.83432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.77547	1.1
53.03942	6.4
54.37096	1.3
55.01865	5.5
55.05512	25.4
57.03419	2.3
57.07069	2.7
59.04995	1.4
59.63863	1.1
65.03938	1.6
65.83006	1.0
67.05505	44.9
69.03427	2.7
69.07069	21.5
70.88463	2.7
70.88798	1.7
71.04985	2.4
73.06557	1.3
77.03892	2.4
79.05495	73.2
81.03416	6.1
81.07059	58.2
83.01326	1.0
83.04983	6.2
83.08627	10.1
85.06543	4.0
85.15876	1.2
91.05489	36.9
93.07047	100.0
95.04980	12.3
95.08610	46.1
97.06535	4.3
97.10165	5.0
98.13958	1.2
101.06004	2.0
105.04517	1.6
105.06425	0.9
105.07032	25.6
105.07693	1.9
107.04972	6.0
107.08595	53.8
109.06513	4.5
109.10160	16.6
111.04462	1.6
111.08083	3.6
117.07018	8.8
119.08578	21.0
121.06493	5.9
121.10148	45.6
123.04440	2.2
123.08087	9.9
123.11703	3.6
125.09609	1.8
128.06216	1.3
129.07028	5.4
131.08575	11.9
133.06494	3.7
133.10132	18.7
134.63054	1.2
135.08070	7.4
135.11696	49.8
137.09616	4.6
139.07553	1.6
139.11188	1.7
143.08571	4.7
145.10132	9.6
145.16833	1.1
147.08051	5.0
147.11670	10.3
149.09625	10.5
149.13266	27.3
151.07588	2.2
151.11159	3.3
157.10132	4.9
159.07994	1.6
159.11700	7.2
161.09619	7.0
161.13252	8.6
163.11235	6.3
163.12424	1.1
163.14809	6.5
165.09125	3.5
165.12793	1.6
167.10698	2.3
171.11723	5.9
173.09622	1.4
173.13251	3.5
175.11212	5.0
175.14857	3.1
177.12779	3.3
185.13283	4.0
189.12721	4.0
193.12177	1.4
199.14850	2.3
203.14302	2.9
207.13782	2.1
209.15289	2.0
213.16371	2.7
217.19554	1.7
227.17993	1.5
231.17476	2.1
235.16783	2.4
237.16498	1.5
241.19505	4.6
245.18991	4.4
249.18492	2.4
255.17458	3.0
259.20575	8.3
263.20099	3.2
273.18506	23.0
273.21274	1.9
291.19574	41.9
291.23181	60.7
296.31790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.18258	1.0
52.36910	0.9
53.03953	6.7
55.01881	8.4
55.05513	29.5
57.03434	3.2
57.07071	5.7
59.05005	1.2
61.30627	0.9
62.34848	1.0
63.65825	1.0
65.03933	1.9
67.05505	55.9
69.03426	3.7
69.07069	26.6
69.70011	6.7
71.04987	4.1
77.03893	1.7
79.05497	82.9
81.03434	5.3
81.07060	67.2
83.01362	1.6
83.04980	8.5
83.08618	13.4
85.06551	4.4
87.72768	1.0
91.04906	2.2
91.05484	48.1
93.07047	100.0
93.57757	1.0
95.04975	11.1
95.08611	43.8
96.54505	1.1
97.02899	1.3
97.06545	8.3
97.10175	5.7
98.21503	1.8
99.08078	1.6
102.10124	1.0
105.04505	2.4
105.07037	38.1
107.04960	12.2
107.08596	56.5
108.11295	1.2
109.06499	11.8
109.10164	24.1
111.04443	3.2
111.08086	7.4
117.07030	8.7
119.08580	27.9
121.06497	10.8
121.10147	49.7
123.04422	3.3
123.08099	5.4
123.11703	4.8
125.05968	2.6
125.09643	2.6
128.06241	2.7
129.07037	6.7
131.08559	14.1
133.06525	7.9
133.10132	26.5
135.08069	8.7
135.11691	47.2
137.05986	1.7
137.09598	6.3
139.07539	4.5
142.07826	1.6
142.66360	0.9
143.08566	8.3
145.06470	1.4
145.10135	11.6
147.04434	4.5
147.08047	10.6
147.11687	14.8
149.09615	10.1
149.13266	23.1
151.07542	1.4
151.11198	4.4
153.09082	1.5
153.12758	1.9
155.08533	1.7
156.09259	1.1
157.10136	4.8
159.08055	1.4
159.11694	7.9
161.09653	10.9
161.13228	8.9
163.11195	6.5
163.14833	6.0
165.09129	2.3
165.12807	1.1
167.10756	1.6
169.10146	2.0
171.11690	7.9
172.36124	1.2
173.09674	1.7
173.11960	1.2
173.13310	4.2
175.09856	1.3
175.11192	7.6
175.14841	4.7
177.12730	3.2
177.16556	1.4
179.10716	2.3
181.08626	1.9
181.12100	1.1
185.13300	5.7
187.11156	1.5
187.14769	1.6
189.12738	6.2
193.12236	1.4
195.13828	1.4
199.11247	2.6
199.14848	3.4
201.16393	1.2
203.10724	3.5
203.14310	4.5
205.12308	1.2
207.13863	2.0
209.11604	1.2
209.15407	1.7
213.12759	1.6
213.16328	2.3
217.12247	1.4
217.19540	5.1
221.15416	1.3
227.17987	3.3
231.17523	2.6
231.21123	1.7
235.13199	2.4
237.16411	1.8
241.19543	5.5
245.19003	10.2
249.18507	2.3
255.17419	4.2
259.16974	1.1
259.18198	1.1
259.20581	9.5
263.20084	13.8
263.33398	1.2
273.18509	32.3
291.19571	92.2
291.23175	54.7
313.87497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03942	3.6
55.01871	6.8
55.05519	35.0
55.94063	2.6
56.96550	2.7
57.03415	2.7
57.07071	4.4
61.02942	3.0
65.03911	2.9
67.05505	41.7
69.03431	28.3
69.07060	14.6
70.09996	10.2
71.04980	4.7
71.08630	4.3
72.93082	2.6
79.05491	24.5
81.07064	41.5
82.04228	2.8
83.04510	2.9
83.04987	48.0
83.08622	8.0
85.02921	3.1
85.06077	4.5
85.06547	49.0
88.77094	2.4
89.90139	2.6
91.05483	26.8
93.07055	36.9
95.04966	12.2
95.08604	36.6
96.05736	4.4
97.06533	26.4
97.10159	3.7
98.21458	3.4
98.97593	7.0
99.04484	4.2
99.08089	33.7
105.07030	44.7
107.04978	4.6
107.08606	37.4
109.06543	15.3
109.10175	31.2
111.08119	13.4
113.09634	8.9
117.07024	11.3
119.08595	37.9
121.06492	12.0
121.10136	31.4
123.08067	12.4
123.11710	10.2
125.05998	4.1
125.09628	29.4
128.06233	6.2
129.07019	10.3
131.08585	19.7
133.06520	4.7
133.10133	36.6
135.08066	77.1
135.11667	7.9
137.09627	35.4
138.10364	10.8
139.07549	6.7
139.11180	12.2
141.06956	5.2
142.07744	6.2
143.08582	17.4
145.10127	21.2
147.08095	13.3
147.11702	14.7
149.09621	24.4
149.13298	8.6
151.07527	4.7
151.11198	6.1
153.09108	9.2
153.12770	3.6
155.08556	5.2
155.10747	6.7
156.09346	8.2
157.06474	4.7
157.10187	17.7
158.99620	3.5
159.08061	28.7
159.11723	13.4
161.09651	43.6
161.13229	11.1
163.11224	7.4
165.09138	14.6
170.10941	5.9
171.08061	9.7
171.11681	21.7
173.09619	16.1
173.13257	15.9
175.11157	14.6
175.14793	4.0
177.12787	7.4
179.14319	4.0
183.11679	3.5
185.09627	13.3
185.13228	14.7
185.15862	3.4
187.11163	9.4
187.14726	12.4
188.08420	2.9
189.09128	5.3
189.12773	31.7
191.14276	16.7
195.11678	6.4
197.13329	7.0
198.10448	6.6
199.11200	14.6
201.12761	5.6
203.10695	3.3
203.14369	10.6
204.79305	2.9
207.13837	2.8
213.12723	25.3
213.16321	4.0
215.14314	17.3
217.12238	9.2
227.18021	7.4
227.64070	2.8
229.15910	5.7
231.13828	8.4
231.17462	7.9
237.16324	3.4
245.08102	7.8
245.19069	8.6
255.17458	24.8
273.18494	69.5
291.08951	5.5
291.16086	5.5
291.19547	100.0
291.22858	4.7
291.26776	4.1
300.67697	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	2.2
55.01871	12.3
55.05513	12.2
56.96566	0.8
57.03434	4.8
57.73291	0.7
62.01885	0.9
66.74282	0.8
67.05178	1.2
67.05511	19.3
69.03434	4.2
69.06741	1.3
69.07072	20.3
70.29504	0.8
71.04992	4.2
76.10806	0.8
77.03877	0.8
78.08956	0.7
79.05497	23.1
81.03419	16.1
81.07059	20.9
83.04985	9.8
83.08627	3.8
85.02888	1.1
85.06528	2.4
89.09252	0.8
91.05484	21.9
93.07045	21.5
95.04971	10.8
95.08608	21.5
97.06538	11.7
97.10159	2.9
98.97584	2.5
99.04429	2.8
99.08080	1.1
103.05450	1.0
105.07037	18.4
107.04960	55.8
107.08595	13.7
109.06516	14.3
109.10163	5.4
111.04455	15.6
111.08076	1.6
115.05467	1.0
117.07022	8.6
119.04915	0.9
119.08586	13.4
121.05769	1.1
121.06528	9.9
121.10143	7.7
123.08057	6.3
123.11712	1.1
125.09618	2.1
129.06999	5.6
131.08577	11.4
133.06502	4.0
133.10132	7.5
135.07129	1.5
135.08064	18.5
135.11679	2.6
137.09628	5.8
139.07516	1.6
139.11253	1.3
142.07759	0.9
143.08546	4.7
145.10129	6.6
147.08051	5.1
147.11742	4.7
149.09624	31.9
149.13194	1.2
151.07544	2.0
151.11176	1.9
153.00092	0.9
153.09126	4.7
157.10172	5.7
159.08061	1.3
159.11716	4.8
161.09647	6.1
161.13266	1.4
163.11191	2.9
165.12711	1.2
169.10083	1.5
171.11693	3.5
173.09583	1.3
173.13315	1.5
175.11169	5.0
177.12718	3.3
179.10707	1.8
185.13235	1.8
187.11160	1.6
189.12738	2.5
193.12271	2.0
195.13676	1.0
199.11243	1.2
203.10669	1.0
203.14359	0.9
205.12140	1.3
207.13885	1.0
212.83960	0.8
217.15916	3.7
219.13879	1.4
221.11752	2.3
227.17906	1.7
229.23721	1.1
235.13306	3.0
235.87344	0.8
237.16307	1.1
245.19044	2.9
249.14951	1.6
249.18387	0.9
255.17421	3.2
263.20145	3.2
273.15512	1.0
273.18481	20.7
276.86133	1.1
291.11838	3.7
291.19550	100.0
291.26718	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03929	1.2
55.01880	1.7
55.05513	7.0
57.03428	2.8
57.07069	1.1
59.04985	1.3
67.05509	6.8
69.03426	3.3
69.07068	10.2
70.14756	3.2
71.04990	1.3
79.05494	11.8
81.03411	1.0
81.07053	13.4
82.81490	0.8
83.04999	2.3
83.08622	3.8
85.02918	1.3
85.71379	0.9
91.05490	10.7
93.07042	25.0
95.04960	3.2
95.08607	10.4
97.06525	2.8
97.10172	1.2
98.97595	3.1
105.07033	12.2
107.04979	7.3
107.08599	13.0
109.06517	23.1
109.10160	4.5
111.08084	2.3
111.11719	3.2
115.05434	1.1
117.06995	4.1
119.08585	9.3
121.06496	2.1
121.10147	33.1
123.08060	3.9
123.11728	2.6
125.09628	3.8
126.19841	0.8
128.06210	1.3
129.06999	2.8
131.08586	5.5
133.06497	2.3
133.10127	3.6
135.08070	14.7
135.11682	1.9
137.06073	0.8
137.09561	2.1
139.11182	2.6
141.06949	0.9
143.08574	1.7
145.10109	6.1
147.08055	2.3
147.11687	3.3
149.09610	14.6
149.13268	1.9
151.07547	3.5
155.08534	1.2
156.09425	1.1
157.10139	3.6
159.11696	1.9
161.09601	3.4
163.11293	1.3
163.14830	1.0
167.10681	100.0
169.10162	1.3
171.11748	3.4
173.09636	1.0
173.13251	2.1
175.11220	2.3
175.20958	0.9
175.64844	0.9
182.10869	1.1
185.13266	0.8
189.12776	2.8
191.10686	3.2
191.14268	3.4
197.13319	1.9
199.14926	1.1
203.14233	1.1
207.13814	2.2
211.14587	0.9
215.14310	2.9
217.15863	3.3
231.17552	1.0
233.15370	11.7
255.17464	3.9
256.82193	0.9
273.18472	16.9
291.19547	28.0
291.26700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.17884	0.1
53.03940	0.5
55.01633	0.2
55.01875	1.9
55.05512	6.7
57.03443	0.5
57.07067	0.3
57.36130	0.1
59.04990	0.3
61.26282	0.1
64.90001	0.1
65.03922	0.3
67.05505	3.7
69.03429	1.0
69.06733	0.2
69.07071	2.5
69.78999	0.2
69.79417	0.4
71.04980	0.5
71.22657	0.1
73.02900	0.1
77.03931	0.2
79.05494	5.0
80.06257	0.1
81.03413	0.7
81.07057	5.0
83.04999	0.7
83.08617	3.0
83.62775	0.1
85.06527	0.3
91.05481	5.4
92.06260	0.2
92.34301	0.1
93.07043	4.7
94.04179	0.2
94.45339	0.1
95.04969	2.6
95.08005	0.1
95.08604	2.1
97.02869	0.2
97.06528	0.6
97.09553	0.1
97.10170	2.5
101.06050	0.1
103.05469	0.3
105.04506	0.2
105.07032	4.9
107.04959	2.5
107.08591	2.5
108.05737	0.4
109.06530	0.8
109.10144	0.8
111.08026	0.3
115.05459	0.3
116.06236	0.4
117.07021	2.0
119.04938	1.1
119.08582	3.9
120.05713	0.3
120.09350	0.1
121.06516	1.4
121.10139	1.1
123.08064	1.0
123.11678	0.2
125.09624	1.2
128.06215	0.4
129.07011	1.2
130.07791	0.6
131.08566	2.4
133.06496	2.8
133.10126	1.2
134.07277	0.9
135.08051	0.8
135.11699	0.4
137.09610	0.3
140.55571	0.1
141.06976	0.1
142.07767	0.2
143.08553	1.2
144.09348	0.1
145.06502	0.3
145.10120	2.0
147.08044	3.1
147.11697	0.4
148.08789	0.2
149.09628	1.0
149.13232	0.2
151.07568	0.2
153.09117	0.2
155.08488	0.2
156.09282	0.1
157.10118	0.8
159.08023	0.1
159.11714	0.5
161.09622	1.0
162.10365	1.2
163.11180	0.8
165.09122	0.5
171.11688	0.3
173.09662	0.2
173.13261	0.1
175.11182	0.7
177.12683	0.1
185.13237	0.1
187.10994	0.1
189.11284	0.3
189.12807	0.2
199.11201	0.2
223.13286	1.0
227.17982	0.1
231.17461	0.2
235.16966	0.1
245.19150	0.1
249.14861	1.9
255.17325	0.2
261.14969	0.4
262.15616	0.2
263.16336	0.3
273.18484	2.8
291.19534	100.0
292.19849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	2.8
55.01886	4.2
55.05267	1.5
55.05514	18.6
57.03430	3.5
57.07071	2.3
59.05008	1.6
59.59502	0.9
60.98978	0.8
62.08186	0.8
65.03944	1.3
67.05508	19.5
69.03429	2.3
69.07072	14.6
70.23182	3.3
71.04992	8.8
71.08642	0.9
75.10714	0.8
78.14745	0.9
79.05496	23.7
81.03435	4.4
81.07060	29.4
83.04990	4.1
83.08617	10.8
85.02920	1.5
85.06552	2.1
88.31670	0.9
91.05486	20.5
93.07047	31.9
95.04967	8.7
95.08615	22.7
97.06544	2.8
97.10178	3.7
98.20793	0.9
99.04456	7.5
103.05460	1.1
105.07030	15.4
107.04956	9.6
107.08601	19.0
109.02914	1.2
109.06527	13.1
109.10164	7.7
111.04449	1.7
111.08100	10.4
111.11719	1.2
115.05521	1.0
117.07001	5.4
119.04964	1.6
119.08596	14.0
121.06563	4.7
121.10156	16.3
123.08066	12.2
123.11705	2.7
125.09662	1.8
129.06985	4.1
131.08562	9.6
133.06557	4.4
133.10126	10.5
135.08058	10.3
135.11697	13.6
137.09633	4.5
140.84435	1.0
141.07019	1.0
142.07782	1.1
143.08583	3.2
145.10118	8.0
147.08067	5.5
147.10699	1.0
147.11714	6.3
149.09605	9.4
149.13268	6.4
151.07545	5.3
151.11169	1.1
153.09154	1.9
157.10124	3.5
159.08047	1.3
159.11731	3.8
161.09622	4.9
161.13260	2.5
163.11224	4.3
163.14821	3.1
165.09113	3.8
165.12733	1.1
171.11691	4.5
173.09639	2.6
173.13246	2.0
175.11172	3.6
175.14854	2.9
177.09065	1.3
177.12730	1.5
181.12233	2.0
185.13245	1.6
187.11133	1.1
189.12764	3.9
191.10675	5.9
191.14374	1.8
193.15941	2.7
197.11664	1.0
197.13383	1.3
199.14937	1.4
207.13806	2.6
211.02719	1.5
217.15849	2.3
217.19566	2.5
221.15262	1.2
227.17911	1.0
227.43942	1.0
241.19427	2.6
245.18994	2.2
249.14882	1.1
249.18375	1.5
255.17480	2.4
257.18942	1.0
259.20575	4.0
263.19806	0.9
273.18530	17.6
291.19562	100.0
291.23126	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	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.02381	0.8
53.03944	2.4
55.01875	19.4
55.05515	11.6
57.01509	0.9
57.03440	17.5
65.03942	2.0
67.05509	17.5
67.99016	0.7
68.91779	0.7
69.03436	4.0
69.07069	6.3
70.81335	2.0
71.04983	1.6
76.26078	0.7
79.05499	37.5
81.03419	2.1
81.07065	18.9
83.04990	3.1
83.08624	4.2
85.06553	3.9
91.05489	30.3
93.07052	21.5
95.04984	5.6
95.08612	10.5
97.06529	2.4
97.10191	1.4
103.05438	0.9
105.07034	18.2
106.04138	0.8
107.04964	21.6
107.08604	25.5
109.06525	70.2
109.10143	3.5
111.08112	1.4
113.05994	1.2
115.05465	2.4
116.06274	2.3
117.07023	13.3
119.04933	1.4
119.06100	1.3
119.08604	8.1
121.06511	5.7
121.10153	5.8
122.47059	0.7
123.08086	3.8
125.09645	0.7
128.06245	2.1
129.07019	8.3
130.07797	0.8
131.08585	16.4
133.06534	2.6
133.10133	7.2
135.08063	100.0
135.11674	4.8
137.09633	2.0
141.06995	1.1
143.08575	7.1
145.09035	1.2
145.10129	10.5
147.08070	4.5
147.11722	1.4
149.09633	12.1
149.13271	1.8
151.11195	0.9
155.08577	1.1
157.10107	5.4
159.08055	2.5
159.11661	5.5
161.09631	8.3
161.13313	1.4
163.11212	2.7
169.10164	1.3
171.11661	4.7
173.13278	2.3
175.11232	1.9
177.12735	2.0
180.09561	0.8
183.11691	2.2
185.13309	1.9
187.11172	0.7
189.12794	1.5
191.14240	0.9
195.11813	1.2
195.13846	2.0
199.11281	1.0
199.14825	5.3
201.12749	2.2
208.12492	0.9
213.12756	0.8
217.15894	22.3
219.13866	1.4
227.17908	1.7
237.16339	1.9
245.19000	2.4
249.14935	1.1
255.17464	4.0
273.18497	27.8
291.19562	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	3.3
55.01872	13.9
55.05275	3.4
55.05514	47.6
57.03432	3.4
65.03925	2.5
67.05180	2.6
67.05510	33.8
69.03416	9.8
69.07053	8.9
69.96631	3.4
69.97023	5.8
71.04977	3.8
79.05496	44.4
81.03415	3.9
81.06593	3.2
81.07057	53.7
83.04976	13.0
83.08617	16.7
85.06532	3.2
91.05481	62.8
93.07050	27.1
95.04974	12.9
95.08609	11.7
97.06510	2.8
97.10158	24.6
105.07029	25.6
107.04962	23.4
107.08598	27.0
109.06510	6.5
109.10133	11.5
111.08070	3.7
115.05476	4.1
117.07027	34.9
119.04978	2.8
119.07717	3.1
119.08583	65.9
121.06504	12.0
121.10146	10.3
123.08087	4.5
125.09619	18.1
128.06218	3.0
129.07002	10.7
130.07849	2.5
131.08575	31.9
132.05731	3.1
133.06485	3.8
133.10133	8.8
135.08058	28.0
135.11676	4.0
137.09593	2.1
142.07770	3.2
143.08574	15.6
145.10129	30.7
147.08051	49.1
147.11632	4.1
149.09657	11.0
151.07527	8.1
153.09114	4.4
157.10074	9.4
159.08041	4.3
159.11708	7.6
161.09610	8.6
163.11140	3.9
169.10042	4.2
171.10257	4.7
171.11711	7.6
173.09642	2.6
173.13258	2.9
175.11166	4.8
185.09627	3.4
185.13284	3.8
189.11218	13.4
189.12740	4.5
195.11617	2.2
197.11775	3.4
205.12238	2.8
207.13898	5.1
213.12828	2.3
213.72060	2.2
217.15849	2.9
223.13225	5.3
227.17952	4.7
237.16290	2.9
245.19017	5.7
249.14911	7.1
255.17543	13.9
257.46631	2.2
273.18497	100.0
273.58258	2.1
291.19550	94.3
291.22867	5.2
314.20468	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03943	1.8
55.01871	1.6
55.05517	7.7
57.07066	2.2
58.47799	1.0
59.04992	3.1
67.05516	5.8
69.03440	2.5
69.07063	2.4
70.41969	2.7
70.42309	1.0
71.04990	3.6
76.16669	0.9
79.05495	11.0
81.03390	1.2
81.07053	7.9
83.04974	3.3
83.08620	8.8
85.02901	1.0
85.06542	1.8
91.05477	6.1
93.07052	10.5
95.04992	6.1
95.08611	17.5
97.06548	5.8
105.07036	8.4
107.04302	1.3
107.04967	14.4
107.08617	9.7
108.05762	1.0
109.06507	8.8
109.10153	3.2
111.08092	43.0
112.58427	0.8
113.09639	2.7
117.07067	1.4
119.08600	10.0
121.06501	2.7
121.10148	7.8
123.07207	2.0
123.08072	32.4
123.11718	0.9
125.09638	3.8
129.07005	1.0
130.05557	0.8
131.08553	6.0
133.06496	3.2
133.10146	9.1
135.08072	6.0
135.11703	2.2
137.09604	3.2
141.05370	0.9
141.81844	0.9
143.08539	1.1
145.10121	5.2
147.08052	2.5
147.11714	6.2
149.09605	5.5
151.07553	100.0
155.10698	2.5
156.09355	1.5
157.10170	6.1
159.08014	2.2
159.11687	1.5
161.09630	4.5
161.13281	1.9
163.11153	1.9
165.09018	1.3
166.10622	0.9
169.12245	1.3
171.11676	4.2
173.09570	1.2
173.13283	6.1
174.10457	1.2
175.11182	7.3
177.09102	2.2
179.10675	5.8
181.12228	1.9
186.84703	1.1
189.12769	26.1
191.14320	17.1
192.11446	3.8
197.11717	16.0
197.13290	1.5
203.14296	1.0
207.13823	69.3
211.13210	2.0
212.99379	1.0
213.16377	1.8
215.14407	4.3
217.12263	2.8
222.29738	1.0
224.05612	0.9
231.17451	2.7
233.15370	51.1
235.13243	2.0
249.18550	1.9
255.17410	2.6
273.18552	7.9
291.19559	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01868	1.3
55.05518	4.3
57.07063	3.0
59.04987	1.7
60.09946	0.8
67.05500	5.0
69.03407	2.9
69.07054	2.3
69.80151	4.1
71.04976	3.1
79.05495	6.6
81.07060	6.7
83.04971	2.2
83.08629	4.1
85.06530	3.7
91.05473	5.6
93.07042	10.9
95.04970	4.4
95.08607	16.1
97.06512	3.2
105.07035	10.7
107.04959	6.5
107.08601	6.6
108.05740	0.9
109.06517	6.4
109.10158	3.8
111.04455	0.9
111.08084	29.2
113.09601	1.3
116.29004	0.8
117.06994	2.3
119.08584	10.2
119.58247	0.8
121.06510	2.7
121.10148	5.5
122.07317	2.1
123.08072	31.8
123.11694	1.0
125.09671	1.2
129.06984	1.8
130.07777	0.9
131.08580	5.8
133.06506	3.7
133.10132	7.6
135.08069	6.4
135.11713	4.0
137.09584	4.6
141.05376	1.0
143.08563	3.1
144.09377	1.7
145.10117	15.7
147.08037	3.5
147.11688	7.0
149.09613	5.8
151.07550	100.0
153.09036	1.0
155.10654	3.3
156.09349	2.3
157.10126	5.9
157.58742	0.9
159.08099	1.8
159.11711	5.6
161.09601	4.7
161.13252	1.9
163.11145	4.6
169.12221	1.0
171.11644	4.5
173.09654	1.5
173.13254	6.1
173.90028	0.9
174.10431	2.3
175.11192	6.3
177.09111	1.8
177.12778	2.0
179.10660	4.8
181.12183	1.1
182.10950	1.0
187.11180	4.7
187.14719	1.3
189.12753	32.5
191.10623	1.5
191.14311	7.5
192.11475	4.1
197.11731	15.9
197.13312	2.7
199.11118	1.0
203.14351	3.4
207.13815	69.2
213.16383	2.5
214.31088	0.8
215.14302	5.7
217.12254	2.9
229.15933	1.4
231.17503	3.1
233.15390	22.4
235.13309	2.1
236.69873	1.0
255.17424	3.2
273.18506	8.8
273.54395	1.1
291.19553	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.6
56.05037	0.3
56.96576	0.6
59.05019	0.3
61.01151	15.2
67.05502	0.6
69.03433	0.6
69.07066	0.8
70.06596	0.6
70.81120	0.6
71.04997	0.3
74.06123	0.3
79.05486	0.9
80.88823	0.2
81.07072	0.6
83.04990	0.6
83.08611	0.3
83.46754	0.2
84.04502	1.0
84.08146	85.1
85.02916	0.5
85.06583	0.3
86.09718	1.3
91.05473	0.4
91.84738	0.2
93.07045	0.9
95.08601	0.7
97.06554	0.4
98.97588	1.5
105.07064	0.4
107.08607	0.7
109.10166	0.4
110.97554	0.4
111.08083	0.5
116.98656	0.3
119.08595	0.4
121.10184	0.5
125.09613	0.7
128.98631	0.5
131.08591	0.3
132.08430	100.0
135.11676	0.4
136.07622	0.3
148.71349	0.3
157.07590	0.3
158.99586	0.3
173.13232	0.3
181.55458	0.3
198.11282	0.7
199.12312	0.5
203.08223	0.3
207.13744	0.3
215.13921	1.4
218.63237	0.2
229.16356	0.3
231.01714	0.3
243.17108	0.5
245.12889	0.5
246.11549	1.1
247.17468	0.8
249.02817	0.5
273.12375	2.6
291.10294	0.5
291.13553	2.7
291.17313	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09610	0.7
53.03936	3.2
55.01865	1.3
55.05507	4.7
57.03435	2.0
57.07075	1.2
65.03931	3.4
66.97160	0.7
67.05508	6.1
68.04984	0.7
69.03442	3.9
69.07062	3.0
69.42457	4.0
70.06586	1.8
71.04977	2.3
72.08155	1.8
73.02910	1.0
79.05505	5.0
80.05017	1.8
81.03402	1.8
81.05759	0.9
81.07064	5.3
83.04982	4.5
83.08617	1.4
84.08141	1.3
85.02891	1.1
85.06540	3.1
86.09701	1.2
91.05480	4.6
93.03410	2.2
93.07043	7.1
94.06567	1.9
95.04973	4.2
95.08607	3.3
96.04483	1.5
96.08125	1.5
97.06528	1.2
98.21549	1.5
98.97584	2.4
98.98489	0.8
105.07040	3.7
107.04943	1.4
107.08607	5.6
108.04451	2.1
108.08173	0.9
109.02868	1.7
109.06511	2.6
109.10190	1.9
110.06051	1.1
111.04426	2.1
111.08067	1.9
113.09636	1.7
117.07021	1.7
119.04929	0.7
119.08561	6.8
120.08077	1.5
121.02919	1.0
121.06537	2.0
121.10155	5.6
122.06042	3.0
123.04443	2.2
123.06828	1.2
123.08041	1.1
123.11670	1.1
124.07600	6.9
125.09623	2.8
126.09148	0.8
127.07542	1.6
129.05508	1.0
129.07018	1.5
130.06467	0.8
131.08586	2.1
133.06541	1.0
133.10126	2.3
134.05966	1.0
135.08022	2.3
135.11697	2.8
136.03934	4.5
136.07539	1.2
137.02310	5.0
137.06033	0.9
137.09607	1.7
138.09148	12.2
140.07069	2.4
143.07294	0.8
143.08528	1.2
144.08124	0.8
145.10115	3.1
147.08040	2.9
147.11696	4.3
149.09636	1.3
151.07536	1.9
151.11212	1.6
154.04990	14.2
157.08971	1.8
157.10129	2.0
159.08086	1.1
159.11714	2.2
160.07538	0.9
161.09602	1.3
161.13348	1.0
164.07074	1.1
165.05574	0.8
165.12746	0.9
168.06535	1.1
171.11784	1.4
172.07558	1.7
172.11217	2.0
173.13397	1.0
174.09106	1.4
175.12321	3.3
175.14828	1.2
178.04924	1.2
179.10678	3.2
184.09985	1.3
185.08347	2.5
186.09207	2.0
187.08647	1.3
188.07175	0.9
188.10751	2.5
189.10202	1.6
189.12788	2.4
190.07339	1.0
190.12292	1.5
191.14297	1.9
199.08632	1.6
199.12375	1.5
200.07088	1.0
200.10817	5.4
201.10254	1.6
202.10902	1.6
203.08200	2.4
203.11775	3.3
203.14420	0.8
207.13815	1.3
211.08733	1.9
212.09360	3.8
213.08163	1.1
213.10199	4.4
214.08656	1.2
214.24907	0.8
215.08293	1.8
215.11784	2.7
215.14171	1.3
216.10205	2.5
216.12396	1.4
217.09691	1.3
217.13513	4.2
217.15404	0.8
218.11723	2.1
221.01744	0.8
226.07390	1.0
227.08176	6.8
227.11812	5.4
228.10228	24.2
229.10965	2.5
230.10480	1.5
231.11461	3.8
231.13580	1.4
232.12059	2.7
233.12994	0.8
233.15353	2.1
239.65575	0.8
240.08946	1.7
241.09746	8.5
242.10469	12.0
243.11337	8.9
244.12115	5.4
245.09212	1.2
245.12860	15.6
246.11243	9.0
255.11328	6.1
256.09674	3.0
259.10831	1.5
260.11551	3.2
261.12387	1.3
263.13882	2.1
273.12360	23.6
273.15036	0.8
273.18555	3.4
274.10754	6.3
291.13406	100.0
291.19516	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	291.134
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
53.03937	1.7
55.05504	2.2
57.03433	1.2
57.07074	0.6
61.01152	0.5
61.02920	0.6
65.03962	3.6
66.03473	0.6
67.01852	0.7
67.05505	4.1
69.03436	2.6
69.07077	2.5
69.90230	0.6
70.06577	1.9
71.05003	1.0
71.08610	1.0
71.52726	0.6
72.08146	1.2
79.05499	3.2
80.05020	1.7
81.03408	1.8
81.07050	3.3
83.05000	3.7
83.08626	0.6
84.04507	1.9
84.08140	1.1
85.02917	1.0
85.04873	1.2
85.06539	1.5
86.09707	0.7
91.05482	2.7
93.03416	3.2
93.05801	0.9
93.07048	5.0
94.06553	2.0
95.04962	3.0
95.08594	2.1
96.04488	1.3
96.08114	1.5
98.06027	0.5
98.97578	1.6
99.08095	0.6
105.07047	3.3
106.06606	0.7
107.04953	1.0
107.08601	3.6
108.04481	2.1
109.02868	1.8
109.06533	1.3
109.10146	1.6
111.04427	1.3
111.08072	1.2
112.03959	0.8
117.05519	0.7
117.07024	0.8
119.04995	0.6
119.08576	3.9
120.08095	0.9
121.06480	1.7
121.10159	2.5
122.06045	3.4
123.04435	2.4
123.06805	1.0
123.08067	1.1
124.03932	0.6
124.07589	5.9
125.09585	1.8
126.05510	1.2
127.03920	0.7
129.06979	0.8
131.08580	1.7
133.06490	0.9
133.10133	2.3
134.06026	0.5
135.07986	0.8
135.11697	1.6
136.03961	6.2
137.02335	5.0
137.09627	1.2
138.05476	0.6
138.09155	13.0
138.10226	0.8
140.07091	3.5
142.07748	0.5
143.08539	1.1
145.10147	2.2
147.03207	0.6
147.08046	1.3
147.11678	2.4
148.07545	0.6
149.09584	1.3
149.13255	0.6
150.05440	1.0
151.07524	0.7
152.07043	1.3
153.09123	1.2
154.03755	0.7
154.04997	14.3
157.08885	0.8
157.10115	1.0
158.09674	1.0
158.10934	0.8
159.07993	0.8
159.10362	1.1
159.11623	1.2
160.07594	1.2
160.09914	1.3
160.11215	1.2
161.07088	0.7
161.09625	1.3
161.13255	1.2
162.09100	0.8
163.11105	0.9
164.07079	1.1
167.08636	0.6
168.06569	1.5
171.11665	1.0
172.07556	1.6
172.11253	2.0
173.08327	0.8
173.09622	0.9
173.13266	1.4
174.09145	2.1
174.11557	1.0
175.08757	1.4
175.12372	2.5
178.05093	0.7
179.10663	1.6
182.09743	0.8
184.07547	0.8
184.09955	1.9
185.08345	3.2
186.09146	1.8
187.08644	1.3
188.09305	0.8
188.10718	2.9
189.10182	1.8
189.12746	2.1
190.08615	1.3
190.12260	1.4
191.14290	0.7
196.05992	1.2
198.07797	0.9
199.08641	2.5
199.12291	1.4
200.07106	1.2
200.10809	6.5
201.10233	1.5
202.08859	0.6
202.10910	1.3
203.08119	1.6
203.11836	4.4
204.06534	0.6
207.13863	0.5
210.09137	1.0
211.08672	1.7
212.09341	3.7
213.07933	1.7
213.10222	5.1
214.08887	0.7
214.10995	0.7
215.08160	2.3
215.11818	3.6
215.14265	1.4
216.10223	2.8
216.12569	1.9
217.09753	1.6
217.13451	5.2
218.11827	1.8
226.07343	1.7
227.08214	6.7
227.11755	5.0
228.10234	22.1
229.11281	3.1
230.10193	0.9
231.11392	5.8
231.13683	1.1
232.12109	2.3
233.13106	1.0
233.15366	1.4
239.08223	0.6
240.08916	2.0
241.09732	9.3
242.10483	12.4
243.11317	12.3
244.12073	6.9
245.09195	0.9
245.09961	0.7
245.12854	16.3
246.11292	8.3
255.11307	6.3
256.09723	2.3
259.10748	1.7
260.11676	2.7
261.12411	1.5
263.13882	1.5
273.12372	21.7
273.18512	2.8
274.10724	7.0
291.13397	100.0
291.19611	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	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	0.9
69.88347	1.6
74.81792	0.4
78.04736	0.6
79.05477	1.1
91.05477	0.9
95.04983	0.5
98.20908	0.6
105.03397	0.5
106.04135	0.7
107.04308	0.8
107.04967	8.7
134.03690	1.9
134.59328	0.4
135.04413	3.1
145.03952	0.8
162.03130	11.9
163.03915	5.9
167.07072	0.5
178.02621	0.5
179.03380	2.4
179.07054	0.5
180.04135	0.5
190.02632	13.9
191.03329	0.5
193.01305	0.9
194.02110	0.7
195.06496	1.1
207.02881	5.5
208.03679	10.6
223.06017	100.0
291.19623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28274	5.6
55.05511	6.9
56.56018	5.4
56.96562	27.8
67.05505	8.8
67.37963	6.6
69.03431	8.1
70.06580	8.5
70.43395	7.3
70.43722	14.6
71.27496	6.5
79.05499	9.1
83.04977	6.1
85.02919	20.0
86.09711	10.2
93.07050	7.9
97.02910	8.3
98.20802	6.2
98.97586	52.5
101.00896	10.7
110.97560	11.6
112.99124	10.1
116.98613	17.1
119.01926	7.2
120.20480	5.6
121.10085	6.9
124.99117	16.0
126.97138	7.3
128.98688	9.3
131.00188	10.1
135.11697	6.1
143.00198	9.4
158.13684	6.6
158.99707	15.2
161.02914	7.3
177.00771	12.4
180.60861	6.9
228.94951	6.7
237.03157	6.0
248.99353	6.0
291.04984	9.3
291.08337	100.0
309.08514	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	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48591	3.9
51.94970	4.9
55.05510	8.5
56.05035	8.6
56.96572	78.2
57.03437	11.7
59.54623	4.4
61.02900	6.5
67.05518	5.8
69.03436	25.6
69.88123	10.0
69.88554	16.5
70.06593	12.5
71.04960	5.3
72.08138	7.4
73.02901	11.9
74.97594	5.7
79.05493	9.4
81.03428	7.2
81.07065	11.3
84.04494	14.4
84.08142	25.4
84.96019	22.5
85.02909	44.1
86.09713	17.4
87.04436	5.4
87.10046	10.8
93.07047	13.3
95.08566	5.9
97.02904	34.1
98.97589	66.0
101.00885	27.9
103.00623	9.4
103.02442	7.7
107.08572	5.9
109.02905	4.9
110.97579	15.7
111.04433	6.1
112.99145	31.0
113.00866	7.6
115.00632	5.3
115.02433	6.3
116.98627	19.8
117.02182	6.6
119.01915	26.7
120.08141	5.9
121.01672	19.7
124.99136	27.4
127.03950	10.3
128.98624	16.3
129.05495	42.7
129.10226	9.0
130.08682	7.1
131.00172	24.3
131.01918	15.2
133.01671	6.3
133.03471	30.8
134.99615	5.8
135.03178	9.8
135.11713	6.3
136.93121	4.8
137.02937	5.5
141.24763	4.7
142.99188	7.2
143.00200	50.6
143.01927	17.7
144.06665	4.7
144.13895	12.3
144.98088	6.6
145.01695	11.3
145.03479	12.0
147.05055	5.3
149.01201	12.9
151.04654	4.4
154.94142	6.6
155.01927	5.2
156.98106	9.8
157.03445	7.4
157.13394	8.6
158.13756	8.5
158.99652	19.1
159.05008	6.9
161.01221	24.1
161.03009	15.0
162.99136	5.3
163.02722	11.5
170.99693	12.8
171.01349	5.6
173.01299	10.8
173.02946	16.2
174.11287	6.4
174.99203	35.5
177.00729	10.2
179.02185	8.5
185.01276	9.8
185.02914	7.6
186.99179	7.6
187.00856	5.4
187.04530	5.4
189.00697	16.3
189.02504	16.4
189.06010	10.2
191.02272	11.6
191.03990	9.9
193.00237	31.5
193.03801	8.4
201.02589	9.4
201.06635	9.5
203.02275	7.2
203.04018	13.7
205.00221	17.0
207.01740	6.4
213.00636	5.8
215.04027	9.8
219.01801	12.6
219.03581	9.4
221.03311	7.7
223.01234	13.4
230.98259	8.5
231.01631	9.4
231.03563	12.6
231.07117	6.6
237.02686	6.8
247.01158	11.3
248.99211	16.4
249.02492	8.5
255.13367	5.1
267.00235	9.9
273.00348	14.0
273.15250	9.3
286.70322	4.8
291.00983	11.0
291.04071	18.5
291.08539	100.0
291.16165	8.9
291.19373	7.5
291.23407	8.3
299.09863	15.3
309.04968	17.6
309.08374	8.1
311.09821	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45395	0.8
53.03943	1.8
55.01855	2.7
55.05263	1.0
55.05511	10.0
56.96307	1.6
56.96568	23.0
57.03442	4.2
57.07066	2.4
59.05001	1.8
61.02927	1.3
65.03928	1.5
67.05507	10.8
68.99828	1.2
69.03432	18.2
69.07068	13.2
69.85991	1.5
69.86404	2.6
70.06566	1.1
71.05010	4.0
71.95263	1.9
79.05497	14.5
81.03408	2.6
81.06604	1.0
81.07063	16.9
83.04972	8.1
83.08601	3.5
84.04517	1.9
84.08135	0.7
84.96025	5.2
85.02892	3.2
85.04832	1.3
85.06550	4.0
86.09701	1.1
89.37594	0.8
91.05492	11.3
93.03386	0.8
93.06490	1.0
93.07050	15.9
95.04969	5.1
95.08612	14.1
97.02882	1.6
97.06534	17.1
97.10178	1.5
98.97591	100.0
99.04443	1.7
99.08041	1.6
100.11261	1.6
101.06002	1.8
103.05478	1.5
105.03386	1.3
105.07037	13.4
107.04940	4.4
107.08599	14.2
109.02889	1.4
109.06535	5.4
109.10161	8.0
110.97572	60.5
111.04436	1.1
111.08072	5.2
111.11691	0.8
112.99104	4.1
113.05993	1.6
113.09645	1.2
115.05503	0.8
116.98629	38.0
117.03322	1.3
117.07028	4.6
119.08595	11.5
121.06520	4.2
121.10152	11.3
123.04445	1.2
123.08076	7.0
123.11710	2.8
124.99109	3.2
125.09580	2.4
127.03910	1.6
127.07523	1.9
128.06204	0.9
128.98616	56.4
129.06992	3.8
131.00159	3.5
131.04916	1.6
131.08580	6.6
133.02856	2.6
133.06516	1.7
133.10114	5.9
134.99652	9.4
135.04393	2.4
135.08035	4.8
135.11681	5.2
137.05971	1.7
137.09584	3.3
137.13257	1.9
139.07602	1.6
139.11200	1.2
140.00189	4.5
140.98573	1.5
141.06938	2.0
143.00180	10.2
143.08562	3.0
144.98117	2.0
145.02823	1.6
145.06416	1.1
145.10146	8.1
146.07140	0.9
146.98508	1.4
146.99649	22.2
147.04395	0.9
147.08034	3.7
147.11679	6.6
149.01250	0.9
149.05956	1.1
149.09616	5.3
149.13264	2.8
151.07558	6.8
151.11157	0.9
152.00191	4.3
152.98657	1.1
153.05353	1.1
153.09097	6.0
155.00157	6.0
155.08531	2.0
157.06464	4.0
157.10146	3.9
158.01245	1.4
158.10855	1.0
158.99654	8.2
159.04480	1.4
159.08044	1.3
159.11676	3.8
161.01228	10.9
161.02359	1.4
161.09593	2.4
161.13251	3.1
162.99196	1.0
163.03894	8.6
163.11182	1.8
163.14777	2.2
165.00769	1.3
165.09023	0.9
165.12709	1.3
166.01862	0.9
167.10701	1.1
169.06474	1.2
170.01242	3.2
170.99663	32.9
171.11694	2.7
173.00945	6.6
173.02470	16.6
173.05907	1.0
173.09583	1.1
173.13232	3.7
174.03642	1.0
175.03973	1.6
175.07542	1.2
175.11160	1.2
175.14787	1.5
177.00708	4.6
177.05431	2.4
177.16312	1.8
179.02119	1.1
179.10661	2.3
182.99644	5.9
183.11740	1.2
184.02757	1.2
185.06015	1.7
185.09642	0.9
185.13235	1.9
187.03775	1.4
187.14873	2.2
189.00713	27.6
189.09117	2.2
189.12675	6.2
189.16302	1.0
191.01845	1.0
191.03516	10.8
191.14310	2.0
193.04897	1.5
195.08073	1.1
195.11777	1.3
197.06073	1.0
197.11717	1.1
199.07532	2.2
199.11166	1.1
201.00716	9.6
201.12730	1.6
203.14369	1.1
205.04904	1.0
207.01709	2.1
207.13817	5.3
212.02277	3.4
213.00783	1.4
213.09198	1.0
213.16374	1.8
215.07030	18.8
215.14252	1.1
217.05042	1.9
217.08546	2.3
217.12305	1.9
217.15988	1.2
219.01782	4.4
219.13911	2.0
224.02222	1.6
224.26575	1.0
227.17853	1.2
231.01761	29.6
231.13728	1.3
231.17328	1.6
233.08092	8.6
233.15364	3.0
237.16396	1.3
241.08714	7.0
245.08147	4.0
249.02840	88.2
255.17451	3.2
259.09656	12.1
267.03903	10.9
272.04453	11.3
273.11185	5.5
273.18512	13.3
291.03830	1.8
291.08548	4.9
291.13086	7.8
291.16071	1.6
291.19531	30.3
291.22952	1.7
291.26801	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	290.2114
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.03954	0.4
55.01862	1.0
55.05503	1.5
56.96561	3.6
57.03437	0.7
57.07082	2.3
59.05010	0.6
61.02902	0.5
64.71672	0.4
67.05508	2.1
68.99785	0.7
69.03442	1.8
69.07076	3.3
70.06592	1.8
71.04985	0.6
71.08607	1.0
71.53864	0.6
73.02920	3.3
73.06541	1.5
79.05505	2.1
81.03406	1.4
81.07046	2.5
83.04971	0.8
83.08617	0.7
84.04510	9.7
84.08140	0.4
84.96037	0.8
85.02907	2.3
85.06535	0.8
88.07633	1.7
91.05468	1.7
93.07040	3.0
95.04948	0.8
95.08625	2.8
97.02885	0.9
97.06514	0.8
98.96941	0.6
98.97587	10.5
103.03926	1.3
105.07022	2.6
107.04961	0.6
107.08595	3.2
109.06518	0.7
109.10162	1.4
110.97572	0.5
111.08072	0.4
112.99133	2.4
114.09174	0.7
116.98637	3.8
118.06549	8.4
119.01794	0.5
119.08591	2.5
121.06506	0.7
121.10143	1.6
123.08055	0.6
123.11704	0.7
125.09544	0.5
126.05527	2.3
127.03915	0.5
128.98604	0.4
129.01830	0.9
129.06978	0.7
131.00165	2.2
131.08559	1.2
132.08107	2.8
132.10190	2.0
133.08849	1.3
133.10146	1.5
134.09660	1.3
134.99655	0.6
135.08025	0.8
140.00224	0.4
145.10120	1.8
146.09586	2.7
147.08057	0.5
147.11682	0.7
149.01212	0.9
149.09595	0.7
150.11253	1.4
151.11177	0.8
154.01761	0.4
158.10916	0.5
158.99649	3.9
159.11707	1.1
161.09683	0.4
161.13275	0.5
168.06577	0.9
172.95360	0.5
173.01227	3.6
173.11765	1.1
173.13301	1.1
175.14813	0.5
176.14349	37.7
177.00742	2.8
177.12849	0.4
184.97484	0.4
185.04897	0.5
187.14793	0.9
188.01108	0.4
188.24289	0.4
189.00650	0.5
189.03975	0.7
191.02226	2.6
201.00787	1.3
201.12848	0.4
202.15948	0.6
202.98624	1.3
203.05913	0.5
214.04068	0.4
219.01765	1.5
220.99817	0.4
223.13397	1.0
232.13318	0.8
235.06023	1.2
244.99692	3.3
246.14853	0.9
246.24350	0.7
247.11079	0.6
249.07829	0.8
257.19092	0.6
260.16486	0.6
263.00687	0.7
267.09033	3.0
268.11392	0.5
275.20184	0.7
281.10580	0.4
285.09937	1.8
290.08566	1.4
290.10886	2.7
290.21155	100.0
290.26303	9.6
290.61145	0.8
291.12036	1.0
291.21680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1753
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.03951	0.6
53.38448	0.4
55.05503	2.1
56.05033	3.0
56.96568	5.8
57.07076	2.1
58.06605	1.5
60.04537	0.9
65.03957	0.8
67.05508	9.9
69.07082	4.2
70.06560	0.7
71.08629	1.4
74.06081	2.1
79.05503	2.6
81.07052	2.3
82.06592	4.1
83.04956	0.8
83.08620	0.6
88.07632	10.6
91.05480	1.2
93.03417	2.4
93.07042	4.0
95.04979	0.9
95.08594	2.5
97.06518	1.8
105.07052	1.5
107.08582	2.7
109.10146	0.8
110.06043	33.5
111.04445	8.2
114.99422	0.5
118.08674	1.4
119.08609	0.6
121.06592	0.6
122.08135	1.5
123.04417	0.9
124.66225	0.6
130.07564	0.5
133.10156	1.3
135.11725	4.3
137.05956	3.4
138.05504	100.0
144.11121	0.5
145.06519	0.8
149.09558	0.5
153.12717	0.6
163.07529	1.8
168.13860	0.8
186.13519	0.6
197.12700	0.6
203.05890	0.7
208.10158	0.6
212.15201	0.7
223.05998	0.5
226.11145	18.5
228.23163	0.9
230.16220	1.1
242.24797	12.0
244.12170	8.2
249.08102	0.6
249.12773	0.9
267.09143	4.2
267.13831	2.5
269.61676	0.8
272.25760	0.7
285.10086	2.0
290.17731	6.4
290.21786	0.9
290.26883	35.6
290.29285	1.4
291.19574	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
56.05037	1.5
56.96570	2.0
58.06609	0.8
60.04527	22.3
68.05027	0.6
70.02978	1.2
70.06597	1.9
70.32164	2.0
72.04506	0.9
72.08154	1.4
74.06089	6.6
81.07027	0.7
84.04519	1.5
84.08146	2.3
85.02914	2.5
86.06065	1.2
86.09710	100.0
87.05591	12.4
88.03976	0.8
90.05551	1.2
91.89915	0.6
95.04951	0.7
96.04524	0.9
97.02885	0.7
98.06059	2.4
98.21410	0.7
98.97587	3.7
102.05539	1.9
110.07154	0.6
112.11229	0.7
112.99095	0.7
113.07126	1.4
116.98605	0.9
119.68761	0.5
120.06581	6.2
126.05542	0.7
127.03919	9.0
128.04243	7.8
128.10735	8.7
130.05032	1.0
130.06555	0.6
131.00191	0.8
131.08115	2.7
132.10213	1.8
137.06049	0.7
143.00162	0.7
143.11804	22.8
155.11806	0.7
159.07703	3.1
161.01328	0.8
163.03943	0.9
171.11305	6.0
173.12868	94.2
187.07198	1.3
187.14490	0.9
194.92453	0.7
201.12344	31.9
203.13934	3.6
215.13962	1.3
215.55104	0.6
267.00229	1.4
272.16092	6.2
290.12848	2.0
290.17120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02162	0.9
53.03935	1.4
53.37409	0.9
55.01874	1.9
55.05268	1.6
55.05514	18.2
57.03429	1.3
57.07059	1.0
59.04994	2.7
67.05498	14.9
69.07072	13.6
69.34167	3.1
69.34591	4.6
71.05010	1.0
73.06550	1.8
79.05495	14.5
81.07063	19.0
83.04989	5.1
83.08623	10.0
85.06544	3.6
91.05485	46.4
93.07049	14.8
95.04984	2.7
95.08607	13.9
97.06528	1.8
97.10149	4.5
101.06068	1.1
103.05454	1.6
104.33473	1.2
105.07034	66.4
107.08601	8.8
109.06541	1.7
109.10176	6.4
111.04453	3.0
111.08082	1.3
112.15055	0.9
117.07022	14.8
119.08584	53.1
121.06497	1.5
121.10133	6.0
123.08120	1.1
123.11772	1.0
125.09615	3.3
127.03886	1.8
129.07004	4.3
130.07774	1.3
131.07610	1.3
131.08582	20.7
132.09204	0.9
133.10132	33.4
135.08008	2.1
135.11678	2.8
137.09560	1.0
141.07007	2.1
142.07684	1.0
143.08589	4.2
145.10129	29.9
147.08061	7.6
147.11696	33.8
149.09624	2.9
149.13211	1.0
155.08524	3.0
157.10123	8.0
159.08060	3.7
159.11716	21.3
161.09627	3.4
161.13246	9.3
163.11229	1.0
169.10120	3.7
171.11673	6.2
173.09662	2.1
173.13286	13.3
175.11188	1.9
175.14859	1.3
177.12811	1.0
177.16673	1.1
183.11707	5.2
185.13266	2.1
187.11128	1.1
189.12737	1.8
197.13229	4.3
201.12720	1.5
211.14804	2.3
215.14261	1.0
215.17960	2.6
229.15800	1.6
229.19548	1.5
239.17964	12.2
257.19009	25.3
261.22232	1.2
270.47095	1.2
271.16919	1.7
289.18015	25.0
289.21606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03941	1.9
54.36467	0.7
55.01858	0.7
55.05515	14.4
57.03415	0.9
57.07082	0.8
59.04992	2.1
61.39782	0.7
65.03912	1.0
67.05508	12.6
69.03426	0.8
69.07072	11.6
70.03363	2.9
71.04952	0.7
73.06542	1.1
79.05498	12.3
81.07059	16.8
83.04992	4.8
83.08639	5.1
85.06543	3.1
91.05487	33.5
93.06484	1.0
93.07050	13.1
95.04953	1.5
95.08057	1.2
95.08615	13.4
97.06517	1.5
97.10158	2.2
98.21365	0.9
101.06026	1.3
103.05457	1.6
105.07038	57.7
107.08590	10.2
109.06544	0.8
109.10169	4.9
111.04463	3.5
111.08078	1.3
117.07023	9.5
119.08582	40.5
121.06512	0.9
121.10132	4.7
123.08049	1.0
123.11715	0.9
125.09623	1.1
127.03967	1.1
129.05511	0.8
129.07014	2.6
131.08568	15.5
132.09355	1.4
133.10135	40.9
135.08070	1.1
135.11679	2.3
141.06958	1.2
143.08546	2.6
145.10135	16.0
147.07999	1.4
147.11691	20.8
149.09636	1.8
149.13264	0.8
151.11142	0.7
155.08539	2.5
157.10159	4.9
159.11699	10.4
161.09642	1.0
161.13290	7.8
163.11066	1.0
169.10124	1.9
171.11679	4.3
173.13274	9.5
175.11172	1.3
175.14795	1.7
183.11681	2.6
185.13248	1.7
187.11217	1.5
187.14871	1.0
189.12726	1.1
197.13318	3.1
198.46135	0.8
201.12770	1.4
211.14899	1.0
213.16423	0.9
215.14359	1.7
215.17923	3.2
229.15985	1.1
229.19524	1.2
239.17937	5.8
257.18997	11.2
289.21625	100.0
290.22137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01862	1.7
55.05512	18.9
56.74337	0.6
57.03425	1.8
59.04971	2.4
67.05185	1.2
67.05504	15.2
69.03416	1.0
69.07067	9.0
70.71143	2.0
71.04972	1.1
73.06548	1.7
79.05495	14.8
81.07057	18.0
83.04983	7.0
83.08622	7.3
85.06522	2.9
86.09689	1.2
90.60131	0.8
91.05482	41.3
93.07047	12.4
95.04945	2.0
95.08070	1.0
95.08607	13.1
97.06497	1.6
97.10166	5.7
101.06087	1.1
103.05451	0.8
105.07030	68.0
107.04947	1.2
107.08585	9.0
109.06483	2.0
109.09476	0.8
109.10160	4.2
111.04411	2.2
115.05511	0.8
115.07595	0.8
117.07029	10.7
119.08579	37.9
121.06458	1.0
121.10152	3.5
123.08057	1.0
125.09633	3.3
127.03931	1.4
129.07001	2.3
130.03737	0.6
131.08565	14.8
132.38435	0.6
133.03447	1.3
133.10132	37.2
135.08009	2.4
135.11652	2.4
141.06973	1.8
143.08543	4.3
145.06502	1.0
145.10129	24.4
147.08044	1.1
147.11688	30.7
149.09608	1.4
155.08514	2.0
157.10168	4.5
159.11687	14.0
161.09656	1.6
161.13263	7.3
163.07489	0.7
163.11171	1.3
168.09290	1.1
169.10091	3.5
171.11714	6.1
173.13310	7.9
175.11183	1.1
175.14857	1.4
177.09164	0.7
183.11708	3.7
184.07333	1.1
185.13223	1.4
187.11186	1.1
191.71593	0.8
197.13200	4.7
201.12790	1.4
205.12288	0.8
207.13777	0.9
211.14848	0.8
215.14357	1.3
215.17946	2.2
229.15810	1.4
229.19713	0.9
233.15388	1.0
239.17935	11.3
257.19019	30.2
261.18445	0.9
269.14838	0.9
271.16827	1.1
289.18176	7.4
289.21591	100.0
305.60791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03939	1.3
55.01865	0.9
55.05511	17.2
57.03438	1.0
57.07058	1.0
59.04981	1.3
65.03928	1.2
67.05501	15.6
69.03423	1.0
69.07066	10.4
69.72784	3.9
73.06534	1.6
79.05072	1.2
79.05495	15.6
81.07056	17.8
83.04971	2.4
83.08611	7.8
85.06555	3.6
86.64826	0.8
91.05481	47.5
93.06488	0.8
93.07041	14.3
95.04970	1.3
95.08602	11.4
97.06520	1.8
97.10168	3.9
98.20751	0.7
100.61884	0.7
101.06010	0.9
103.05454	1.9
105.07030	73.8
107.08598	11.2
109.06509	1.6
109.10151	4.2
111.04460	1.3
111.08059	1.1
115.05461	1.2
115.07574	0.9
116.06197	0.6
117.07018	11.3
119.08582	38.0
121.10149	5.0
123.08073	1.5
123.11680	0.9
125.09666	3.3
127.03896	0.7
129.06995	2.4
130.07729	1.0
131.08571	17.1
132.09302	1.0
133.03510	1.3
133.10129	52.2
135.08044	0.9
135.11681	2.7
141.07014	1.0
143.08540	3.1
143.89301	0.7
145.10123	24.4
147.08075	1.1
147.11690	30.4
149.09590	1.8
155.08537	2.4
157.10132	4.5
159.11691	13.3
161.09630	1.0
161.13254	6.9
163.11176	1.6
169.10135	2.1
171.11691	5.4
173.13266	7.4
175.11227	1.3
175.14807	1.2
183.11682	3.6
185.13237	0.8
187.11227	1.1
187.14705	0.9
197.13254	4.4
199.14867	0.8
201.12802	1.1
211.14699	1.8
213.16273	1.1
215.14255	1.2
215.17973	1.6
229.15945	1.2
229.19463	1.0
230.85667	0.6
233.15338	1.1
237.24182	0.6
239.17963	7.8
247.16920	1.3
257.19019	24.7
274.68323	0.7
289.21616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Pipataline
Peak:m/z	Relative Intensity
52.22314	0.6
53.03941	1.1
55.05513	12.5
59.05001	1.1
65.03936	1.0
67.05505	12.9
69.07072	10.4
69.30180	5.3
73.06563	0.9
79.05492	11.6
80.78745	0.6
81.06594	0.9
81.07064	17.7
83.04961	2.0
83.08624	5.8
85.06528	2.6
87.08101	0.7
91.05482	37.2
93.07046	11.9
95.04982	1.0
95.08604	12.0
97.06541	1.5
97.10152	2.2
99.08119	0.8
103.05468	1.8
105.07034	52.2
107.08585	7.8
109.10146	5.1
111.04444	0.9
115.05484	0.8
115.07579	0.8
117.07026	11.2
118.07768	0.6
119.08585	46.4
121.10169	4.5
123.08076	1.2
123.11684	1.1
125.09630	1.3
129.07042	2.9
131.08572	15.2
132.09319	1.3
133.10133	33.8
135.08073	1.3
135.11693	2.1
141.06973	2.2
143.08545	3.3
145.10126	17.2
147.11693	22.3
149.09578	1.3
149.13303	1.2
151.11201	0.8
151.49789	0.8
155.08569	1.4
157.10130	5.3
159.11702	14.1
161.09647	0.9
161.13255	8.7
163.11136	0.8
169.10117	2.4
171.11697	4.3
173.13242	10.1
175.11157	1.8
175.14836	1.6
183.11676	4.9
185.13243	1.5
187.11214	1.4
187.14795	1.0
197.13231	3.1
201.12677	1.5
207.13812	1.3
211.14867	1.5
213.16325	1.3
215.14485	1.0
215.18013	2.7
229.15892	1.6
229.19527	1.7
239.17868	7.2
257.19009	13.1
289.21625	100.0
290.21991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03933	2.1
55.01862	1.7
55.05517	18.8
56.96550	1.3
57.03428	2.5
57.07067	1.1
59.04995	2.5
65.03928	1.2
67.05511	18.2
69.03427	1.5
69.06732	0.8
69.07069	11.0
69.85798	3.3
71.04982	1.4
73.06545	1.8
79.05499	17.2
81.03379	0.6
81.06612	1.2
81.07063	20.8
83.04987	5.6
83.08619	7.5
85.06544	3.2
91.05486	49.0
93.06493	1.1
93.07047	16.8
95.04986	3.0
95.08611	13.2
97.06510	2.2
97.10174	4.8
98.97540	0.7
99.08096	1.0
103.05455	1.7
103.88416	0.6
104.06258	0.8
105.07038	74.6
107.04958	3.1
107.08604	9.8
109.06515	2.5
109.10141	5.9
111.04444	3.1
111.08065	1.5
115.05453	1.1
117.07030	12.2
118.07802	0.9
119.08589	38.6
120.62353	0.8
121.06486	1.6
121.10155	5.7
123.04379	0.8
123.08070	1.9
123.11711	0.7
125.06010	0.9
125.09623	3.5
127.03941	1.4
128.06190	1.3
129.06996	2.3
130.07814	0.7
131.04915	0.7
131.07602	1.2
131.08577	19.5
133.06505	1.5
133.10139	43.3
135.08057	3.0
135.11671	3.0
136.93153	0.9
137.05937	0.7
137.09636	1.1
139.11153	0.6
141.06970	1.8
143.08580	4.5
145.06477	1.6
145.08952	0.6
145.10132	27.7
147.08026	2.5
147.11694	31.2
149.05974	0.9
149.09619	2.1
149.13287	1.1
151.11182	0.7
152.52499	0.7
155.08580	2.5
157.10144	4.7
159.08025	3.2
159.10468	1.0
159.11705	13.8
161.09654	3.1
161.13257	8.4
163.11166	1.3
169.10182	3.5
171.11696	6.1
173.09598	1.8
173.13268	8.8
175.11185	1.8
175.14803	1.6
177.09108	0.8
177.12750	1.5
183.11676	5.0
185.13229	1.4
187.11183	2.1
187.14880	1.3
189.12720	1.7
191.14345	1.2
197.13237	4.2
201.12697	1.8
211.14822	1.5
213.16373	1.9
215.14351	1.4
215.18053	3.0
225.16263	0.8
229.15834	2.2
229.19444	1.1
233.15289	1.7
235.67711	0.6
239.17928	7.0
243.17378	1.7
247.16922	0.8
253.15862	1.2
257.19022	23.9
261.18491	2.1
271.16904	2.8
274.56641	0.7
289.18024	17.3
289.21582	100.0
289.29034	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	289.1799
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03947	0.7
54.49310	0.3
55.01875	3.0
55.05516	11.2
56.05032	0.9
56.96572	0.4
57.03440	15.4
57.07077	2.6
58.07405	0.6
59.04994	0.7
60.68037	0.4
65.03931	0.4
65.72744	0.3
67.05506	9.4
69.03419	1.3
69.07068	2.8
69.25139	1.4
69.25561	1.6
70.06592	0.9
71.04951	0.4
71.06931	0.4
71.08621	1.2
72.08962	0.4
74.06079	2.0
76.66901	0.3
79.05493	12.3
80.47852	0.3
81.03421	3.6
81.07064	6.5
83.04993	1.7
83.08631	3.6
85.06537	1.0
85.10145	0.4
88.07640	6.9
89.07954	2.1
91.05490	10.1
93.07049	6.0
95.04974	2.5
95.08612	3.2
97.06532	1.2
97.10168	4.2
99.08101	0.5
103.05463	0.9
105.03377	0.7
105.07033	7.4
106.08680	2.4
107.04966	6.8
107.08576	4.8
109.02885	0.5
109.06525	3.3
109.10164	3.6
111.08074	1.1
115.05467	1.5
116.06216	0.4
117.07027	7.2
119.04967	0.8
119.08590	10.4
121.06512	5.7
121.10169	2.2
122.16947	0.4
123.04433	1.3
123.08046	1.3
125.09626	2.4
127.03925	0.6
128.06190	1.2
128.65936	0.4
129.07028	3.1
130.07832	0.5
131.04939	3.1
131.08578	4.9
133.06461	2.5
133.10124	2.2
135.08069	7.5
135.11719	0.4
136.93103	0.4
137.09621	1.3
141.07022	1.1
143.08595	2.3
144.05722	1.0
145.06485	5.4
145.07555	0.6
145.10138	3.0
146.07237	0.6
147.08055	5.6
147.11699	1.0
149.06044	0.5
149.09587	1.3
149.61838	0.3
151.07605	0.6
153.09103	0.9
155.08559	1.0
157.10095	1.9
159.08066	27.2
159.11707	1.2
160.08841	5.6
161.09636	3.8
163.07506	2.0
163.11234	0.9
169.10129	1.3
171.10339	0.4
171.11737	1.6
173.09634	4.2
173.13326	0.6
175.07611	0.6
175.11226	0.8
177.09102	3.0
181.10294	0.4
183.11743	1.0
185.09615	2.0
185.13278	0.5
187.11201	1.1
187.14838	1.4
189.09242	0.5
189.11163	0.8
189.12743	1.2
191.10695	0.6
193.12248	1.6
197.13216	1.2
199.11183	1.0
201.12744	0.6
205.15875	0.6
207.05159	0.4
211.11217	1.0
215.14328	4.3
217.12189	0.5
225.12837	0.6
225.16371	1.2
226.31093	0.4
233.15402	11.0
240.09970	0.5
242.24770	0.5
242.73872	0.4
243.17477	3.0
243.25127	2.5
253.15913	4.5
261.18533	1.2
271.16946	21.8
289.17999	100.0
289.29288	11.4
290.18289	0.6
290.26968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03944	2.6
55.01875	9.0
55.05513	48.8
56.96571	3.2
57.03440	7.4
57.07072	3.5
59.04993	2.1
65.03933	1.5
67.05507	27.1
69.03431	4.1
69.07076	14.3
69.79495	6.0
70.06597	1.8
71.04993	2.0
71.08631	2.0
73.66998	1.2
79.05494	29.8
81.03423	4.3
81.07059	27.0
83.04981	9.9
83.08622	15.8
85.06544	3.1
88.07639	4.5
89.07932	1.1
91.05481	25.6
93.07047	17.4
94.63594	1.0
95.04978	5.0
95.08603	11.0
97.06519	3.1
97.10174	23.5
98.20995	2.4
105.07040	24.9
106.08683	6.4
107.04952	5.1
107.08581	24.6
109.06522	4.8
109.10160	8.7
111.04456	2.6
111.08105	3.0
115.05447	13.8
116.06261	1.7
117.07022	65.2
119.08588	25.6
121.02861	1.7
121.06522	4.5
121.10144	2.6
123.08061	2.7
125.09637	17.1
127.03931	5.0
128.06235	3.2
129.06969	8.7
130.07747	1.4
131.08578	15.2
133.06514	2.5
133.10138	12.6
135.08055	14.1
135.09024	1.6
135.11667	1.4
136.93088	1.8
137.05890	1.7
137.09647	1.9
141.06995	2.8
142.07790	3.3
143.08568	12.6
144.05684	1.4
145.06487	65.2
145.10144	11.6
147.08078	4.5
147.11668	4.9
149.05981	1.9
149.09596	2.1
151.07518	1.7
153.06984	1.1
153.09077	3.1
154.94165	3.4
155.08562	5.1
157.10127	13.6
159.08064	15.2
159.11687	6.3
160.08795	1.2
161.09621	4.4
161.13275	2.9
163.07544	7.0
163.11133	1.8
167.08705	1.4
168.09407	1.2
169.10109	6.4
171.10255	1.3
171.11707	3.3
172.95258	4.8
173.09595	6.1
173.11809	1.9
173.13297	3.6
175.11169	2.5
175.14857	1.2
177.09146	2.1
183.11659	5.2
185.09601	2.3
187.11203	2.1
189.11232	9.4
189.12764	2.4
190.96310	1.6
191.10736	2.5
193.10194	1.7
197.13257	2.3
201.09126	1.9
201.12801	1.4
211.11325	1.5
211.14859	1.6
215.14384	2.2
215.17831	1.6
219.13908	1.8
225.12823	1.2
225.16423	8.6
228.97919	3.9
233.15536	1.7
235.14828	3.9
239.17946	1.5
243.17444	7.2
246.98972	2.9
253.15942	10.1
257.19019	5.0
261.18469	2.3
266.15570	1.6
269.11050	1.9
271.16934	100.0
289.18011	46.5
289.21616	20.2
289.25299	1.6
289.29279	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	289.1798
Annotation	16-Epiestriol
Peak:m/z	Relative Intensity
53.03942	2.6
55.01874	7.2
55.05513	16.4
56.89042	0.5
57.03440	20.7
57.07065	0.9
59.04996	0.8
65.03936	2.1
66.98986	0.5
67.05507	24.2
69.03433	3.7
69.07066	10.5
69.98240	2.7
71.04993	2.0
73.06548	1.2
79.05492	23.0
81.03409	2.1
81.07057	22.2
81.07536	1.3
83.04984	36.9
83.08617	4.6
85.06554	3.3
91.05482	33.6
93.07050	20.0
93.07636	1.0
95.04971	8.1
95.08611	15.8
97.06512	2.9
97.10161	2.1
99.04456	8.6
99.08140	0.9
103.05466	2.2
105.07034	31.2
107.04962	20.0
107.08595	11.7
109.06516	12.1
109.10178	5.1
111.04443	18.7
111.08083	2.7
113.06016	2.7
115.05464	2.3
117.07021	14.4
119.04971	0.8
119.08586	22.4
121.06506	6.4
121.10143	5.6
123.04429	1.7
123.08094	3.6
123.11729	1.4
125.05997	7.4
125.09643	1.0
127.03939	1.2
128.06226	4.1
129.05527	0.9
129.07008	7.1
131.04915	0.9
131.08568	17.3
131.09534	1.1
133.06491	8.6
133.10136	14.6
135.04451	0.8
135.08046	10.4
135.11705	4.5
137.05980	3.4
137.09616	2.8
139.07539	1.5
141.07008	3.1
142.07793	0.7
143.08560	5.5
144.05727	0.7
145.06496	6.6
145.10124	11.9
146.07327	1.0
147.08061	9.5
147.11667	6.7
149.05997	3.9
149.09654	3.8
149.13269	1.8
151.07570	3.6
151.11212	0.9
153.09042	0.7
154.07780	1.1
155.08537	4.7
157.10173	4.6
158.07251	0.6
159.08066	10.1
159.11729	8.0
160.08844	1.7
161.06007	1.2
161.09619	10.3
161.13260	2.9
163.07515	2.9
163.11176	4.2
165.06921	0.8
165.09120	1.4
165.12851	1.0
167.08487	0.7
169.10135	4.5
171.11697	4.9
173.09648	6.0
173.13271	5.1
175.07466	1.0
175.11160	3.9
175.14766	0.7
177.09143	3.0
177.12756	9.1
178.13536	1.3
179.10693	1.1
179.14297	0.7
181.10173	1.2
183.11783	3.1
185.09679	2.2
185.13264	1.4
187.11250	3.7
187.13261	0.7
187.14795	4.4
189.09215	1.3
189.12790	2.4
191.10709	1.2
191.14314	0.8
193.12247	1.1
197.09628	1.0
197.13229	3.7
199.11197	2.0
201.12750	1.8
201.16451	0.7
205.12225	1.1
205.15848	4.6
211.11150	1.1
211.14908	1.1
213.12860	0.7
215.14322	6.4
215.17760	3.2
217.12271	2.2
225.16447	1.4
229.15878	1.6
233.15372	17.5
233.18964	0.7
238.71527	0.7
239.17995	1.5
243.17424	7.5
253.15921	4.5
257.18982	3.0
261.18521	18.8
261.21283	1.1
271.16919	15.6
289.18002	100.0
289.21573	16.1
290.18243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1648
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.03939	2.3
55.01875	4.2
55.05515	7.3
59.20776	1.8
66.77307	1.7
67.05511	13.7
69.03433	3.2
69.07074	15.3
69.96482	6.7
71.04998	11.1
76.56864	1.5
79.05500	15.8
81.07065	43.0
83.04993	17.3
83.08624	6.4
85.02882	1.7
85.06537	5.3
91.05486	14.0
93.06486	3.7
93.07050	47.9
95.04971	16.3
95.08614	36.1
97.06535	23.3
98.21524	2.1
99.04459	19.0
105.04536	1.8
105.07039	33.9
107.04958	5.5
107.08601	27.7
109.06522	25.9
109.10160	7.4
111.08094	22.1
113.06009	3.9
117.07034	3.0
119.08584	19.6
121.06515	75.8
121.10159	6.0
121.69609	1.8
123.04432	5.2
123.08089	5.6
123.11729	11.7
125.05992	13.1
127.07583	6.8
129.07010	3.9
131.08556	5.8
133.10141	23.0
135.04434	5.7
135.08055	13.9
137.06015	3.1
137.13303	2.1
139.07558	21.7
141.05527	2.7
142.07809	2.9
143.07048	7.7
143.08575	6.9
145.10129	4.2
147.08095	4.2
147.11694	45.0
149.13272	3.9
151.07555	2.9
151.11145	8.4
153.01819	6.8
153.09132	1.9
156.09312	2.8
157.08833	12.9
157.10034	15.3
159.06561	15.5
159.07846	3.2
161.06013	2.5
161.13266	11.2
163.03944	4.4
165.12801	16.4
166.07784	1.6
167.02371	2.0
169.08517	3.2
169.12257	21.7
171.11685	14.4
173.13254	1.8
175.11212	29.5
179.14256	2.0
181.10146	5.4
182.00545	1.9
189.12740	19.2
191.12752	2.0
193.08382	1.7
193.12271	30.1
199.11206	28.4
207.13812	17.2
211.13329	36.3
217.12245	95.6
225.14755	2.0
229.14391	14.2
235.13298	100.0
253.14371	65.0
258.34009	1.9
271.15546	3.1
289.06064	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	289.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
53.68758	0.5
54.55241	0.5
55.01859	2.4
55.05512	6.6
55.71618	0.5
56.96564	1.4
57.03439	13.8
57.07061	1.5
59.05016	0.7
65.03934	1.2
67.05173	0.8
67.05506	9.1
69.03433	1.4
69.07077	5.2
71.04980	2.1
71.53951	0.7
72.62781	0.5
79.05496	10.3
80.04990	0.6
81.03426	4.2
81.05796	0.9
81.07059	11.7
83.04987	2.9
83.08612	3.4
84.08163	0.8
85.02884	0.7
85.06545	3.1
91.05485	16.2
93.07050	9.7
94.06577	1.3
95.04969	6.8
95.08610	8.8
96.08109	1.7
97.06522	3.2
97.10201	2.5
98.97588	3.5
99.04390	0.6
99.08116	0.9
101.00885	0.8
103.05467	1.6
105.03439	1.0
105.04501	0.8
105.05790	0.7
105.07036	9.3
106.06540	2.2
107.04961	38.0
107.08604	8.1
108.08126	0.7
109.02884	0.9
109.06516	10.1
109.10158	5.5
111.08059	1.7
112.02203	1.5
113.06007	5.1
115.05448	1.1
116.05002	1.1
116.98605	1.2
117.05753	0.9
117.07009	5.2
118.06554	5.1
119.01916	0.9
119.04910	1.8
119.07334	0.8
119.08591	14.5
119.74970	0.5
120.08108	14.6
121.06510	6.3
121.10136	4.4
122.09684	1.0
123.04449	0.8
123.08051	1.9
123.11695	1.8
124.07589	10.9
125.09660	1.0
126.09167	1.0
127.03927	1.4
128.06190	1.3
129.06998	3.5
131.04881	0.7
131.08588	5.1
133.02853	0.5
133.05417	0.8
133.06490	5.7
133.10133	4.4
134.06036	6.4
134.99635	0.7
135.04387	0.6
135.08061	8.2
135.11707	2.1
136.07579	7.0
137.09599	1.8
137.13205	0.6
138.05484	1.7
140.01640	0.9
141.06989	1.2
142.07735	1.2
143.08546	3.4
145.06494	2.6
145.10112	4.2
146.05995	5.4
147.06787	3.2
147.08058	5.3
147.11705	2.2
148.07573	11.2
149.05969	2.0
149.09639	1.2
149.13281	1.8
150.09163	1.0
151.07535	1.1
151.11124	0.8
152.07054	0.7
153.09180	0.7
155.08546	1.4
156.09282	0.7
157.06546	1.0
157.10144	2.5
159.08054	16.4
159.11688	2.5
161.09625	4.4
161.13255	2.2
163.07571	4.2
163.11182	0.9
163.14828	0.8
164.07074	100.0
165.07819	1.3
165.09027	3.5
166.07491	0.7
166.08661	3.3
169.10120	2.3
171.11690	3.2
173.09616	3.3
173.13202	1.3
175.11201	1.9
175.14882	0.7
177.00699	0.7
177.09090	1.8
177.12784	0.8
181.10107	0.7
183.11650	0.9
185.09608	1.0
185.13255	0.8
186.02196	1.1
187.11139	1.3
187.14862	1.5
189.09103	1.2
189.11162	0.7
189.12605	2.6
189.16322	0.8
191.10658	5.4
197.09544	0.7
197.13287	1.2
199.11192	2.1
200.10820	0.7
203.10680	0.6
215.14072	0.9
215.15724	0.9
215.17755	0.9
216.10168	2.7
216.59772	0.6
217.12273	6.4
225.16412	1.6
228.10310	1.2
229.13469	0.9
229.15712	1.2
231.13820	1.3
233.15367	6.3
243.04372	0.6
243.14915	6.0
243.17485	2.2
245.16452	2.6
247.16948	0.7
253.13486	1.1
253.15901	3.8
254.11719	0.8
261.18515	2.1
271.14417	20.9
271.17010	10.3
271.24084	1.3
289.06030	1.6
289.15445	83.7
289.18118	33.1
289.24734	4.4
290.15613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05275	1.5
55.05516	20.5
57.03443	8.2
57.07072	1.1
57.67183	1.0
59.04992	1.4
67.05493	1.9
69.03435	9.1
69.07061	0.8
69.30117	5.8
71.04977	1.3
73.06565	4.5
81.07053	1.6
83.04988	84.1
85.02908	8.0
85.06545	2.1
85.26630	0.8
88.59431	0.7
95.04981	7.9
95.08584	1.1
101.05396	1.2
101.06025	10.2
105.07037	1.6
107.08659	1.0
111.04452	100.0
119.08578	1.5
127.03918	2.0
129.05496	13.0
131.08556	1.7
133.10121	0.9
148.40659	0.9
153.05510	1.5
167.07030	2.6
171.06551	4.3
183.11801	0.9
185.08133	3.0
189.07640	1.8
189.34959	0.8
190.66623	0.8
211.09627	2.8
227.09123	3.7
245.10165	2.0
289.21600	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	289.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.4
57.03443	6.9
57.07075	1.5
57.31754	0.8
59.05008	5.1
67.05505	1.5
69.03424	9.3
69.07053	1.5
69.94674	4.5
69.94949	1.0
71.55014	0.9
73.06563	5.9
74.13649	0.9
78.76956	1.0
80.75673	0.8
81.07058	2.3
81.64497	1.0
82.82071	0.9
83.04984	80.0
85.02924	7.9
85.06558	6.3
87.00830	1.2
87.04478	1.1
91.05497	3.0
93.07046	2.9
95.04979	6.8
95.08624	2.8
98.21492	1.3
101.06026	7.6
105.07040	3.0
107.08610	1.1
111.04449	100.0
119.08608	2.0
121.10193	1.1
127.03938	3.9
129.05482	12.1
131.08568	2.5
133.10098	2.2
136.42938	1.0
145.10167	1.6
147.11740	2.3
153.05518	1.3
157.10100	1.2
159.11705	1.3
167.07082	2.5
171.06517	4.9
171.11676	1.0
173.13278	2.7
183.11674	2.2
185.08086	2.2
209.83636	0.9
211.09662	2.9
226.01805	1.0
227.09081	5.3
229.10707	1.1
257.19122	1.4
271.20688	1.0
289.18546	1.4
289.21667	8.5
289.25101	2.6
289.29337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08165	0.7
53.03956	1.0
53.81431	0.6
55.01860	0.8
55.05514	23.8
57.03434	9.6
57.07087	0.8
59.05000	3.5
65.03933	0.8
67.05492	2.8
69.03076	1.1
69.03432	10.8
69.07052	1.5
70.71168	2.0
71.04997	1.3
73.06237	0.6
73.06567	7.0
79.05487	1.9
81.07044	2.4
83.04987	83.2
85.02904	8.1
85.06532	1.9
87.00834	1.0
91.05494	4.2
93.07042	2.3
95.04967	8.6
95.08615	3.5
101.06028	8.3
105.07035	5.3
107.08578	1.7
109.10184	1.7
111.04448	100.0
117.07052	2.1
117.83665	0.7
119.08594	5.2
121.10166	0.8
127.03947	3.1
129.05487	14.0
131.08583	2.9
133.10153	4.0
134.38602	0.6
135.11656	1.0
141.07014	0.9
143.08574	0.9
145.10132	2.3
147.11708	2.3
157.10152	1.5
159.11757	2.0
161.09602	0.8
161.13271	1.8
167.07072	3.1
171.06502	3.4
171.11667	1.2
173.13289	2.0
175.14877	1.3
183.11771	1.1
185.08093	2.5
189.07584	1.6
197.13322	1.1
199.14868	0.8
211.09656	3.8
215.18073	1.4
227.09154	4.3
229.10622	1.3
239.17853	0.9
245.10248	2.1
257.19070	1.8
289.18414	1.6
289.21625	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18898	0.3
55.05511	0.4
56.96563	1.7
59.19885	0.4
63.05673	0.3
69.07080	0.5
70.06596	0.9
71.04990	0.8
71.24769	0.5
71.25096	0.5
72.08155	1.9
73.08472	0.5
79.05450	0.4
81.03407	0.6
83.04980	0.6
84.08146	1.3
85.02924	0.5
86.09702	0.7
91.05497	0.4
93.07040	0.6
95.08622	0.4
97.02884	0.6
98.97570	1.4
109.02900	0.6
115.07554	0.6
116.98624	0.6
119.01914	0.4
121.01698	0.6
121.06512	0.5
127.03925	3.4
129.10208	0.5
132.08098	0.7
139.02725	0.5
144.12177	0.5
148.58868	0.4
151.11214	0.5
163.03902	0.4
164.98103	0.4
174.56728	0.4
192.03354	1.1
196.64955	0.4
210.04373	0.7
243.30333	0.4
272.05606	0.5
289.12592	100.0
290.13083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01875	0.7
55.05505	0.9
56.96565	2.1
57.03444	0.6
59.05006	0.8
61.02927	1.6
67.05506	0.6
69.03429	2.6
69.07069	1.5
69.37533	0.5
69.96446	1.1
69.96811	2.2
70.06590	1.6
70.98139	0.8
71.04986	1.4
72.08156	3.0
81.03415	1.6
81.04533	0.7
81.07053	1.6
83.04964	0.6
84.04493	1.1
84.08147	1.9
85.02904	8.4
86.09724	3.0
87.04458	0.8
87.10061	0.8
89.55894	0.5
94.06584	0.7
95.06096	1.1
97.02892	2.2
98.97585	3.0
99.04469	0.9
101.00901	1.1
109.02900	1.3
110.97599	1.1
111.05560	2.9
112.96700	0.5
112.99138	1.1
115.02466	0.8
116.98614	1.5
119.01956	1.6
120.08086	0.6
122.02700	0.8
122.06039	3.2
123.05541	1.9
127.03925	100.0
129.10254	0.8
131.00143	1.0
133.03464	1.4
136.06174	0.7
137.05957	0.9
141.06583	4.3
143.01868	0.7
145.04953	0.8
150.05493	1.5
158.99631	1.3
159.04996	0.8
162.05472	0.7
168.06633	0.8
187.08170	1.1
189.00691	1.1
199.08287	0.8
203.04097	0.7
219.01807	0.8
221.05063	1.0
221.08618	2.3
221.12778	1.1
239.14005	1.8
247.01175	1.3
252.50157	0.6
266.08862	0.7
271.16513	4.6
289.12585	84.1
289.17770	3.7
307.12445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.60276	0.2
53.03938	0.4
54.62756	0.2
55.01867	0.5
56.96561	0.4
57.00245	0.2
57.03429	0.4
61.02920	0.9
68.61171	0.2
69.03427	1.9
70.06586	0.2
70.98102	0.3
71.04990	0.3
71.25768	0.4
71.26119	0.3
72.08158	0.3
73.02918	0.3
81.03410	0.9
85.02441	0.3
85.02909	4.6
86.09698	0.5
91.03957	0.2
97.02876	1.4
98.97590	0.3
99.04422	0.3
109.02908	0.9
112.99152	0.2
114.62197	0.2
127.03918	100.0
128.04233	0.3
128.98599	0.2
145.04927	1.0
247.01134	0.3
289.09314	0.2
289.12555	3.5
289.17612	0.3
289.34692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
56.96571	5.6
57.03433	2.0
58.52687	0.8
58.99876	1.4
61.02927	2.3
68.85163	1.0
68.98284	1.2
69.03424	3.3
69.34058	6.7
70.06591	3.1
70.99859	3.3
72.08154	2.3
73.02914	1.8
79.05499	1.2
81.03447	1.1
81.04583	1.1
82.99836	10.3
84.04506	1.9
84.08152	4.1
85.01418	1.0
85.02908	6.7
85.93708	0.8
86.09703	2.0
87.04468	0.8
97.01410	6.0
97.02909	2.7
98.97588	4.0
101.00890	83.2
103.02420	0.8
104.10764	1.0
108.04493	1.6
109.04824	2.1
112.99149	13.0
113.00871	10.3
113.03495	1.0
115.02440	24.5
116.98661	1.8
117.03996	2.1
119.01933	100.0
125.07181	0.9
126.05509	2.2
126.98801	2.6
127.02424	1.5
127.03942	3.1
127.04985	1.0
127.05923	3.4
129.04005	6.9
129.10291	0.9
131.00233	9.1
131.01917	18.2
131.05605	1.3
133.03482	38.3
135.03255	0.8
135.05110	1.3
136.06200	1.9
136.68689	0.9
137.02962	10.7
141.03888	0.8
143.01912	23.7
143.08160	0.9
144.99818	4.7
145.03464	9.1
147.01405	2.0
147.05017	6.7
149.01263	2.7
149.02956	3.0
151.04544	4.4
152.05701	1.4
153.00380	1.3
155.01845	2.6
157.03491	3.8
158.99728	1.2
159.01385	2.3
159.05064	2.7
161.02968	52.4
161.06639	2.6
163.04575	2.0
163.44473	0.8
165.56133	0.8
167.02017	1.5
168.99828	13.8
169.04524	1.3
169.54613	3.7
170.04733	1.1
171.01402	9.4
173.02966	11.7
175.00906	2.9
175.02672	1.2
175.04521	1.7
175.11855	1.4
177.02370	1.6
177.06255	1.1
178.04938	6.8
178.55128	8.3
179.03943	1.8
180.99857	0.9
183.05093	1.7
185.02982	2.8
187.00903	34.1
187.04503	4.6
189.02460	9.6
191.03999	9.2
193.03877	4.0
196.99321	8.8
199.00905	16.8
199.04480	4.5
201.02461	6.1
203.00432	1.6
203.04066	2.7
205.01965	13.6
205.05446	0.9
207.03493	2.7
207.07065	1.4
207.57233	2.1
208.07367	1.3
211.04932	1.4
215.00398	35.4
216.99910	1.4
217.01981	27.3
219.01749	1.2
219.03545	10.3
219.07025	2.0
221.05104	1.0
223.02980	2.0
227.03963	1.0
229.01993	14.6
229.05583	2.7
230.13889	1.3
231.03569	2.8
233.01454	4.7
235.03073	1.5
242.55910	1.1
245.01357	1.1
245.05222	1.3
247.03014	37.8
257.01633	1.6
257.05087	2.9
259.03021	2.6
261.08517	1.0
265.04025	6.6
271.03101	0.9
271.06717	1.5
272.56686	1.8
275.06195	1.7
277.04083	5.0
288.59940	5.3
289.04089	13.4
289.07684	10.8
289.10529	0.8
289.14328	1.3
289.20544	2.4
293.03665	2.1
307.05099	7.9
307.08752	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	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88455	0.9
56.96578	6.2
57.03448	1.6
58.99860	2.2
60.05638	1.4
61.02922	2.4
68.98306	1.3
69.03419	3.1
70.06580	3.4
70.34251	3.0
70.34648	1.9
70.99847	3.2
72.08138	2.7
73.02913	1.9
73.51955	1.1
81.04562	1.2
81.66422	1.2
82.99824	9.6
83.00225	1.0
84.04474	1.5
84.08143	2.9
85.02903	5.6
86.09710	2.5
97.01405	6.4
97.02332	1.2
97.02888	4.6
98.97590	4.8
101.00890	74.2
103.02480	1.1
106.02860	1.4
108.04501	2.0
109.04827	1.9
112.99144	13.0
113.00864	8.6
115.02439	24.5
115.03248	1.7
116.07133	1.1
116.98663	1.1
117.04012	1.7
119.01930	100.0
125.00813	1.2
126.05540	2.4
126.98772	2.2
127.02411	2.6
127.03925	4.7
127.04951	1.7
127.05847	3.6
127.08710	1.4
129.03996	9.1
131.00211	8.2
131.01909	17.1
133.03482	35.2
135.04973	2.0
137.02956	11.7
143.00185	1.3
143.01912	24.6
144.99831	3.1
145.03485	8.8
147.01421	1.4
147.05031	5.7
149.01236	2.4
149.02992	2.3
151.04520	4.5
152.05699	1.6
153.00336	1.2
155.01923	1.5
157.03476	4.4
158.69591	1.0
159.01462	1.4
161.02969	59.9
161.06619	2.7
163.04533	1.9
168.43069	1.0
168.99837	15.1
169.04492	1.3
169.54637	3.5
171.01390	10.6
171.04892	1.1
172.99326	1.5
173.02962	11.2
175.00903	2.8
175.04559	1.2
177.02512	1.8
177.06107	1.2
178.04901	7.9
178.55096	4.6
180.99809	1.8
185.02989	3.3
187.00888	30.6
187.04512	5.7
187.06032	1.1
189.02466	7.2
189.03926	1.2
191.03976	8.7
193.02103	1.2
193.03856	3.0
195.07213	1.2
196.99312	7.1
199.00870	15.2
199.04573	2.8
199.08159	1.2
201.02434	4.6
201.05919	1.2
203.00380	1.2
203.04016	1.8
205.01971	15.0
207.03502	2.0
207.07082	1.0
207.57355	1.4
211.04797	3.1
215.00383	32.8
217.01971	25.5
217.05374	1.2
219.03543	9.0
221.04855	1.5
223.03030	1.8
229.01993	13.3
229.05623	2.0
231.03540	3.9
233.01462	5.2
242.55824	1.4
244.31015	1.4
245.01308	1.3
247.03026	37.6
247.05513	1.9
250.57042	1.5
251.02191	1.1
257.01532	1.2
257.05060	1.9
259.03110	1.9
265.04120	7.0
271.06723	1.4
277.04037	4.6
288.59933	2.9
289.04047	13.4
289.07626	12.1
289.14584	1.2
289.17697	1.3
289.20654	3.0
293.03500	1.9
307.05093	6.6
307.08627	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	288.1919
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.01862	0.7
55.05515	8.6
56.96577	2.0
57.05827	1.4
60.05662	0.6
67.05511	1.4
69.03432	2.4
69.07080	1.8
70.06597	8.1
71.04993	0.5
71.53658	0.8
71.54092	0.6
72.08159	100.0
74.58617	0.5
75.47685	0.5
79.05501	0.8
80.04972	0.4
81.03522	0.5
81.07056	1.6
84.04506	0.8
84.08140	4.4
85.02918	1.7
85.06532	0.5
86.09710	79.5
91.05484	1.0
93.07037	1.1
95.04952	0.7
97.02901	1.1
97.06553	0.9
98.97591	4.4
104.07085	0.9
104.22292	0.6
105.07059	0.7
107.04955	0.8
107.08581	1.5
109.02881	0.6
109.10168	1.1
112.08720	1.2
115.03969	0.6
116.07099	1.3
116.98598	2.4
118.08671	5.9
119.08591	0.7
120.08118	3.1
121.02878	0.8
121.06493	0.7
121.10167	1.5
124.07587	2.4
129.10246	57.4
130.06546	1.1
132.10210	16.5
143.11801	42.3
147.11421	0.6
149.13312	0.5
157.09735	24.8
157.13350	6.5
158.99635	1.5
161.01221	0.6
171.03229	0.9
171.11285	15.2
173.13216	0.6
175.11893	2.0
177.05418	0.9
185.12831	2.7
189.04282	1.2
189.12346	9.9
191.14346	0.8
198.11203	0.9
205.58224	1.1
213.04370	0.8
214.08664	0.6
214.63448	1.1
231.05382	0.6
231.16980	0.8
243.17097	0.9
247.01152	0.5
259.05521	0.7
265.07367	0.7
270.13361	1.1
271.17731	0.6
288.02567	0.8
288.05844	13.4
288.11017	0.9
288.14206	1.3
288.19913	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	287.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05375	0.2
50.59253	0.1
53.03943	0.3
55.01858	0.3
55.05513	1.6
56.96559	0.5
57.03438	0.4
57.07068	0.5
65.03927	0.6
67.01867	0.3
67.05505	5.5
68.99791	1.6
69.03417	0.5
69.07067	2.6
70.06568	0.1
71.04991	1.3
79.05489	3.0
81.03414	0.4
81.07056	7.1
83.04975	0.5
83.08613	1.5
85.02908	0.3
85.06093	0.1
85.06535	1.0
91.05478	2.1
93.06479	0.3
93.07043	3.8
95.04964	0.6
95.08611	7.1
97.06525	1.3
97.10156	0.9
98.21571	0.2
98.97582	0.9
103.05457	0.2
105.03392	1.0
105.04574	0.2
105.07031	1.8
107.04972	1.2
107.08595	2.7
109.02881	0.5
109.06512	0.3
109.10155	4.1
111.00785	1.3
111.04379	0.2
111.08064	0.5
111.11718	0.3
116.98609	0.2
117.07019	0.6
119.08578	1.4
120.02211	0.1
121.02864	5.7
121.03872	0.3
121.04082	0.2
121.06497	0.5
121.10153	3.2
123.08092	0.3
123.11700	1.4
127.03914	0.2
127.07593	0.2
128.06235	0.2
129.06984	0.6
131.08553	1.0
133.02786	0.7
133.10135	1.7
135.04395	0.3
135.08044	0.6
135.11694	2.1
137.02322	2.1
137.05994	0.3
137.09625	0.6
137.13251	0.3
141.06978	0.3
143.00146	0.2
143.08553	0.2
145.06479	0.6
145.10107	1.1
147.04411	1.1
147.08119	0.1
147.11681	0.7
149.09602	0.4
149.13248	0.9
151.03915	0.2
151.11157	0.4
153.01833	9.2
153.09152	0.2
155.10721	0.3
157.06476	1.2
157.10170	0.3
158.99573	0.2
159.11673	1.1
161.05992	0.6
161.13289	0.2
163.03909	0.2
163.11197	0.6
165.01845	2.9
167.10669	0.3
169.12157	0.2
171.04404	0.5
171.11653	0.2
172.25012	0.1
173.13243	0.5
175.03912	0.2
175.07600	0.2
181.12238	0.4
183.02893	1.3
185.05974	0.9
187.14838	0.3
189.05563	0.3
189.16370	0.3
191.17920	1.8
195.04446	0.2
195.13678	0.2
197.06042	0.4
199.03958	0.2
201.05457	0.2
201.16382	0.4
202.06314	0.1
203.03398	0.2
203.07030	0.2
209.11754	0.2
209.15395	0.2
209.19019	0.7
212.04683	0.1
213.05455	2.5
213.14032	0.1
215.07092	0.2
215.17944	2.1
216.04044	0.2
219.01770	0.2
225.22166	0.3
229.04799	0.2
231.06561	1.1
233.19000	1.4
241.04980	1.4
241.09801	0.2
243.06595	0.2
246.07477	0.2
251.20091	1.6
258.05240	1.8
259.06064	0.6
259.09540	0.3
269.04504	0.4
269.21021	1.1
287.05493	100.0
287.23392	0.5
288.05817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2006
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03936	4.3
55.05517	10.3
56.96559	8.1
57.07079	10.2
59.04979	2.4
67.05505	20.8
69.03420	6.6
69.07070	14.8
71.04976	3.5
71.11950	2.4
71.12281	1.9
77.56294	1.6
79.05499	14.0
81.03397	3.3
81.06664	2.2
81.07059	26.1
83.04961	5.8
83.08607	5.9
85.06530	6.6
86.09695	2.8
91.05480	18.2
93.07050	23.6
95.04969	23.8
95.08611	23.9
97.02887	2.8
97.06535	12.1
98.97549	1.7
98.98489	2.6
99.08074	2.9
102.18851	1.5
104.10716	2.4
105.07034	29.9
106.07880	1.7
107.08596	29.3
109.06513	7.4
109.10173	12.1
111.08026	2.6
117.06999	9.7
119.08582	31.7
120.09325	1.9
121.02858	1.9
121.06509	5.1
121.10155	28.7
123.08039	4.5
123.11725	1.9
124.99994	3.8
125.09631	3.8
126.00896	1.7
127.19106	1.7
128.06244	4.6
129.06990	7.5
130.07787	3.0
131.08556	28.9
133.10136	21.8
135.08064	4.8
135.11696	9.1
137.09523	2.7
138.83501	2.0
141.07028	3.1
142.07767	7.8
143.08551	18.7
144.09378	9.4
145.06520	1.9
145.10123	22.9
147.08005	4.4
147.11691	12.1
149.09631	11.7
149.13312	3.3
151.11133	3.2
153.01813	4.8
155.08553	7.2
156.09378	9.7
157.10144	21.4
158.10860	8.5
159.08041	2.4
159.10471	2.6
159.11694	28.3
161.09601	6.0
161.13255	6.8
163.11130	2.7
165.01778	1.9
165.06976	2.8
169.10091	8.8
170.10898	9.4
171.11682	21.3
172.12450	2.5
173.09561	5.5
173.13269	28.0
175.01544	5.7
175.07710	1.9
175.11182	4.9
175.14821	4.8
177.06723	4.7
177.12727	3.8
181.10156	2.6
183.03004	2.5
183.11687	6.1
184.07376	2.3
184.12430	2.6
185.13263	15.9
186.13983	4.1
187.11206	9.6
187.14818	11.1
189.12761	9.7
191.07069	9.6
191.14250	5.2
193.12196	3.0
195.11705	8.5
196.12564	2.5
198.10451	4.0
199.11192	5.2
199.14836	7.2
201.12602	3.0
201.16438	4.1
203.14304	6.5
208.71414	1.9
209.05978	2.3
209.13248	4.0
211.14819	6.7
213.12747	17.6
213.16344	2.6
214.95427	1.8
215.17897	1.7
227.14262	7.4
227.17894	1.8
229.15903	6.8
231.13719	10.8
232.96474	2.6
239.14178	2.5
240.09964	3.2
241.19499	5.0
251.18005	4.3
258.05289	2.3
269.19012	50.8
269.22018	1.8
287.05511	69.1
287.08276	2.8
287.13260	10.1
287.16547	8.4
287.20044	100.0
287.23572	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	287.2004
Annotation	CHEBI:70567
Peak:m/z	Relative Intensity
54.65387	4.2
55.05517	10.7
57.03427	11.0
57.06835	7.5
57.07076	83.7
57.97580	4.6
62.67617	4.8
62.71198	4.3
64.36734	4.3
67.05491	10.3
69.07075	33.7
70.71210	9.7
70.71568	5.9
71.05014	6.5
79.05488	6.4
81.07040	21.2
82.12196	4.8
83.04972	25.6
85.06530	15.6
85.68008	5.3
93.07047	9.2
95.08587	13.7
96.66319	4.6
97.06500	8.8
102.39757	4.7
105.06994	14.7
107.08590	18.1
109.06533	4.4
109.08781	4.5
109.10166	22.7
111.04448	91.4
111.08075	7.4
113.05995	14.2
119.08607	29.3
121.10123	6.1
123.11690	22.8
129.05440	5.0
131.08537	9.9
133.10114	16.8
134.81111	4.3
135.07991	4.3
135.11671	5.0
143.08569	6.7
145.10101	24.7
147.11665	13.4
157.10187	11.0
159.11694	21.9
161.13312	11.7
161.65387	5.4
163.11217	6.7
171.11667	9.6
173.09564	7.5
173.13281	8.5
175.14906	22.7
175.16180	4.6
177.06750	6.6
185.13332	5.3
187.11125	4.9
189.16293	8.1
195.10193	10.9
201.16389	19.4
231.13715	7.0
269.19016	9.8
287.05490	8.6
287.20065	100.0
287.23291	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	287.2007
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
50.86417	2.0
53.03931	4.0
55.01858	2.2
55.05514	10.6
56.96564	5.2
57.07063	6.7
59.04980	5.6
63.00044	2.0
65.03905	1.8
67.05508	23.2
69.03421	5.5
69.07069	16.6
71.04993	4.2
78.04208	1.9
78.11074	1.9
79.05495	15.8
81.03416	4.8
81.07051	26.2
83.04971	5.4
83.08617	6.6
85.06537	5.9
86.09704	4.7
87.42925	1.8
91.05482	21.2
93.07055	24.2
95.04980	23.8
95.08608	22.2
97.06527	13.9
98.97570	2.9
98.98440	2.9
104.10742	3.7
105.07028	32.9
107.08588	29.5
109.06512	12.0
109.10165	16.8
111.04449	2.9
111.08083	4.8
113.06020	2.0
115.05462	2.3
117.07020	6.8
119.08584	29.5
121.02870	5.4
121.06516	3.6
121.10154	27.3
123.08078	3.8
123.11728	3.9
124.80235	1.8
125.00014	3.1
125.09647	2.3
128.06218	4.4
129.07010	9.1
130.07715	2.8
131.08565	28.5
133.06544	2.6
133.10115	19.6
133.31645	2.0
134.10863	2.8
135.02065	1.9
135.08023	6.4
135.11685	9.4
137.09599	7.3
138.52966	2.8
141.06970	3.1
142.07774	7.7
143.08566	16.9
144.09346	4.6
145.06519	2.5
145.10133	26.7
147.08023	6.1
147.11699	11.8
149.09622	9.0
149.13220	2.1
153.01814	6.2
153.07036	2.5
155.08537	8.7
156.09367	8.7
157.10123	25.6
158.10854	8.2
159.08031	3.3
159.11694	26.4
160.12444	2.3
161.05934	3.9
161.09631	7.1
161.13263	6.1
165.07076	2.7
167.03444	2.9
169.10138	8.3
170.10872	7.8
171.08081	2.3
171.11702	26.1
172.12518	3.5
173.09613	4.6
173.13277	28.3
175.11208	6.1
175.14771	5.3
177.06725	5.9
180.09290	2.5
181.10074	3.1
183.11714	3.7
184.07379	2.9
185.09586	3.2
185.13264	16.1
186.14052	4.4
187.11160	10.2
187.14806	9.7
189.12764	7.1
191.07027	8.7
191.14323	4.6
195.11671	7.3
196.12489	3.2
197.13268	3.3
198.10396	4.8
199.11076	5.2
199.14809	8.1
201.12900	2.2
201.16312	3.8
203.14343	6.8
209.13335	3.6
211.14848	6.2
213.12770	21.3
213.16345	4.8
223.14827	2.1
225.16426	3.2
227.14339	4.8
229.15935	5.1
231.13866	9.2
241.05070	2.6
241.15793	2.9
241.19579	5.1
251.17870	5.5
269.16159	4.1
269.19006	48.8
269.22043	3.7
287.05518	76.7
287.12869	5.6
287.16522	13.0
287.20041	100.0
287.23312	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	287.0551
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03938	0.1
54.80517	0.1
55.01871	0.1
65.03947	0.3
67.01877	0.2
68.99793	1.7
69.03426	0.1
70.59592	0.1
70.59999	0.1
71.01350	0.1
77.03950	0.1
79.05483	0.5
81.03411	0.2
86.03674	0.1
91.05477	0.1
95.04952	0.2
98.21606	0.1
103.05460	0.2
105.03396	0.8
107.04958	1.0
109.02878	0.6
111.00807	1.4
111.04459	0.3
115.05460	0.2
119.04947	0.2
121.02872	6.0
121.03912	0.3
127.03922	0.2
128.06212	0.1
129.07010	0.4
131.04977	0.1
133.02863	0.8
133.06512	0.1
135.04430	0.3
137.02345	2.2
141.06985	0.2
145.06499	0.6
147.04414	1.2
153.01834	9.4
155.04919	0.1
155.06079	0.1
157.06490	1.1
160.05142	0.1
161.02284	0.1
161.06003	0.4
163.03879	0.1
165.01842	3.2
166.02614	0.1
168.13794	0.1
169.06502	0.1
171.04433	0.7
173.05952	0.1
175.03906	0.1
175.07620	0.1
183.02908	1.2
183.04482	0.1
183.13490	0.1
184.05327	0.1
185.05981	0.9
189.05457	0.3
197.05931	0.3
199.03937	0.2
201.05475	0.1
203.03467	0.2
203.07076	0.3
212.04678	0.1
213.05463	2.8
216.04161	0.1
217.04980	0.1
229.04974	0.3
231.06535	1.2
241.04926	1.5
242.05763	0.1
242.08481	0.1
243.06535	0.3
245.04382	0.1
250.95306	0.1
257.04568	0.1
258.05237	2.2
259.05978	0.8
269.04395	0.3
270.05154	0.1
277.99893	0.1
287.05499	100.0
288.05804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68458	0.0
53.03953	0.1
55.01868	0.2
65.03944	0.3
66.01102	0.1
67.01873	0.3
67.05481	0.1
68.99791	1.7
69.03412	0.2
70.87136	0.1
71.01365	0.1
77.03967	0.1
77.30053	0.0
79.05496	0.5
79.81606	0.0
81.03427	0.3
81.07046	0.1
89.24047	0.1
91.05479	0.1
93.03411	0.1
94.04192	0.1
95.01328	0.1
95.04975	0.2
95.08601	0.1
97.02903	0.1
97.06569	0.1
103.05481	0.1
105.03388	0.7
105.07040	0.1
107.04293	0.1
107.04965	0.9
109.02882	0.7
109.10185	0.1
111.00816	1.5
111.04466	0.2
113.72076	0.0
115.05408	0.1
117.07008	0.1
119.04958	0.2
121.02874	5.8
121.03908	0.2
123.04453	0.1
127.03919	0.2
128.06232	0.1
129.07019	0.3
131.04907	0.1
133.02855	0.8
135.04424	0.3
137.02342	2.0
139.05426	0.1
140.31421	0.1
141.06982	0.2
145.06473	0.5
147.04398	1.3
153.01834	9.3
155.06035	0.1
157.06487	1.1
161.06007	0.3
163.03946	0.1
165.01840	3.6
166.02560	0.1
169.06462	0.1
171.03008	0.1
171.04416	0.6
173.06035	0.1
175.03911	0.1
175.07498	0.1
181.01237	0.1
183.02896	1.5
184.05286	0.1
185.05997	1.2
189.05461	0.3
194.02129	0.1
197.05974	0.2
199.03947	0.1
201.05482	0.1
203.03387	0.1
203.07071	0.2
212.04744	0.1
213.05470	2.9
216.04219	0.2
217.05043	0.1
223.03908	0.1
229.04901	0.4
231.06525	1.2
241.04951	1.6
242.05663	0.1
243.06499	0.2
245.04459	0.1
257.04684	0.1
258.02490	0.1
258.05246	2.3
259.06033	0.8
263.05579	0.1
269.04462	0.4
286.04706	0.1
287.05499	100.0
288.05789	0.8
292.49887	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03934	0.1
55.01871	0.1
56.96573	0.1
63.10172	0.0
65.03947	0.3
67.01862	0.2
68.99477	0.1
68.99790	1.7
69.03429	0.2
70.78913	0.1
71.01347	0.1
79.05492	0.5
81.03412	0.3
83.01331	0.1
91.05501	0.1
94.04211	0.1
95.01323	0.1
95.04965	0.2
97.02921	0.1
102.64610	0.0
103.05454	0.2
105.03391	0.8
107.04959	1.0
109.02893	0.7
111.00814	1.4
111.04435	0.2
112.61153	0.1
115.05470	0.1
117.07016	0.1
118.79726	0.0
119.04926	0.1
121.02872	5.9
121.03911	0.3
121.06500	0.1
127.03945	0.3
128.06261	0.1
129.07016	0.3
131.08574	0.1
133.02855	0.8
135.04445	0.4
135.08008	0.1
137.02341	2.0
141.06992	0.2
145.02806	0.1
145.06493	0.5
147.04410	1.3
147.08060	0.1
149.02342	0.2
153.01833	9.1
155.06059	0.1
157.06468	1.2
161.02354	0.1
161.05937	0.4
163.03905	0.1
165.01843	3.4
166.02570	0.1
169.06502	0.1
171.04391	0.6
173.06046	0.1
175.03947	0.2
175.07617	0.1
183.02895	1.6
184.05191	0.1
185.05975	1.0
189.05446	0.2
191.03333	0.1
194.02118	0.1
195.04312	0.1
197.06003	0.3
199.03893	0.2
201.05539	0.1
203.03386	0.1
203.07060	0.3
213.05467	2.9
216.04279	0.1
217.04927	0.1
219.06476	0.1
229.04962	0.3
231.06511	1.4
241.04964	1.5
242.05589	0.1
243.06378	0.3
245.04428	0.1
258.05252	2.0
259.06027	0.8
263.05814	0.1
269.04376	0.4
286.04736	0.1
287.05499	100.0
288.05829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96423	0.1
53.03941	0.3
55.01868	0.1
57.12668	0.1
62.66962	0.1
65.03930	0.2
67.01860	0.3
68.99786	1.5
69.03420	0.3
70.72536	0.1
70.97596	0.2
79.05484	0.5
95.04961	0.2
102.85625	0.1
103.05487	0.2
105.03394	0.9
105.06986	0.1
107.04945	0.9
109.02885	0.7
111.00800	1.2
111.04429	0.2
119.04896	0.2
121.02873	5.7
127.03915	0.2
129.06998	0.4
133.02879	0.8
135.04463	0.3
135.08089	0.1
137.02345	2.0
141.07010	0.1
145.06494	0.4
147.04427	1.3
151.03821	0.1
153.01833	9.0
157.06476	0.9
161.05862	0.3
165.01839	3.3
169.06558	0.2
171.04443	0.6
179.03142	0.1
183.02914	1.2
184.05281	0.1
185.05998	1.0
188.40677	0.1
189.05461	0.2
193.93892	0.1
197.05966	0.3
199.03781	0.1
203.03459	0.2
203.07059	0.3
213.05464	2.8
216.04233	0.2
229.04999	0.4
231.06557	1.1
241.04977	1.5
258.02588	0.1
258.05264	1.9
259.06088	0.8
265.35135	0.1
269.04449	0.4
287.05502	100.0
288.05804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03939	0.2
55.01862	0.2
56.56716	0.1
65.03928	0.3
67.01864	0.2
67.05520	0.1
68.99792	1.6
69.03416	0.2
69.07076	0.1
71.11881	0.2
71.12200	0.1
73.85370	0.1
79.05494	0.6
81.03402	0.3
81.07042	0.3
84.08163	0.2
86.39137	0.1
91.05481	0.2
93.07031	0.3
95.04973	0.2
95.08586	0.2
98.97559	0.2
101.06044	0.1
103.05421	0.2
105.03398	0.7
105.07043	0.1
107.04964	1.0
109.02889	0.6
111.00818	1.2
111.04437	0.2
115.05489	0.1
117.06993	0.1
119.04919	0.2
121.02872	5.7
121.06501	0.1
127.03850	0.2
129.06995	0.4
133.02867	1.1
133.10083	0.1
135.04407	0.2
137.02344	1.7
137.05986	0.2
141.06967	0.3
145.06465	0.4
147.04388	1.2
153.01831	9.5
157.06462	1.3
161.05995	0.5
165.01843	3.6
169.06519	0.1
171.04402	0.3
175.03883	0.2
175.07550	0.2
177.96228	0.1
183.02902	1.4
185.05977	0.9
189.05449	0.2
197.06062	0.3
199.03848	0.2
203.03433	0.2
203.07115	0.3
213.05470	2.7
217.04979	0.1
219.06396	0.1
229.04997	0.2
231.06534	1.0
241.04929	1.4
258.05261	1.9
259.05972	0.7
266.07880	0.1
269.04526	0.3
287.05499	100.0
288.05829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05501	1.0
57.07083	11.0
58.06594	2.2
62.05794	0.5
62.06092	7.0
67.05514	2.0
69.07097	0.7
69.97801	0.3
71.08642	4.6
72.08156	1.4
79.05510	1.6
81.03371	0.3
81.07064	1.9
83.08631	0.4
83.75268	0.3
85.10181	2.4
90.09209	1.2
91.05472	0.7
93.07024	0.5
95.08630	1.6
103.92576	0.3
105.07053	0.4
107.08589	0.6
109.10171	0.8
121.10158	0.5
123.11677	0.4
130.96359	0.3
134.95885	0.4
135.37700	0.3
148.97441	0.3
166.98543	0.8
176.96959	0.5
241.30605	0.3
268.30017	4.6
286.07883	0.7
286.31058	100.0
287.05450	0.6
287.31375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01880	1.6
55.05513	2.1
56.05024	0.7
56.96566	4.8
57.03439	4.0
57.07065	0.6
59.04999	1.6
60.05661	0.7
61.02931	8.3
68.05027	0.8
69.03429	6.3
69.07068	0.9
69.81232	3.0
70.06595	100.0
70.98110	0.7
71.04999	4.3
72.08154	4.2
73.02917	2.9
73.06536	0.6
78.47061	0.5
79.05499	2.0
81.03419	2.4
81.04576	0.5
81.07060	8.0
81.07517	0.7
82.05326	0.8
83.04968	0.8
83.06112	7.5
84.04498	2.7
84.08154	2.8
85.02911	13.4
86.09715	1.2
87.04467	0.9
89.06071	0.7
91.03925	0.9
93.04531	5.2
94.06554	0.9
95.04980	0.9
95.06096	11.9
95.08604	0.7
97.02899	5.8
97.19583	0.7
98.20759	1.0
98.97591	5.7
99.04464	1.8
99.08083	0.7
101.00884	2.3
101.02428	1.0
101.07156	0.7
102.05585	0.6
106.06586	0.8
107.04916	0.7
107.06081	1.4
107.07072	0.7
107.31223	0.5
109.02920	1.5
110.01283	0.7
110.07171	75.8
110.97570	1.1
111.05559	1.8
111.62841	0.5
112.07610	90.1
112.08685	2.6
112.99143	2.1
113.00867	0.6
114.05488	0.6
116.07095	6.8
116.98615	1.8
119.01907	3.7
121.07633	1.6
124.03963	11.4
124.07608	6.6
127.03922	4.9
128.02304	0.8
128.98633	1.3
129.06635	1.1
129.10283	1.0
130.05019	0.8
130.08662	1.8
131.00218	1.8
131.01920	1.7
133.03453	1.4
134.99644	0.8
136.08723	1.8
138.05518	0.6
139.03899	1.6
139.04973	0.7
140.07069	60.6
143.01923	1.9
143.03461	0.6
143.11832	0.6
145.03630	0.6
145.04912	2.6
147.07686	1.5
147.34848	0.5
150.05487	1.8
155.01920	1.0
156.03400	1.2
156.07695	10.3
157.03424	1.0
157.09732	5.1
157.10905	0.9
158.99635	1.0
160.06557	3.3
161.01276	0.9
161.02936	2.4
163.12312	39.3
166.06087	1.1
166.08632	1.2
168.03479	0.6
170.08147	0.9
170.99905	0.6
171.11290	0.7
172.01430	0.5
172.95236	0.9
173.02864	0.9
174.04430	1.5
175.03442	0.7
175.53571	0.5
177.00674	0.5
182.03337	0.9
182.09299	0.7
183.05093	0.6
183.11465	0.6
185.03040	1.1
185.09239	0.9
186.04445	2.8
186.96745	1.2
188.07637	0.8
189.00734	1.0
189.02399	0.6
190.05112	0.7
190.13390	6.8
191.03893	1.3
192.05533	1.0
195.09064	0.8
196.03142	1.1
197.12871	0.9
199.00900	0.9
200.04395	0.6
201.00674	0.6
203.02264	0.8
203.03984	0.9
204.05429	1.7
205.03671	1.4
208.14462	8.8
210.16028	1.0
215.00377	1.2
219.11298	1.7
221.03279	0.8
229.02037	0.7
231.03635	0.6
236.13979	6.1
237.02800	0.8
240.10201	0.8
240.13512	1.3
240.17102	6.5
241.15518	0.7
244.04875	0.8
244.13004	0.7
245.05048	1.1
247.01050	0.8
254.15013	15.7
259.03030	0.8
262.05991	0.6
268.12854	0.8
268.16623	0.7
286.07599	2.1
286.14322	5.4
286.17609	67.8
287.10962	2.1
299.02448	0.6
305.03104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.14
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
51.51237	0.6
55.05516	1.0
56.05035	1.0
56.96567	3.4
57.03436	2.2
59.05009	1.1
60.36903	0.7
61.02938	4.2
65.30103	0.6
67.05499	0.9
68.05051	1.0
69.03431	3.8
70.02656	2.6
70.06595	100.0
70.98129	0.9
71.05006	4.4
72.08160	2.9
73.02908	1.2
79.05518	1.7
81.03403	1.3
81.07060	8.8
82.05343	1.2
82.54414	0.6
83.06105	7.3
84.04510	2.3
84.08165	0.9
85.02907	6.0
85.06590	0.6
86.09720	0.8
87.04476	0.8
87.08106	1.2
91.03944	0.6
93.04542	3.2
95.05026	0.6
95.06097	9.1
97.02924	2.9
98.97597	4.7
99.04451	0.9
101.06028	0.6
101.07127	0.8
104.48397	0.6
106.06590	1.1
107.06094	1.5
109.02905	1.0
110.07173	62.0
110.97565	1.2
111.05593	0.9
112.07611	99.8
112.99144	1.1
116.07104	4.7
116.98647	2.0
119.01913	1.4
119.06028	0.8
121.07647	1.5
124.03969	7.5
124.07578	2.9
126.74997	0.6
127.03957	1.5
128.98602	1.1
129.06615	1.2
130.05055	0.7
130.08653	1.9
131.00166	1.0
131.01932	0.8
134.99638	0.7
136.08694	1.1
139.03928	0.8
140.07071	64.0
143.00137	0.7
143.01881	0.9
143.03371	0.6
145.04979	1.3
146.09633	0.7
147.07613	1.5
150.05492	3.0
156.03400	1.3
156.07703	9.0
157.09755	5.2
158.06613	1.0
158.99686	1.5
161.02980	1.1
163.12315	35.3
165.51805	0.7
166.06224	0.9
168.03380	0.7
170.08160	0.9
174.04407	1.7
176.07603	0.9
177.00743	0.7
179.89531	0.6
186.04388	2.8
190.13394	5.4
191.03986	1.0
193.13367	1.0
197.12927	0.7
203.02191	0.7
204.05478	1.7
208.14479	7.7
212.15163	0.8
215.00383	0.8
218.06717	0.6
219.01779	1.2
219.11310	1.6
223.07603	0.8
224.07718	1.0
236.13925	6.8
237.02847	0.7
240.10283	1.3
240.13408	1.1
240.17128	6.6
241.15504	0.9
244.04764	0.9
254.14975	12.6
262.05911	0.9
263.00833	0.9
268.12906	1.3
286.14313	5.0
286.17624	53.0
287.02139	0.7
287.11127	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.75744	1.5
53.03942	3.3
55.05518	13.4
57.07063	2.9
60.11903	1.9
61.13223	1.5
62.02811	1.7
67.05504	12.6
69.07074	48.1
69.48313	9.5
69.48724	2.5
71.05014	8.0
79.05490	12.9
81.07066	31.2
83.04996	2.7
83.08616	9.4
85.06521	1.8
91.05489	16.7
93.07051	29.3
95.04971	7.1
95.08614	35.6
97.06541	18.7
97.10152	6.9
98.20812	3.0
99.08094	3.3
103.05460	1.8
105.07038	49.0
107.08599	34.8
109.06522	24.2
109.10170	27.2
111.08092	5.7
111.11685	2.4
117.06984	7.9
119.08588	71.6
121.06502	7.6
121.10162	25.2
123.08054	5.0
123.11733	13.5
123.87637	1.8
131.08556	10.8
133.10141	44.7
134.11024	1.8
135.08075	10.8
135.11688	15.1
137.09602	5.6
142.07770	1.9
143.08566	7.3
145.10120	18.2
146.07234	8.0
147.08110	2.0
147.11699	19.1
149.09616	5.1
149.13272	5.3
151.11140	1.7
155.08533	1.8
156.09343	2.4
157.10127	6.9
159.11691	10.5
160.12506	2.2
161.09627	100.0
161.13257	7.3
163.11125	2.1
163.14728	2.0
169.10136	5.0
170.10925	1.8
171.11697	5.6
173.13293	6.7
174.61530	1.5
175.11406	2.6
175.14833	52.0
177.16440	9.8
182.10785	1.7
183.11656	4.5
185.13271	13.0
189.16376	2.6
191.92860	1.7
193.15877	9.9
197.13274	9.0
199.14771	2.0
201.16350	2.7
203.17998	3.4
211.14774	11.3
215.17908	4.9
225.16296	3.0
267.21161	9.8
285.22171	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03957	3.3
55.05518	24.2
57.07072	2.6
59.04996	2.9
61.77139	2.6
67.05503	20.9
67.34682	2.5
68.61654	2.4
69.07070	60.1
69.39295	16.4
69.39710	4.6
71.04991	6.3
79.05497	11.8
81.07059	30.4
83.04974	20.8
83.08627	5.4
91.05463	19.1
93.07043	34.4
95.04971	11.5
95.08610	45.2
97.06521	18.0
97.10178	5.7
98.20714	4.5
105.06319	3.5
105.07031	68.9
107.08607	46.7
109.06506	28.2
109.10160	27.9
111.04469	6.8
111.08102	7.3
113.22092	2.5
117.07021	9.5
119.08586	86.1
121.06537	12.9
121.10150	30.1
123.08089	6.1
123.11699	17.9
131.08600	7.8
133.10138	45.0
135.08066	7.3
135.11714	20.4
136.27876	2.4
137.09610	4.4
137.13206	3.8
143.08563	6.5
145.06383	2.5
145.10141	23.7
146.07291	10.6
147.08028	4.7
147.11676	23.7
149.09558	3.6
149.13293	5.8
155.08583	5.8
157.10138	8.4
159.08087	3.1
159.11682	10.5
161.09631	100.0
161.13275	10.2
163.14835	4.0
169.10229	5.0
171.11696	7.0
173.13304	7.5
174.41779	2.7
175.11293	4.8
175.14824	54.3
177.16409	8.7
183.11702	6.6
185.13228	16.0
187.14832	3.9
189.16507	4.8
193.15886	11.8
197.13298	11.1
201.16428	4.4
203.17978	3.5
211.14857	9.8
215.17989	3.3
225.16356	3.4
241.19470	3.3
242.05588	5.9
265.80408	2.6
267.21027	9.5
285.07437	14.5
285.22165	23.8
285.25494	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	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03950	2.6
55.01884	2.5
55.05516	14.1
56.96557	4.4
57.03441	24.3
57.07070	2.8
63.00047	2.2
67.05510	27.3
69.03410	4.7
69.07070	7.2
69.64244	11.3
71.04993	7.5
73.78408	1.8
74.31155	1.8
76.31911	1.9
79.05500	20.6
81.03424	100.0
81.07059	35.6
83.04983	12.6
83.08620	27.0
85.02913	40.4
85.06538	2.1
89.90726	1.9
91.05487	30.7
93.07043	26.1
95.04977	34.8
95.08613	17.5
97.02878	5.7
97.06553	5.1
97.10168	4.8
98.97590	2.5
105.07037	31.0
107.04961	8.4
107.08596	15.2
107.70570	2.0
109.06527	6.3
109.10168	9.4
111.04463	3.8
111.08092	15.9
113.06030	5.1
119.08586	20.1
121.06562	2.2
121.10157	20.5
123.08082	3.5
123.11732	3.4
129.07016	9.9
130.05437	1.8
131.08586	15.2
133.06512	3.0
133.10156	9.0
135.08058	3.3
137.09622	2.4
142.07837	3.1
143.08578	4.8
145.10144	7.8
147.08089	3.2
147.11673	20.3
149.09605	5.6
157.10141	22.7
159.08163	1.8
159.11678	6.2
161.09563	2.0
165.12747	5.7
169.10164	3.2
171.11671	3.7
173.13266	4.2
175.11206	19.1
177.16403	2.3
183.11713	3.8
187.14888	2.3
193.12256	86.4
199.14874	4.5
211.11336	4.6
211.13303	49.2
211.15257	3.4
225.16264	2.3
242.05804	4.5
253.08606	4.0
257.19122	4.2
267.15704	13.6
270.05228	3.5
285.07642	29.2
285.16739	77.4
285.29672	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03951	3.7
55.01882	1.8
55.05513	7.6
57.03437	6.9
65.03967	0.8
67.05508	12.0
69.03427	2.9
69.07062	2.2
70.70486	2.1
71.04999	2.4
75.04477	0.7
79.05493	9.7
81.03421	100.0
81.07061	10.3
81.33615	0.7
83.04994	4.8
83.08622	20.7
83.54941	0.7
85.02911	5.7
91.04933	0.5
91.05486	14.0
93.07054	5.3
95.04969	26.0
95.08616	2.7
97.02907	2.2
97.06539	1.6
97.10169	1.3
98.80386	0.8
99.08051	0.9
105.07029	10.6
106.19827	0.7
107.04953	5.5
107.08600	2.8
109.06512	2.9
109.07266	0.7
109.10181	1.0
109.72614	0.7
111.04489	1.3
111.08083	10.9
117.07022	1.1
119.08594	10.0
121.06529	1.5
121.10149	3.5
121.10995	0.7
123.08063	1.3
123.11674	0.9
128.06248	0.9
129.07022	7.1
131.08585	6.8
133.06474	2.4
133.10109	4.3
137.09647	1.2
142.07811	2.1
145.10217	0.9
147.08080	2.8
147.11690	8.8
149.09624	4.6
157.10146	10.9
165.12828	2.3
175.11208	13.9
193.12253	54.7
211.13341	9.3
267.15909	15.1
285.16913	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.49337	1.9
50.61778	1.8
51.40104	2.1
53.03940	3.9
54.02902	1.8
55.01859	4.5
55.05516	23.9
57.03438	42.3
59.04990	2.6
67.05508	37.8
69.03429	4.7
69.07059	8.9
70.51282	5.4
71.04993	9.7
78.41932	2.1
79.01538	1.9
79.05073	3.3
79.05495	40.7
81.03421	86.4
81.07052	43.2
83.04974	16.3
83.08622	25.9
85.02908	69.7
85.06535	3.3
86.76199	2.0
87.04442	2.1
91.05484	42.7
93.07041	21.8
95.01321	2.2
95.04970	32.8
95.08626	15.0
97.02895	4.1
97.06521	6.4
97.10177	3.6
105.07040	36.4
107.04958	8.3
107.08591	10.7
109.06525	9.3
109.10145	5.3
111.04457	3.0
111.08103	18.5
113.05982	5.5
117.07044	3.4
119.08591	29.0
121.06478	3.0
121.10154	14.7
123.08063	4.6
123.11703	3.7
129.07025	16.7
131.08591	15.2
133.06444	3.8
133.10130	18.1
135.11743	2.1
135.98160	2.3
142.07780	4.6
145.10120	4.1
147.08040	5.8
147.11691	27.7
149.09576	8.7
157.10130	18.8
165.12794	6.9
175.07605	2.1
175.11208	26.6
193.12250	82.9
195.10005	4.1
209.87024	2.2
211.13287	56.9
256.84406	2.1
267.15958	9.3
285.03909	2.6
285.07538	2.8
285.16971	100.0
285.21918	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03946	2.7
55.01871	1.8
55.05310	0.7
55.05516	7.1
57.03246	0.7
57.03441	7.8
58.35314	0.7
61.79268	0.8
67.05509	12.4
69.03423	2.8
69.07068	2.6
69.31833	5.1
69.32247	2.1
71.05003	2.2
73.74725	0.9
79.05499	13.1
81.03425	100.0
81.07069	11.6
83.04979	5.7
83.08621	22.5
85.02907	10.3
91.05486	14.9
93.07053	7.1
95.04977	26.4
95.08627	3.4
97.02917	2.5
97.06532	1.5
97.10149	1.5
105.07041	12.8
105.07712	1.3
107.04974	6.3
107.08585	2.4
109.06536	2.5
109.10133	1.0
111.04501	1.4
111.08085	11.8
115.05471	1.5
117.07007	0.9
119.08585	9.8
119.90515	1.0
121.06499	1.4
121.10151	4.2
127.75606	0.8
129.07022	8.1
131.08578	6.7
133.06488	2.3
133.10132	3.8
137.09642	1.7
142.07813	2.5
147.08066	2.3
147.11705	8.4
149.09662	4.1
157.10121	8.4
165.12784	2.2
175.11192	13.5
193.12254	57.6
211.13289	11.1
253.03688	2.2
258.95648	0.9
267.15915	14.4
285.16907	12.1
287.05515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03937	3.6
55.01859	4.2
55.05516	19.2
56.96585	1.1
57.03440	33.5
59.04977	1.2
65.03941	1.1
67.05505	31.2
69.03414	4.3
69.07072	8.6
69.36983	4.5
69.37402	3.4
71.04990	8.3
79.05495	32.7
81.03420	100.0
81.07058	39.6
83.04984	14.5
83.08164	2.1
83.08624	34.0
85.02908	54.6
85.06531	1.7
89.28618	1.0
91.05486	35.8
93.07044	21.0
95.04372	2.2
95.04972	35.3
95.08609	15.0
97.02880	4.3
97.06525	4.4
97.10173	2.8
99.08021	1.4
105.07034	30.0
107.04942	6.5
107.08584	8.4
109.06522	6.6
109.10157	3.6
111.04424	4.1
111.08085	19.0
113.06021	5.9
115.05430	1.3
117.07012	3.0
119.04914	1.1
119.08586	25.8
121.06432	1.4
121.10141	13.7
123.08063	3.9
123.11704	2.2
128.06197	1.3
129.07004	14.4
131.08562	15.6
133.06485	3.5
133.10139	13.1
137.09639	2.3
142.07771	3.6
145.10110	2.4
147.08052	3.0
147.11700	23.9
149.09607	9.1
151.11133	1.0
157.10138	19.7
159.62955	1.1
163.11118	1.3
165.12764	4.0
175.11201	21.8
193.12248	89.2
211.13292	54.6
267.15918	14.8
285.16971	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03936	2.3
55.01852	1.8
55.05517	7.0
57.03434	8.1
59.47616	0.7
60.97002	0.8
67.05506	13.3
69.03406	2.5
69.07055	2.2
70.58826	2.7
71.04993	1.2
79.05489	10.1
81.03420	100.0
81.07053	12.6
83.04990	5.7
83.08160	1.5
83.08620	22.3
85.02897	7.4
91.05489	15.0
93.07049	7.2
95.04378	1.7
95.04971	26.9
95.08603	3.8
97.02883	3.6
97.06533	1.5
97.10136	1.3
98.20879	1.0
104.09003	0.9
105.07040	10.7
107.04937	5.2
107.08581	3.1
109.06514	3.1
109.10171	1.9
111.04426	1.7
111.08096	12.1
115.05428	1.1
119.08586	9.9
121.06505	1.9
121.10185	4.2
121.10936	0.9
123.08086	1.6
123.11726	0.9
129.07008	7.1
131.08601	6.1
133.06490	3.8
133.10149	3.9
137.09610	1.5
141.65640	0.9
142.07796	2.2
145.10124	1.2
147.08051	2.8
147.11710	7.4
149.09660	3.9
157.10146	10.8
165.12714	1.9
175.11182	11.2
193.12253	57.5
211.13303	11.4
267.15945	18.6
267.18536	0.7
285.03870	2.7
285.16943	11.2
295.98053	1.0
296.81482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03953	3.2
53.69630	1.6
55.01867	3.4
55.05518	16.7
57.03156	1.7
57.03440	29.3
59.05001	1.5
66.76489	1.6
67.05193	1.9
67.05510	28.0
68.49372	1.4
69.03412	6.4
69.07077	7.2
69.41690	11.9
71.04985	6.6
79.05498	25.5
81.03422	100.0
81.07059	27.9
83.04982	12.3
83.08148	1.9
83.08628	27.2
85.02909	48.6
85.06540	2.3
91.05488	34.7
93.06569	1.6
93.07056	18.6
95.04976	32.2
95.08611	12.4
97.02899	2.7
97.06526	4.2
97.10159	2.9
98.21481	2.3
105.07032	20.8
107.04985	7.4
107.08621	7.8
109.06519	4.4
109.10151	4.3
111.04439	4.3
111.08079	14.7
113.05996	2.3
117.07040	1.9
118.72894	1.4
119.08589	22.0
121.06485	2.0
121.10141	11.7
123.08101	3.3
123.11707	3.6
125.09698	1.5
129.07034	10.6
131.08574	13.6
133.10152	11.8
137.09641	1.8
142.07790	3.6
145.10010	1.5
147.08040	4.0
147.11691	17.7
149.09613	7.2
151.43852	1.5
157.10146	15.2
165.12776	3.6
175.11208	23.2
193.12256	80.6
211.13306	49.5
229.14368	1.7
267.15961	13.5
285.03961	4.6
285.16968	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.17
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03943	4.2
55.01879	3.1
55.05272	2.2
55.05518	24.2
56.96566	12.9
57.03446	21.6
61.02908	2.5
62.53253	2.1
63.00055	3.1
65.32743	1.9
67.05508	36.5
69.03413	6.7
69.07073	12.9
69.23996	8.6
69.24419	11.1
71.04980	6.6
73.02937	2.6
75.04479	2.1
79.05497	28.8
81.03429	100.0
81.07066	37.9
83.04994	18.1
83.08626	28.5
85.02914	44.6
85.06528	3.6
91.05494	33.6
93.07033	20.7
95.04969	37.5
95.08606	14.7
97.02894	6.7
97.06530	6.5
97.10149	5.3
98.52438	2.2
98.97598	16.2
98.98179	2.6
98.98464	2.7
105.07040	29.8
107.04930	7.4
107.08613	11.2
109.02931	2.9
109.06499	5.1
109.10155	9.2
111.04430	3.7
111.08079	16.6
112.99102	2.9
113.05996	4.0
114.31786	2.0
115.05434	3.7
116.98605	6.1
119.08598	25.2
121.10141	16.3
123.08057	4.8
123.11696	4.6
129.07007	12.7
131.00146	11.9
131.08574	11.9
133.06494	5.1
133.10167	12.9
137.05978	2.8
137.09634	3.1
142.07748	5.2
147.03105	3.8
147.08038	4.1
147.11710	22.8
149.01244	19.0
149.09631	4.2
156.03625	7.9
157.10088	16.4
158.99666	5.1
159.11604	2.7
165.12747	4.7
167.02249	4.3
167.54468	3.4
172.95358	2.4
173.13315	2.7
175.11220	19.9
177.00691	5.1
191.02217	3.0
193.12251	88.5
204.10875	4.4
210.21434	2.2
211.13290	58.2
224.08087	2.6
242.05719	6.0
243.08871	4.0
244.09557	5.6
267.15891	21.7
270.05331	4.1
284.62949	4.2
285.07611	25.1
285.10403	4.7
285.13577	31.5
285.16971	83.8
285.21750	3.7
285.63721	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03941	4.0
54.28536	1.6
55.01878	4.9
55.05509	19.1
56.96577	4.0
57.03441	29.7
61.02934	3.2
63.00038	2.0
67.05183	2.8
67.05509	31.6
69.03423	5.8
69.07060	14.3
70.06586	1.6
71.05005	8.4
71.05333	1.5
71.13038	1.9
73.02919	2.9
75.04480	1.9
77.00912	2.0
79.05496	25.4
81.03420	100.0
81.07054	41.1
83.04977	16.6
83.08618	31.6
85.02907	51.3
91.05479	27.7
93.07055	22.5
95.02005	1.7
95.04971	35.7
95.08604	15.3
97.02894	9.9
97.06533	20.3
97.10166	5.8
98.97610	5.0
101.00857	1.6
105.07043	23.6
107.04956	6.2
107.08602	14.9
109.06521	6.6
109.10136	5.9
111.04464	2.2
111.08092	19.2
113.05999	3.8
115.05371	1.7
116.98620	3.1
119.01895	1.7
119.08591	23.1
121.06554	3.6
121.10139	13.4
123.08100	2.3
123.11694	4.6
125.09639	2.2
129.07016	12.2
129.36778	1.7
131.01945	2.3
131.08601	14.1
133.03456	7.0
133.06506	3.1
133.10159	13.0
135.11694	2.9
142.07802	3.3
143.01889	3.2
143.08507	2.2
145.10141	4.6
147.08044	2.8
147.11697	23.0
149.09644	5.8
157.10130	15.1
159.11674	2.2
161.02936	3.5
161.06021	2.1
163.07796	3.0
164.08598	1.8
165.12766	6.9
175.04472	2.1
175.11217	20.5
189.09154	4.2
193.12250	88.3
198.22668	1.5
199.07581	3.7
201.06123	1.9
204.11653	2.1
211.13300	64.6
211.15302	3.4
215.11116	2.0
229.07863	2.4
229.09818	10.5
229.14346	2.0
236.10835	7.2
236.61023	2.7
239.05840	1.8
242.05676	2.8
243.06477	5.1
249.14912	2.1
251.11212	2.0
253.08594	1.7
261.39328	1.6
267.15900	14.2
269.12445	2.8
270.05432	2.0
285.07587	15.0
285.10519	5.2
285.16986	85.9
285.21918	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.66912	0.6
53.03945	3.3
55.01869	2.0
55.05515	6.5
56.83096	0.7
56.96572	4.3
57.03442	6.1
61.50999	0.6
65.03928	1.1
65.76057	0.6
67.05511	11.4
69.03436	2.8
69.07079	3.0
69.71413	4.0
71.05002	4.2
79.05500	11.7
81.03424	100.0
81.07071	10.2
83.04977	7.2
83.08624	21.4
85.02908	6.9
85.06569	0.8
87.04437	0.6
91.05487	13.5
93.07050	8.1
95.01340	1.1
95.04974	27.3
95.08620	3.6
97.02892	1.7
97.06551	1.4
97.10206	1.1
98.21518	1.1
98.38461	0.6
98.97594	1.6
105.07036	10.7
107.04961	5.8
107.08614	3.5
109.06548	3.4
109.10178	1.7
111.04461	2.5
111.08078	10.4
112.99113	0.8
113.06026	0.9
115.05468	1.2
117.07050	1.1
119.08593	10.5
121.06503	1.5
121.10154	4.6
123.08072	0.7
123.11621	0.7
124.01727	0.6
128.06314	0.8
129.05489	1.8
129.07010	8.1
131.08572	7.6
133.06517	2.9
133.10129	3.7
137.09586	1.5
142.07809	2.6
143.00162	0.8
143.08618	0.8
145.10150	1.7
147.08093	2.3
147.11696	6.6
148.50221	0.6
149.09627	3.8
152.03110	1.5
152.98561	0.6
155.08582	1.3
157.10146	9.1
159.08086	0.8
161.03580	1.2
161.05992	0.9
163.11250	0.7
165.07068	1.7
165.12807	1.9
166.00954	0.9
169.01665	0.7
171.11655	0.9
175.01489	1.0
175.03418	0.7
175.11200	13.7
175.76575	0.7
182.07324	0.9
183.08061	1.0
185.01279	1.9
193.06459	0.9
193.12254	55.9
199.14853	1.7
205.12291	0.7
211.13292	8.0
212.98260	0.7
213.00804	0.7
221.06195	0.8
225.09239	2.6
229.08664	1.7
230.05258	1.2
231.02213	1.4
235.04405	1.0
244.05031	2.8
249.14827	0.8
253.06116	0.7
253.08687	2.7
257.07959	0.6
262.06198	0.8
267.15924	18.0
267.18631	1.2
285.04071	2.3
285.07852	1.2
285.11353	2.7
285.16898	4.1
285.22220	2.1
286.05029	0.7
303.05066	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	284.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04124	1.7
55.05495	2.4
56.96566	11.3
57.03437	6.1
57.07072	2.7
61.01162	2.7
61.02912	6.8
66.31654	1.8
69.03439	13.3
69.07069	17.7
70.06579	4.2
70.14648	7.8
71.04980	1.9
73.02928	1.8
79.05483	2.0
80.05022	3.0
81.03421	5.9
81.07071	2.9
84.08157	3.9
85.02910	63.5
86.09713	2.7
87.08112	100.0
91.03991	2.3
97.02908	16.0
98.97588	11.9
99.04433	2.7
106.03687	1.9
108.98441	1.9
109.02873	6.6
110.97585	2.6
116.98614	5.4
120.08127	2.7
121.02872	4.9
121.94676	2.2
122.03202	4.5
127.03915	20.0
128.98558	2.3
136.06174	2.1
145.04944	21.4
150.07690	2.7
151.03889	2.5
152.05746	12.9
155.00171	3.4
156.14386	2.0
158.99680	2.3
163.05971	4.9
165.38014	1.9
173.01241	2.4
174.02312	2.6
189.00813	3.1
192.03310	4.9
201.00633	2.7
203.07613	3.5
206.99742	1.8
219.01900	4.2
255.67401	2.3
256.16531	4.5
261.02942	3.9
261.05499	12.3
267.14392	3.6
269.08292	2.1
279.06482	10.9
284.11102	2.3
284.29440	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	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.00044	0.2
55.01878	0.2
56.96553	0.9
57.03428	0.4
59.04996	0.3
59.88944	0.2
61.02909	0.3
62.28233	0.2
69.03413	0.6
69.67508	0.8
69.67916	0.4
70.06592	1.1
73.02914	0.4
73.63119	0.2
81.03400	0.3
84.04521	0.3
84.08144	0.6
85.02905	1.3
86.09692	0.3
97.02887	0.6
98.21513	0.2
98.97587	1.9
101.00871	0.8
107.04971	0.3
109.05154	0.4
110.03501	2.5
110.07167	0.4
110.97575	0.2
115.52206	0.2
116.01493	0.2
116.98624	0.8
119.01952	1.3
121.04991	0.2
122.01409	0.3
127.03879	0.3
128.04581	0.5
129.04027	0.3
131.01863	0.5
133.03516	0.2
134.99669	0.3
135.03017	5.6
136.06184	0.8
137.01924	0.2
143.01895	0.7
147.05096	0.3
148.06581	1.4
152.05676	100.0
153.04076	5.2
155.00146	0.5
157.03461	0.3
160.09738	0.2
161.02968	0.7
170.06644	0.4
173.03006	0.6
175.04524	0.2
177.00943	0.6
196.22343	0.2
201.00787	0.5
201.02446	0.3
203.03976	0.5
211.34331	0.2
215.04045	0.2
216.07361	0.3
219.01854	1.4
221.04932	0.2
241.18703	0.2
243.01910	0.9
261.00143	0.3
261.03000	7.5
266.08847	0.2
279.00565	0.4
284.09915	0.8
284.15756	0.2
284.29425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03935	3.5
55.01865	3.5
55.05515	16.7
57.03424	3.7
57.07061	3.7
65.03929	2.8
67.05506	23.5
69.03422	6.7
69.07079	12.7
71.01334	1.5
71.04997	20.4
73.43742	1.2
79.05078	1.8
79.05499	23.0
79.67803	1.2
81.03410	4.2
81.06596	2.2
81.07059	38.3
82.96003	1.3
83.04981	7.3
83.08605	4.4
83.59664	1.2
85.06526	2.4
86.09715	1.4
91.04903	1.6
91.05478	25.9
93.07047	43.9
95.04978	12.4
95.08604	20.9
97.02876	5.8
97.06532	6.5
97.10149	3.6
98.21528	4.1
103.05466	3.1
105.07037	61.4
106.07783	1.5
107.05013	3.2
107.08598	35.5
109.06538	10.4
109.10160	19.2
110.61863	1.4
111.04440	2.5
111.08076	2.8
115.05443	2.6
117.07039	13.6
119.08588	40.0
121.06523	7.3
121.10146	100.0
122.71380	1.4
123.08096	8.7
123.11700	6.6
125.09673	2.1
128.06227	4.5
129.06978	6.4
130.07808	7.8
131.04944	1.4
131.08571	31.9
133.06509	2.0
133.07568	3.2
133.10135	36.0
135.08081	11.0
135.11693	13.1
141.06952	2.5
142.07742	4.2
143.08583	18.9
144.09340	4.7
145.06427	1.8
145.10124	59.2
146.07242	4.9
147.08031	3.6
147.11670	10.4
149.09612	2.6
149.13225	2.3
153.12721	4.3
155.08534	3.3
156.09320	3.7
157.10129	16.1
158.10921	9.4
159.08051	3.8
159.11700	14.3
161.09637	27.3
161.13252	4.1
163.11192	12.4
167.08531	2.6
169.10138	4.9
170.10948	1.8
171.11691	11.8
173.09584	4.0
173.13271	51.4
175.11165	3.5
175.14777	6.0
177.12865	1.5
179.08531	3.4
180.09248	1.4
181.10101	4.6
181.12193	4.0
183.11647	4.3
185.09584	1.6
185.13243	5.9
187.11176	2.7
187.14790	9.4
189.12746	2.6
191.10667	3.1
191.14322	3.9
193.10071	2.3
194.10915	2.5
195.11694	6.0
197.13197	2.9
199.14819	6.1
201.12601	1.4
201.16422	2.3
207.11636	1.4
208.12285	1.5
209.11562	6.4
209.13429	7.9
213.12733	1.8
213.16345	4.2
215.14336	2.0
221.13177	2.2
223.14821	5.5
225.16415	3.1
227.12695	4.2
227.14421	4.1
235.14841	1.8
239.17969	1.8
250.17261	1.6
255.21040	5.2
265.19562	16.7
283.15765	10.7
283.20532	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03934	6.0
55.01852	3.6
55.05508	11.9
57.03433	3.0
57.07052	4.8
61.00262	1.8
64.79106	1.5
67.05501	22.2
69.03429	9.5
69.07076	12.4
71.04996	19.6
71.54757	2.0
76.13390	1.8
79.05493	23.3
81.07054	43.6
82.61792	1.5
83.04965	5.4
83.08619	6.1
85.02889	1.9
85.06524	3.3
88.76951	1.9
91.05476	28.2
93.06482	2.6
93.07046	45.3
95.04967	15.1
95.08064	2.1
95.08608	25.1
97.06533	6.6
97.10146	2.9
103.05478	4.4
105.07029	59.8
106.07781	1.9
107.04929	1.7
107.07872	2.9
107.08594	44.4
109.06519	10.1
109.10160	18.1
111.07985	2.1
115.05430	2.0
117.07021	14.9
119.04932	2.4
119.05987	1.9
119.08580	44.8
121.06493	7.5
121.10143	87.4
123.08073	7.9
123.11681	5.2
125.09634	3.8
128.06203	4.2
129.07011	7.6
130.07816	9.5
131.07605	2.3
131.08572	40.1
133.07570	3.0
133.10124	42.5
135.08076	14.1
135.11685	12.6
137.09589	2.7
141.06989	2.5
142.07750	6.7
143.08562	24.4
144.09354	5.2
145.10121	60.6
146.07298	4.4
147.07993	4.3
147.11714	12.0
149.13269	3.7
155.08516	5.1
156.09338	7.2
157.10126	20.0
158.10924	9.7
159.08052	3.9
159.11711	16.1
161.09616	33.7
161.13255	6.5
163.11169	10.2
167.08540	2.1
169.10124	6.9
170.10861	2.6
171.11676	15.0
173.09712	3.8
173.13269	73.9
175.11211	5.6
175.14792	8.5
179.08546	4.5
180.09305	1.8
181.10080	5.4
183.11769	8.4
185.09665	2.2
185.13214	10.2
187.11153	2.1
187.14809	9.2
189.12717	4.7
191.14275	3.8
193.10089	4.4
194.10922	5.1
195.11691	7.6
197.13248	3.5
199.11226	3.5
199.14853	8.0
201.12775	3.9
201.16359	3.9
207.11598	2.1
208.12505	4.4
209.13281	13.6
210.14124	2.3
211.14745	2.6
213.12802	4.5
213.16420	4.5
215.14340	2.1
221.13271	2.4
223.14812	9.2
225.16403	5.2
227.14383	7.8
232.10867	1.7
235.14799	2.2
239.17967	2.3
241.15846	2.0
250.17259	2.8
251.16493	4.5
255.21075	15.3
257.18625	2.1
265.19565	21.3
283.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03937	5.8
55.01878	25.6
55.05514	33.2
57.03442	31.9
57.07069	3.2
59.05003	5.5
61.17286	1.2
64.84801	1.4
65.03938	2.6
67.05512	31.9
69.03444	5.7
69.07082	10.6
71.01346	1.9
71.04991	8.8
71.11603	2.1
72.08158	1.3
73.02905	1.5
77.40707	1.1
79.05499	37.6
81.03424	26.4
81.07062	35.1
83.01341	16.7
83.04987	42.0
83.08157	1.6
83.08621	23.0
85.02921	9.0
85.06538	3.5
91.05487	24.3
93.07052	49.8
95.04983	12.6
95.08617	20.1
95.95413	1.1
97.02938	6.4
97.03439	1.1
97.06544	15.3
97.10175	3.6
98.97598	2.4
99.04459	6.2
99.08102	1.5
105.07032	17.5
105.96176	1.2
107.04970	18.9
107.08597	26.1
109.02890	1.7
109.06520	9.3
109.10168	7.6
111.04439	20.8
111.08092	7.5
113.06003	1.4
115.05400	1.2
117.07014	12.0
119.08574	15.1
121.02010	2.4
121.02875	46.7
121.06493	6.9
121.10147	17.3
123.08067	11.5
125.05984	3.2
125.09597	1.9
125.28538	1.0
129.07008	3.9
130.07785	2.9
131.08559	6.3
132.24628	1.2
133.06429	1.4
133.10147	4.4
135.08063	4.3
135.10709	2.0
135.11707	34.7
137.09596	2.3
139.03906	3.9
143.08508	1.4
145.06488	2.0
145.09047	1.1
145.10130	31.7
147.08047	5.7
147.11636	2.3
149.09633	3.2
153.12762	40.3
155.08528	3.1
163.11192	52.6
163.12567	2.8
167.07069	2.0
173.09644	10.4
181.12242	24.4
191.10658	12.1
209.11737	16.1
227.12813	33.1
265.06955	2.1
265.18213	2.2
283.15411	100.0
284.16040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05521	0.7
57.03426	0.9
63.64559	0.5
69.07034	0.5
69.21855	4.2
79.05496	1.1
81.03418	0.7
81.07067	1.5
83.04994	0.7
83.08601	1.0
93.07055	1.5
95.08605	1.1
95.25942	0.5
107.04976	0.7
107.08593	0.9
109.11848	0.5
117.06963	0.8
127.84004	0.5
133.76756	0.5
135.11681	1.2
145.10117	1.2
153.12807	0.9
163.11162	2.1
171.54060	0.6
181.12212	0.6
182.78731	0.4
209.11795	0.6
222.84360	0.5
227.12814	1.8
233.11507	3.5
251.11275	0.7
265.14215	1.1
269.12305	3.0
283.15186	100.0
284.15457	0.6
297.16785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03936	5.9
55.01874	26.2
55.05513	39.3
57.03189	3.7
57.03441	37.8
57.07062	8.1
59.04979	7.6
67.05507	23.1
69.07053	10.0
71.04982	7.7
71.55124	4.9
75.97187	2.5
77.48842	3.2
79.05074	3.6
79.05493	38.5
81.03424	20.9
81.07066	37.7
83.01341	20.8
83.04977	27.2
83.08622	23.8
85.02891	6.0
87.72227	2.4
89.06017	10.3
91.05486	22.8
92.39908	2.4
93.07050	47.0
95.04960	12.5
95.08596	21.1
97.06533	10.3
99.04424	6.0
105.07034	19.1
107.04969	15.0
107.08611	28.6
109.06510	8.1
109.10146	6.6
111.04455	9.3
111.08075	3.8
111.11720	3.3
117.07017	10.7
119.08575	18.2
121.06512	7.5
121.10144	23.2
123.08076	15.1
125.06029	2.9
131.08565	7.0
133.08572	5.1
133.10091	3.5
135.08052	3.5
135.11702	32.2
137.09625	4.5
138.46997	2.8
139.07532	4.7
145.10132	32.1
147.08003	3.2
149.09610	2.7
153.12762	8.8
155.08463	3.0
161.13217	3.5
163.11185	52.6
173.09671	8.6
173.13171	3.8
181.12195	11.9
191.10666	8.0
198.80939	2.7
200.45999	2.5
209.11722	22.1
227.12776	17.6
283.15387	100.0
283.20474	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	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80139	0.4
53.03937	1.5
55.01854	0.7
55.05510	0.8
56.96574	0.9
57.03426	1.2
57.07072	0.5
58.85760	0.3
59.36280	0.3
65.03940	2.5
67.05497	1.1
69.03431	5.0
69.07074	0.6
70.06593	1.6
71.01360	0.5
71.04977	0.9
71.53802	0.5
72.08141	0.6
79.05478	0.7
81.03426	6.6
81.07056	1.6
83.04974	1.0
83.08617	0.4
84.04504	0.7
84.08141	1.1
85.02911	6.5
86.09713	1.0
87.04488	0.5
89.05488	0.7
89.06039	13.4
91.05479	1.6
93.07041	1.0
95.04976	5.4
95.08607	0.6
97.02901	2.7
97.06510	0.9
98.97598	1.7
99.04459	1.5
101.06054	0.5
105.07036	0.9
107.08623	0.5
109.02900	2.8
109.06529	0.4
109.10152	0.5
110.07183	0.4
111.04461	1.6
114.61372	0.4
116.98591	0.5
120.08118	1.4
121.02877	100.0
121.10168	0.6
123.04424	1.0
127.03919	1.7
129.10271	0.6
131.08617	0.6
133.08598	6.0
133.10158	0.6
139.03923	9.0
145.10129	0.5
147.04370	1.0
149.05956	0.5
152.05545	0.3
159.99542	0.4
163.11166	0.4
173.09648	0.6
177.09100	0.5
177.11232	1.3
178.07224	0.6
179.07397	0.5
183.11708	0.5
191.10687	0.5
219.01709	0.5
237.00723	1.0
237.02846	1.0
239.14735	0.8
265.07053	4.8
265.14951	0.7
283.08240	2.3
283.11688	1.2
283.17807	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	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.3
55.05516	1.1
56.96579	1.0
57.03445	0.6
57.07081	0.3
59.05011	1.1
61.02923	1.7
67.05513	0.7
69.03431	0.6
69.07055	0.5
70.06583	0.4
70.76887	0.5
71.04998	3.5
72.08157	0.4
73.03799	0.2
74.06139	0.2
77.04994	0.2
79.05502	2.0
81.03389	0.3
81.07059	7.3
83.04976	0.5
83.08608	0.4
84.08150	0.5
85.02888	0.6
86.09724	0.6
87.08109	0.6
89.14427	0.2
91.05500	0.6
93.07043	1.0
95.04985	0.3
95.08616	0.5
97.02894	0.3
97.06527	0.4
98.97585	3.6
99.04490	0.2
99.08088	0.5
105.07043	0.5
107.08620	1.3
109.05119	0.7
109.06519	2.4
109.10143	0.5
110.03535	3.0
110.97593	0.3
112.99144	3.9
113.09644	0.9
116.98640	1.1
118.81860	0.2
119.08602	0.3
120.08091	1.1
121.02889	0.4
121.10157	0.7
125.09647	0.4
128.04572	1.2
131.00183	3.1
131.08531	0.4
133.03351	0.3
133.10100	0.5
134.04623	0.2
134.09660	0.4
135.03032	7.6
135.08084	0.4
136.01459	0.2
138.05470	0.3
145.10106	0.4
147.74559	0.2
149.01244	0.8
149.09579	0.3
152.05685	100.0
153.04079	7.7
153.05965	0.3
153.09076	0.4
158.99678	1.3
161.09616	0.2
165.12723	0.3
166.07253	0.6
169.04451	0.5
173.13261	0.5
174.12796	1.0
175.02812	0.6
177.00670	1.0
178.04942	2.4
185.06857	0.2
186.05420	1.0
187.75081	0.2
193.03870	1.8
205.07990	0.2
208.98926	0.3
210.04102	0.2
211.04869	0.9
214.08568	2.3
214.10519	0.3
220.13370	1.9
223.09045	1.3
232.11890	0.7
235.04898	4.0
248.61737	0.2
250.12949	2.0
253.06056	1.1
282.15604	30.1
295.07022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.92190	0.2
55.05513	0.6
56.96567	0.7
57.03438	0.3
57.07063	0.2
59.05000	0.7
61.02937	0.5
68.02580	0.2
69.03432	0.4
70.06603	0.4
70.84191	0.4
71.04998	8.8
72.08151	0.4
76.35252	0.2
79.05492	0.7
80.05801	0.2
81.07057	3.0
83.04988	0.3
84.04508	0.3
84.08152	0.6
85.02912	0.4
85.06561	0.3
86.09708	0.6
87.08130	0.3
91.05495	1.3
93.07053	0.3
95.04985	0.2
97.02899	0.4
97.03976	0.2
98.97585	1.0
103.05486	0.2
105.07075	0.3
107.04916	0.2
107.08611	0.4
109.05140	0.8
110.03536	2.9
112.99151	0.3
113.09646	3.2
116.98634	0.4
120.04495	0.4
120.08106	1.0
127.03976	0.3
128.04585	1.3
131.00104	0.2
134.04625	0.5
134.09674	0.3
135.02066	0.3
135.03032	3.8
135.11745	0.2
138.05489	0.6
138.09138	0.2
150.05634	0.2
152.05681	100.0
153.04082	6.8
153.05334	0.3
154.02466	0.3
158.99629	0.7
163.20947	0.2
164.11778	0.3
166.07236	0.5
167.05681	0.2
168.06561	0.3
177.00720	0.4
178.04922	1.1
204.57118	0.2
214.06871	0.4
224.12518	0.2
232.11905	0.9
250.12915	1.0
264.14618	0.4
267.50131	0.2
273.10150	0.3
282.15601	13.4
282.21890	0.4
283.15369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
57.03425	18.5
59.61774	5.0
61.02930	100.0
69.03413	17.6
69.52094	4.9
70.81870	4.0
71.04967	7.1
71.53363	7.2
73.02904	13.9
74.06053	4.5
75.54388	4.1
81.03391	4.4
83.04977	11.2
85.02895	45.7
86.03245	4.2
89.03465	4.5
97.02882	15.6
98.03969	10.0
98.97591	13.4
101.00858	6.6
101.05987	13.3
104.03991	8.7
115.02435	15.2
119.01900	10.5
120.06567	5.2
125.04471	10.8
127.03979	17.2
130.95450	4.4
131.01894	7.3
132.03421	17.0
133.03471	42.9
136.07607	5.7
139.04218	9.6
141.03987	11.7
143.01910	7.2
145.04941	11.4
150.07747	9.7
153.03944	22.5
159.05049	28.8
161.05516	17.4
162.04472	11.9
170.06067	31.3
170.56175	6.2
173.02902	7.0
177.06161	34.5
183.05026	75.1
184.63190	3.8
191.03979	6.8
191.53972	9.2
192.05568	33.9
192.55630	6.5
195.07161	25.8
200.04407	5.1
200.14256	4.5
200.54613	5.6
205.04434	10.4
209.08607	4.8
215.00380	5.3
219.07170	10.6
231.46800	5.2
245.05002	23.8
245.32382	4.4
273.04663	26.9
277.07788	18.5
282.22092	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	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53618	0.6
56.96572	8.4
59.54284	0.8
64.87363	0.6
67.05470	0.6
69.07058	1.5
71.08617	0.8
71.95273	2.7
79.02555	0.7
84.24522	0.7
95.08627	1.2
97.10226	1.0
97.49061	0.8
98.97592	100.0
101.94070	0.7
110.80985	0.6
116.98631	60.0
119.01928	2.1
134.09596	1.2
134.99672	24.4
140.00237	1.8
153.00702	2.6
177.00969	1.4
201.00906	1.0
216.29076	0.8
217.01987	0.7
219.02032	7.1
220.02106	1.8
230.69429	0.7
236.98682	2.8
240.98741	2.9
258.99783	48.3
259.99899	0.8
277.00824	66.6
278.01138	1.0
281.98013	1.1
282.01160	1.4
282.22311	1.9
286.14639	0.6
300.02521	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	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53618	0.6
56.96572	8.4
59.54284	0.8
64.87363	0.6
67.05470	0.6
69.07058	1.5
71.08617	0.8
71.95273	2.7
79.02555	0.7
84.24522	0.7
95.08627	1.2
97.10226	1.0
97.49061	0.8
98.97592	100.0
101.94070	0.7
110.80985	0.6
116.98631	60.0
119.01928	2.1
134.09596	1.2
134.99672	24.4
140.00237	1.8
153.00702	2.6
177.00969	1.4
201.00906	1.0
216.29076	0.8
217.01987	0.7
219.02032	7.1
220.02106	1.8
230.69429	0.7
236.98682	2.8
240.98741	2.9
258.99783	48.3
259.99899	0.8
277.00824	66.6
278.01138	1.0
281.98013	1.1
282.01160	1.4
282.22311	1.9
286.14639	0.6
300.02521	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	8.5
55.01870	4.4
55.05516	32.2
57.03447	29.9
65.03933	3.5
67.05511	85.4
68.47406	1.3
69.03432	2.0
69.07077	15.4
70.75140	1.4
71.04992	4.0
73.06558	2.7
73.39995	1.3
73.44415	1.3
74.14374	1.2
79.05500	100.0
79.86834	1.5
81.03426	15.8
81.07063	72.9
83.04988	35.5
83.08627	10.4
85.06522	3.6
91.05489	70.9
93.07050	76.4
95.04975	26.2
95.08613	45.1
97.02869	1.9
97.06519	6.6
97.10169	5.7
98.21550	3.0
99.08072	2.1
105.04522	2.1
105.07039	51.8
107.04982	11.8
107.08604	25.1
109.06532	8.3
109.10165	8.5
111.08110	1.8
115.05413	1.9
117.07039	11.6
119.08592	36.1
121.06521	4.6
121.10159	4.7
123.08080	10.1
123.11710	1.2
125.09627	1.4
128.06224	2.1
129.07031	21.2
131.08551	4.9
133.06505	1.3
133.10129	14.0
135.11726	3.6
141.09132	1.7
143.08556	10.6
145.10123	13.0
147.08002	3.6
147.11699	46.9
159.11682	2.2
161.09645	6.3
161.13272	19.3
171.11710	33.4
189.12766	13.7
207.13835	20.6
222.63907	1.5
271.30652	1.4
281.17496	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	281.2112
Annotation	Juvenile hormone II
Peak:m/z	Relative Intensity
53.03947	6.3
55.01873	5.5
55.05268	1.4
55.05515	19.9
56.96564	2.3
57.03428	4.5
57.07077	2.9
59.04987	3.2
61.02922	3.0
65.03942	2.1
67.05508	74.2
69.03431	11.7
69.07066	22.4
71.01339	3.2
71.04994	50.3
71.54285	1.4
73.06556	2.7
79.05495	94.1
81.03410	5.0
81.07058	74.1
83.04987	7.1
83.08611	9.1
85.02920	4.1
85.06547	9.8
85.10094	1.0
87.04488	1.8
87.08090	0.9
87.23952	1.0
91.03931	1.6
91.05482	65.2
93.07047	100.0
95.04990	9.8
95.08607	57.6
97.06534	32.9
97.10168	6.9
98.97576	4.0
99.08077	3.6
101.05988	1.5
105.04521	2.2
105.07034	30.0
107.04983	6.0
107.08596	60.7
109.06528	6.2
109.10175	14.0
111.04436	3.8
111.08086	24.3
111.11662	1.1
115.05446	1.2
115.07557	2.2
116.98612	2.2
117.07018	25.9
119.04947	1.0
119.07713	1.5
119.08581	36.1
121.06522	3.8
121.10147	58.3
123.08070	6.3
123.11679	3.6
125.09635	24.7
127.07569	1.6
128.06197	1.2
129.05479	2.0
129.07024	7.7
131.08574	26.4
133.10132	31.9
135.08055	30.6
135.11681	18.4
137.09636	11.9
139.11191	4.0
141.09041	1.4
143.08572	8.5
145.10152	7.4
147.06490	2.5
147.08063	2.2
147.11667	6.7
149.02356	1.5
149.09612	4.4
149.13254	2.7
150.02686	3.1
151.02896	2.5
151.11186	9.4
153.09050	1.5
157.10156	8.8
159.11736	2.8
161.09637	3.4
161.13249	2.2
169.12273	1.9
171.11729	4.7
173.13261	7.1
173.97145	1.0
175.11212	2.1
175.14818	11.8
177.12764	5.9
183.13838	1.8
185.13245	2.5
187.11145	2.8
189.12737	1.4
189.16409	8.6
192.91180	1.5
199.14830	21.9
201.16522	1.3
209.15373	1.3
215.16325	1.1
217.15877	16.2
231.13928	1.4
239.04398	1.7
249.14833	2.3
249.18504	28.9
281.17514	3.9
281.21130	62.5
281.26691	5.5
302.20541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.75863	1.3
53.03949	9.8
55.01872	3.9
55.05280	2.5
55.05517	33.5
56.96556	3.7
56.97181	1.5
57.03440	26.9
59.04984	1.8
65.03939	3.4
66.42346	1.5
67.05510	82.7
69.03410	2.3
69.07073	19.2
69.82621	1.2
70.36505	1.4
71.03707	1.6
71.04052	2.6
71.04988	4.1
73.06554	2.3
73.69038	1.4
79.05501	100.0
81.03427	15.5
81.07063	64.0
83.04987	32.7
83.08624	12.8
85.06542	3.1
85.97620	1.5
91.05491	67.6
91.12970	1.3
93.07050	76.9
95.04977	25.0
95.08616	38.1
97.02923	1.9
97.06517	7.4
97.10156	5.5
98.97586	4.4
99.08069	2.5
103.05525	1.7
105.04545	1.5
105.07040	47.7
107.04981	10.2
107.08598	25.8
109.06533	7.9
109.10174	9.8
111.08049	2.0
113.43491	1.4
116.21562	1.4
117.07014	9.8
119.08588	30.1
121.06509	2.7
121.10149	7.4
123.08067	9.8
128.06270	3.1
129.07008	18.8
130.07845	1.8
131.08601	4.7
133.10149	17.5
135.08066	2.2
135.11694	3.2
139.51073	1.4
143.08594	9.3
145.10143	12.6
147.08061	4.3
147.11705	43.3
151.02705	1.8
159.11749	1.8
161.09698	4.4
161.13260	14.6
171.11697	37.4
179.14185	2.0
189.12755	11.0
200.12381	4.2
207.13797	19.3
209.13013	1.9
257.14108	5.6
263.14124	2.0
266.14737	1.6
281.15063	5.4
281.17535	72.5
281.65302	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	9.0
55.01864	6.3
55.05515	34.1
56.96566	2.8
57.03441	28.0
57.07073	2.6
65.03941	4.8
67.05510	86.6
69.03426	2.4
69.07076	19.0
70.04762	3.8
71.04971	3.0
73.06567	2.2
79.05499	100.0
79.20050	1.7
81.03437	13.7
81.06593	3.7
81.07064	68.0
83.04992	38.8
83.08627	9.7
85.06559	2.4
91.04901	3.6
91.05488	73.4
93.07050	84.2
95.04982	24.7
95.08611	42.9
97.02876	2.7
97.06532	7.7
97.10168	5.3
98.20856	2.4
99.08036	1.7
103.05444	2.3
105.04501	3.9
105.07040	52.8
107.04974	12.2
107.08608	29.8
109.06550	8.5
109.10157	8.1
111.08068	3.5
115.05463	3.0
117.07024	11.7
119.08588	28.3
121.06515	5.3
121.10156	7.0
123.08083	12.1
123.43654	1.6
127.07587	2.3
129.07021	20.8
131.08601	3.8
133.10144	13.1
135.11725	3.8
137.09636	2.0
143.08542	9.9
145.10130	15.5
147.08025	4.4
147.11700	44.5
161.09645	6.2
161.13257	20.5
168.05363	1.6
171.11703	39.0
179.14308	1.6
189.12744	15.0
207.13792	18.8
208.36223	1.7
209.85954	1.7
263.12482	11.0
263.16406	2.3
268.67148	1.8
281.10767	3.6
281.13651	32.6
281.17480	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01859	2.9
55.05505	6.8
56.96563	2.8
57.03406	4.9
57.07077	71.9
61.02937	5.3
63.04489	31.0
63.75412	2.2
67.05505	7.9
68.45679	2.2
69.03435	13.6
69.07082	5.3
70.06593	3.9
71.53204	2.3
72.08171	2.6
79.05499	7.1
81.03428	8.6
81.07054	9.0
83.04993	6.6
83.08613	4.3
84.08125	4.7
85.02908	40.7
86.09718	11.2
91.05493	9.2
93.07059	6.0
95.04972	7.7
95.08580	6.9
97.02902	7.2
97.06543	2.5
98.97581	11.1
101.06005	3.4
101.09646	3.7
105.07065	8.3
107.04958	7.6
107.08578	6.9
109.02884	8.5
109.06519	4.3
109.10178	5.1
115.03937	2.8
115.05473	3.3
116.98598	2.9
119.08585	4.9
119.10696	100.0
120.08085	8.3
123.08081	2.9
127.03923	9.0
129.06992	3.7
131.08530	3.3
133.10152	3.4
135.04416	4.2
137.05936	2.5
145.04915	3.5
147.08058	5.1
147.11690	3.3
149.02336	3.4
150.02689	7.6
151.02713	4.2
161.09579	4.8
189.09073	5.5
263.16537	4.5
264.15942	3.8
281.11047	2.7
281.13956	5.0
281.18225	2.4
299.06210	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	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03949	2.0
55.05515	7.0
57.07067	2.0
60.46434	0.6
65.03951	3.3
67.05506	94.0
69.07074	7.9
69.81330	3.2
71.04970	0.9
79.05493	11.2
81.07056	100.0
83.04964	1.1
83.08639	5.1
85.06537	1.1
91.05479	3.8
92.94328	0.7
93.07040	12.2
95.08607	81.4
97.06522	1.3
97.10180	2.5
98.21484	0.8
105.07037	3.0
107.08588	7.5
109.06464	0.8
109.10161	30.2
111.11732	0.8
117.07031	2.1
119.08572	2.0
121.10139	5.7
123.08105	1.7
123.11708	15.6
131.08566	6.7
131.13521	0.7
133.10158	3.0
135.08064	1.0
135.11705	5.8
137.09558	1.0
137.13257	15.3
145.10156	2.6
147.11687	3.3
148.32738	0.7
149.02353	9.4
149.09630	2.6
149.13225	3.8
151.11115	0.9
151.14799	4.8
159.11685	3.5
161.13249	2.1
163.11237	1.4
163.14856	1.5
165.12759	1.0
165.16344	0.8
167.10674	1.5
173.13304	8.1
175.14819	0.8
177.12729	3.0
179.14247	1.6
181.12273	1.9
187.14841	3.2
191.14250	1.9
195.13811	4.2
201.16324	0.9
205.15851	1.2
209.15402	6.2
222.82938	0.8
223.16931	4.6
243.21049	3.0
261.22205	4.2
279.23190	31.4
287.73563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03957	1.0
55.01882	0.6
55.05511	8.5
57.03437	1.1
57.07076	10.4
59.05008	0.4
59.10097	0.4
59.59610	0.3
65.03944	3.4
67.05505	93.7
68.05833	0.4
69.07069	11.0
71.04992	1.5
71.08633	0.9
79.05492	13.0
81.03442	0.4
81.07058	100.0
83.04992	1.1
83.08617	5.8
85.02911	0.4
85.06545	1.8
85.10191	0.6
91.05492	4.7
93.07044	13.2
95.04972	0.8
95.08607	81.3
97.06543	1.9
97.10172	3.9
98.97607	0.5
99.04460	0.4
99.08103	0.9
101.06043	0.6
105.07043	3.7
107.08598	9.3
109.06533	0.9
109.10159	49.7
111.08088	0.6
111.11714	1.6
115.07552	0.5
117.07023	1.6
119.08567	3.4
121.02872	3.5
121.03677	0.4
121.04015	0.3
121.06512	0.6
121.10154	7.9
123.08072	1.3
123.11708	26.8
125.09637	1.1
127.07542	0.5
131.08571	4.7
133.10135	4.0
135.08035	1.2
135.11699	5.1
137.09650	1.0
137.13257	10.5
139.11191	0.8
141.09123	0.4
145.10112	3.5
147.11722	3.3
149.02345	56.9
149.09625	1.6
149.13240	3.1
151.11194	1.2
151.14807	3.2
153.09193	0.6
155.10661	0.6
159.11716	2.7
161.13232	2.2
163.11183	2.2
163.14833	1.7
165.12772	1.7
165.16371	1.0
167.03351	1.0
167.10637	1.1
169.12221	0.5
173.13255	4.2
174.03555	0.4
175.14903	0.7
177.12752	1.3
177.16402	0.9
179.14278	1.1
181.12273	2.1
183.19188	0.4
187.14799	3.8
191.14314	1.4
195.13809	2.9
201.16351	0.8
205.15907	1.2
209.15359	3.5
219.05652	0.6
219.17430	0.6
219.21086	1.2
223.16942	3.7
237.18559	1.7
243.21104	4.7
247.13269	0.6
261.22159	5.8
279.09216	1.0
279.19778	3.7
279.23187	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	279.1705
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
55.05507	0.7
56.96563	0.8
57.07079	6.5
63.61744	0.2
64.19097	0.3
65.03935	0.6
67.05505	1.1
69.03413	0.4
69.07061	0.9
69.87240	0.9
70.06583	0.7
72.08147	0.7
79.05495	0.7
81.07069	1.6
83.04958	0.2
83.08592	0.3
84.08152	0.5
85.02927	0.3
86.09712	7.8
88.03997	0.3
91.05482	1.2
93.07044	2.2
95.04967	0.4
95.08615	1.1
96.98202	0.2
98.21452	0.3
98.97565	1.4
103.04807	0.3
103.05480	5.6
105.07033	0.5
107.08598	0.3
109.10163	0.4
110.07158	0.2
116.01731	0.2
116.98606	0.4
119.08549	0.3
120.08109	100.0
121.02872	2.5
121.03671	0.3
121.06495	0.3
121.08463	0.4
131.04814	0.2
132.10202	3.7
133.10104	0.2
135.08089	0.3
136.07538	0.3
145.10173	0.3
146.06013	0.5
149.02348	50.1
158.99609	0.4
162.02182	0.7
163.07448	0.3
167.03421	0.9
177.00691	0.4
177.05501	0.5
191.08554	0.3
192.97676	0.2
205.08597	0.7
219.08128	0.5
233.16515	3.0
237.02769	0.2
247.07544	0.4
251.10687	1.0
256.40457	0.3
261.11453	0.2
261.15421	0.2
262.11261	0.2
279.09930	1.2
279.13370	0.7
279.17017	6.8
279.23117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
57.07075	2.6
65.03962	0.6
67.05495	0.6
69.38914	1.6
69.39339	1.4
71.73708	0.4
81.07088	0.6
81.43476	0.4
84.08155	0.8
84.58743	0.4
86.09714	100.0
88.04025	0.4
91.05495	0.4
93.07050	1.0
98.97606	0.7
103.05480	3.9
120.08116	78.9
121.02887	0.8
127.91775	0.4
132.10207	1.3
149.02354	17.7
166.08638	9.4
185.07170	0.5
191.35449	0.4
192.17558	0.4
196.65536	0.5
208.28224	0.4
233.16515	2.6
279.17038	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	279.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	10.5
71.44437	5.5
73.02838	3.6
78.25748	3.2
85.02901	4.3
98.97573	30.9
101.00885	7.7
103.03956	14.5
110.97633	4.2
116.98645	13.0
119.01935	8.9
123.48412	3.7
136.94029	23.6
143.01906	5.0
158.99655	12.6
161.02991	7.9
162.11266	100.0
175.92802	3.7
176.55507	3.9
177.00868	8.1
177.02371	4.6
189.02567	3.9
192.28978	3.5
237.02873	3.8
279.04761	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.20232	0.3
55.05509	0.8
56.96571	0.7
57.03420	0.4
57.05806	0.6
57.07078	6.4
58.06598	0.4
60.13787	0.3
65.03939	0.5
67.05505	1.3
69.03437	0.6
69.07069	11.1
69.50271	2.2
70.06627	0.6
79.05505	1.2
79.13924	0.3
81.07053	1.7
84.08144	0.4
85.02919	0.5
86.09708	100.0
87.04502	0.3
87.10078	0.3
91.05489	0.7
93.07052	0.6
95.04967	1.0
95.08620	0.9
97.02908	0.4
98.97582	2.7
103.05466	0.9
105.03394	4.0
105.07015	1.2
107.04980	0.6
107.08627	0.5
109.10162	0.4
110.97528	0.3
111.04430	0.5
112.99139	0.4
113.76157	0.3
116.98604	1.0
117.07031	0.4
119.04945	0.3
119.08594	0.6
120.08112	15.9
121.02873	2.6
121.10137	0.5
123.11717	0.4
135.08095	0.3
136.07588	1.0
143.00218	0.3
145.10152	0.3
146.05980	0.8
147.11662	0.5
149.02348	47.1
158.99670	0.9
162.02231	0.5
166.08647	4.9
167.03401	0.7
173.01285	0.5
177.00763	0.8
189.00729	0.4
205.08635	0.7
211.07355	0.6
215.07013	0.4
219.01712	0.4
220.99854	0.3
223.09569	0.4
233.16492	0.6
242.97940	0.3
249.02750	0.4
251.10385	0.9
261.12097	0.3
262.11197	0.3
278.01663	0.3
279.08578	1.3
279.17078	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	278.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06781	1.7
55.05506	4.4
56.05025	2.9
56.96550	2.4
57.07061	2.7
57.54089	1.6
58.06585	6.5
60.04504	2.3
67.05490	7.0
69.07046	2.5
69.38474	13.0
71.04984	3.3
71.08654	2.2
72.08154	1.6
74.06063	4.3
79.05489	4.8
80.05814	2.1
81.03405	7.0
81.07048	5.7
83.04998	3.2
83.08652	1.7
86.06067	3.3
88.07634	22.5
91.05479	7.5
93.07044	5.2
95.04964	4.0
95.08626	2.3
97.06535	11.8
98.06868	5.7
98.21573	3.5
98.97570	2.1
104.07117	3.5
105.07021	5.8
107.04932	1.8
107.08591	5.3
119.08585	3.1
121.10142	2.7
129.07062	2.5
131.08585	2.2
132.10193	7.2
133.10129	5.4
147.11708	3.6
149.02333	6.0
149.09624	8.0
157.10117	4.2
161.02406	1.9
163.03949	3.2
164.04234	2.9
168.89529	1.6
173.02411	2.5
174.02640	3.3
175.11148	3.5
182.32944	1.7
186.18541	30.9
193.12280	11.7
211.13304	54.0
215.07048	2.5
216.07448	6.3
225.14888	2.8
230.21185	9.3
259.09732	2.6
260.10022	6.6
260.22427	2.1
278.23294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
53.14892	1.7
55.01867	2.5
55.05515	21.3
56.96558	4.4
57.03448	2.8
57.07066	8.7
67.05515	23.6
69.03432	12.5
69.06775	1.9
69.07076	20.1
69.39017	16.5
71.04983	3.7
79.05501	14.2
81.03415	3.5
81.06598	2.2
81.07056	28.6
83.04962	13.2
83.08611	4.9
84.96029	2.4
85.02896	3.4
85.06550	57.8
89.03909	4.1
91.05492	14.3
93.07055	20.2
95.04977	14.2
95.08610	37.2
96.08064	2.2
97.06536	33.2
97.10172	2.5
98.97591	7.7
99.04456	5.4
99.08096	60.8
101.06036	10.1
105.07037	33.3
107.04932	1.9
107.08606	25.6
109.06525	10.8
109.10164	15.6
111.08089	2.3
112.99162	2.9
113.09675	2.2
115.05493	2.1
115.07590	3.2
116.98591	3.5
117.03387	3.8
117.07040	4.5
119.04933	2.3
119.08585	27.7
120.11979	1.9
121.06496	5.6
121.10155	26.2
123.08067	7.5
123.11704	35.9
125.09641	11.3
128.06194	1.9
131.08601	4.5
133.02864	19.7
133.06514	7.9
133.10121	23.4
135.04376	5.6
135.08054	9.6
135.11699	11.7
137.05962	8.5
137.09602	7.5
139.11171	5.3
143.08559	5.4
145.02786	2.9
145.10130	5.5
146.07256	3.0
147.04399	2.1
147.08078	7.4
147.11685	24.3
149.06000	2.2
149.09663	6.6
149.13261	4.7
153.09181	2.3
154.08644	10.8
156.09346	2.6
157.10149	2.6
158.99718	3.5
159.04411	3.6
159.11703	7.2
161.02345	8.3
161.05974	2.5
161.09628	57.3
161.13290	6.3
163.03931	20.9
163.11179	13.4
163.14827	5.5
165.05493	3.7
165.12772	6.4
170.10997	2.1
171.11642	4.6
173.01123	2.1
173.02432	12.1
173.13220	2.6
175.11082	3.0
175.14862	5.9
177.12698	12.3
177.16360	8.1
178.02592	12.4
179.14351	4.0
181.12219	12.4
185.13303	6.6
189.12807	8.5
191.03409	2.8
193.04973	100.0
193.12277	3.7
195.13774	22.8
199.14980	2.9
201.16347	6.8
203.14284	19.2
207.13861	9.7
215.07062	34.1
217.15884	34.9
219.01735	2.6
221.15408	10.5
231.21156	2.9
233.08107	2.9
241.19601	2.9
259.09705	13.3
259.20538	26.5
268.96942	2.3
277.10730	8.9
277.18417	3.8
277.21646	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	4.4
55.01851	3.2
55.05511	15.8
56.96573	8.8
57.03430	2.2
57.07058	7.5
59.05005	3.6
63.20905	1.7
67.05506	27.2
69.03443	10.1
69.06800	1.9
69.07075	20.8
69.89931	6.8
71.05002	8.8
71.08613	2.4
79.05076	2.2
79.05498	23.7
81.03416	8.5
81.07066	47.0
83.04986	12.7
83.08623	11.5
85.06534	9.0
88.43729	1.6
89.29282	1.7
91.05494	18.1
93.07056	46.4
95.04946	8.9
95.08614	30.6
97.06536	23.2
97.10158	4.9
98.97587	3.4
99.08104	2.9
105.07024	21.5
107.04959	5.2
107.08604	37.1
109.06542	12.3
109.10162	34.5
111.08096	11.1
113.09674	10.2
117.07030	4.1
119.08581	27.9
121.06521	5.4
121.10151	47.0
122.07289	2.2
123.08077	8.7
123.11682	16.9
125.09646	6.8
129.07040	2.3
131.08574	7.8
133.06519	2.1
133.10139	39.0
135.08072	5.7
135.11699	25.8
137.09616	15.7
139.11188	7.2
139.89912	1.7
142.07748	2.1
143.08606	4.1
145.10153	11.2
147.08067	4.0
147.11688	13.5
149.02357	21.0
149.09637	9.2
149.13272	10.0
151.11192	23.9
153.12711	2.3
157.10153	7.5
159.11732	7.9
161.02344	2.2
161.09592	4.8
161.13306	9.3
163.03906	9.4
163.11162	3.8
163.14861	3.5
165.12709	4.2
171.11690	4.7
173.02403	3.2
173.13301	3.6
175.11235	5.0
175.14819	19.4
177.12775	2.0
181.32515	1.6
185.13266	6.5
189.12688	4.4
189.16348	2.7
191.03430	4.2
193.15921	4.9
199.14809	3.4
201.16417	9.3
203.14317	8.9
207.13838	2.1
213.08026	6.6
215.07083	6.9
217.15965	2.3
217.19560	3.1
219.17624	2.5
221.15323	2.2
231.09058	7.5
235.16930	5.0
241.19543	5.2
259.09680	11.1
259.17279	3.2
259.20624	17.1
277.08640	3.7
277.11615	2.6
277.14423	4.1
277.18140	9.0
277.21649	100.0
297.75348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03949	2.3
53.14892	1.7
55.01867	2.5
55.05515	21.3
56.96558	4.4
57.03448	2.8
57.07066	8.7
67.05515	23.6
69.03432	12.5
69.06775	1.9
69.07076	20.1
69.39017	16.5
71.04983	3.7
79.05501	14.2
81.03415	3.5
81.06598	2.2
81.07056	28.6
83.04962	13.2
83.08611	4.9
84.96029	2.4
85.02896	3.4
85.06550	57.8
89.03909	4.1
91.05492	14.3
93.07055	20.2
95.04977	14.2
95.08610	37.2
96.08064	2.2
97.06536	33.2
97.10172	2.5
98.97591	7.7
99.04456	5.4
99.08096	60.8
101.06036	10.1
105.07037	33.3
107.04932	1.9
107.08606	25.6
109.06525	10.8
109.10164	15.6
111.08089	2.3
112.99162	2.9
113.09675	2.2
115.05493	2.1
115.07590	3.2
116.98591	3.5
117.03387	3.8
117.07040	4.5
119.04933	2.3
119.08585	27.7
120.11979	1.9
121.06496	5.6
121.10155	26.2
123.08067	7.5
123.11704	35.9
125.09641	11.3
128.06194	1.9
131.08601	4.5
133.02864	19.7
133.06514	7.9
133.10121	23.4
135.04376	5.6
135.08054	9.6
135.11699	11.7
137.05962	8.5
137.09602	7.5
139.11171	5.3
143.08559	5.4
145.02786	2.9
145.10130	5.5
146.07256	3.0
147.04399	2.1
147.08078	7.4
147.11685	24.3
149.06000	2.2
149.09663	6.6
149.13261	4.7
153.09181	2.3
154.08644	10.8
156.09346	2.6
157.10149	2.6
158.99718	3.5
159.04411	3.6
159.11703	7.2
161.02345	8.3
161.05974	2.5
161.09628	57.3
161.13290	6.3
163.03931	20.9
163.11179	13.4
163.14827	5.5
165.05493	3.7
165.12772	6.4
170.10997	2.1
171.11642	4.6
173.01123	2.1
173.02432	12.1
173.13220	2.6
175.11082	3.0
175.14862	5.9
177.12698	12.3
177.16360	8.1
178.02592	12.4
179.14351	4.0
181.12219	12.4
185.13303	6.6
189.12807	8.5
191.03409	2.8
193.04973	100.0
193.12277	3.7
195.13774	22.8
199.14980	2.9
201.16347	6.8
203.14284	19.2
207.13861	9.7
215.07062	34.1
217.15884	34.9
219.01735	2.6
221.15408	10.5
231.21156	2.9
233.08107	2.9
241.19601	2.9
259.09705	13.3
259.20538	26.5
268.96942	2.3
277.10730	8.9
277.18417	3.8
277.21646	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03948	6.2
55.01862	2.9
55.05273	1.3
55.05514	16.1
57.03428	3.4
57.07063	1.9
65.03925	2.5
67.05507	44.8
69.06731	1.3
69.07069	14.8
71.04975	2.4
71.08242	1.1
71.08636	31.6
79.05495	57.9
81.03428	5.4
81.07058	52.1
81.07468	0.7
81.16126	0.8
83.04973	5.6
83.08621	10.5
85.06557	3.8
91.04920	1.0
91.05484	31.1
93.07047	94.8
95.04977	9.8
95.08611	35.9
97.06541	5.2
97.10166	3.5
99.08097	21.5
105.04533	1.3
105.07039	21.7
107.04962	3.4
107.08601	51.9
109.06550	3.7
109.10154	12.2
111.08068	1.0
113.09611	1.1
117.07011	4.1
119.07800	1.2
119.08581	11.5
121.06496	1.8
121.10152	44.5
123.08051	3.5
123.11698	2.5
125.09650	1.2
128.19579	0.9
129.06956	2.3
131.08565	4.7
133.10152	10.7
135.08087	1.1
135.11697	53.8
137.09598	4.5
141.09055	2.5
143.08528	2.9
145.10143	4.4
147.11707	6.5
149.13269	18.5
151.11194	13.2
157.10121	2.3
159.11700	4.7
161.09616	0.9
161.13239	9.0
163.11166	6.6
163.14787	4.3
165.76544	0.9
167.10681	2.2
171.11681	3.0
173.13245	1.8
175.11179	1.0
175.14845	2.1
177.12778	3.3
179.14317	44.7
181.12245	1.5
185.13309	1.9
187.14862	1.2
189.12769	1.4
193.12381	0.9
195.13773	3.0
198.92903	0.8
199.14874	1.5
203.14209	1.0
207.13765	1.7
217.16022	0.9
217.19453	0.8
221.15353	4.9
223.29828	0.9
223.72952	0.8
229.22566	0.9
231.21025	0.8
235.16942	2.8
241.19612	2.5
249.21977	0.9
250.06808	0.9
259.20609	5.3
277.21628	100.0
278.22028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03930	3.4
55.01867	1.2
55.05519	12.9
55.32323	1.0
57.07064	2.9
65.03938	1.2
67.05507	27.8
69.07078	12.3
70.93670	3.1
71.04989	2.1
77.03941	1.4
79.05495	62.0
81.07066	32.2
83.04985	1.6
83.08622	6.8
85.06541	1.7
91.05484	16.4
93.07047	91.3
95.04977	2.8
95.08612	22.1
97.06545	1.1
97.10158	4.5
100.39467	1.2
105.04498	1.9
105.07050	8.7
107.08598	46.1
109.06493	2.3
109.10146	14.0
109.98285	1.1
117.07001	3.5
119.08569	8.4
121.10148	46.0
123.08116	1.3
123.11694	4.1
125.09560	1.2
129.06990	2.3
131.08585	2.8
133.10153	12.4
135.11700	65.7
137.13255	1.7
143.08591	2.2
145.10103	2.3
147.11694	9.2
149.09645	2.3
149.13264	26.4
157.10101	1.9
159.11697	4.7
161.09605	1.4
161.13219	5.1
163.11244	2.9
163.14822	6.8
171.11653	1.8
173.13274	2.7
175.11215	1.3
175.14827	2.7
181.12236	1.6
184.89928	1.1
185.13240	2.1
195.13814	2.0
199.14899	1.8
203.14348	1.1
207.13872	2.3
213.16400	2.6
221.15388	4.8
235.16953	6.0
241.19566	2.3
259.20529	5.8
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02375	1.0
53.03952	5.9
55.01874	5.4
55.05276	1.3
55.05515	19.2
56.05268	0.9
56.96560	2.9
57.03423	1.1
57.07072	5.3
59.05002	1.6
59.12069	0.8
60.55771	0.8
63.09698	0.8
65.03932	1.6
67.05508	40.4
69.03429	1.6
69.07069	17.3
70.06680	3.4
71.05009	4.4
71.08636	4.6
77.03939	1.0
79.05495	63.3
81.03429	1.9
81.07061	41.2
83.04975	3.1
83.08624	8.3
85.02879	1.2
85.06533	2.8
91.04907	1.3
91.05487	32.2
93.07047	90.6
95.04989	6.9
95.08608	27.1
97.06541	4.1
97.10175	4.8
98.97601	0.9
99.08105	4.3
105.04512	2.2
105.07030	18.5
107.04954	1.7
107.08598	47.3
109.06508	4.1
109.10162	15.2
111.08069	2.8
111.11682	1.2
117.06996	4.3
119.06086	0.8
119.08594	15.2
121.06540	1.9
121.10147	36.7
123.08079	2.0
123.11681	3.9
125.09602	1.9
129.07010	2.6
131.00156	1.7
131.08569	5.1
133.06523	1.0
133.10130	15.3
135.08051	2.4
135.11696	43.1
137.09612	3.4
143.08565	2.5
145.10130	6.1
147.03143	1.1
147.04401	1.4
147.08081	1.5
147.11693	9.8
149.01201	1.9
149.09634	2.5
149.13272	19.5
151.11177	4.8
156.03616	2.7
157.10132	3.1
159.11687	5.0
161.09671	1.6
161.13257	7.4
163.11182	4.3
163.14839	6.1
165.12749	1.7
167.10678	1.5
167.54373	1.3
170.93800	1.0
171.11673	3.1
172.95155	1.0
173.13275	1.3
175.11154	2.0
175.14838	3.5
176.81754	1.1
177.12753	2.2
179.10669	2.6
179.14287	1.3
181.12202	1.5
185.13234	3.1
189.12740	2.0
191.14348	1.1
193.12289	1.3
195.13832	1.8
199.14818	3.3
203.14366	1.5
207.13739	2.0
213.07921	1.5
213.16415	1.5
217.15930	1.0
221.15453	2.8
225.05396	1.2
231.17451	1.2
231.21141	1.8
235.16980	5.5
241.19571	4.2
259.17819	1.2
259.20566	7.5
277.13873	4.4
277.18253	5.5
277.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03933	4.2
55.05517	16.4
57.07073	2.0
65.03934	1.5
67.05146	1.8
67.05505	31.6
69.07072	14.1
70.78600	2.5
71.04994	2.2
77.03928	2.7
79.05495	70.7
81.07058	31.7
83.08617	10.2
85.06538	1.4
91.04977	2.3
91.05482	25.1
93.07048	100.0
95.04977	3.8
95.08609	21.6
97.06514	2.3
97.10159	3.6
105.07044	12.5
107.08600	49.4
109.06471	1.8
109.10155	15.3
111.08006	1.5
111.37969	1.6
117.07016	3.4
119.08594	10.4
121.10146	46.3
123.08019	1.5
123.11706	3.7
129.07033	2.0
131.08589	4.1
133.10106	10.0
135.11693	49.6
139.82513	1.6
143.08603	1.6
145.10147	2.5
147.11679	8.4
149.13272	20.8
157.10153	1.6
159.11638	3.4
161.13274	5.1
163.14838	6.5
166.91045	1.4
171.11742	3.9
173.13255	3.1
175.11134	1.9
175.14864	2.4
181.12204	1.7
185.13280	2.6
207.13745	1.8
221.15375	3.1
231.17516	1.6
235.16887	3.8
259.20529	5.0
277.21628	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01855	1.1
55.05506	2.3
56.05037	1.1
56.96567	4.5
57.03440	1.2
57.07080	100.0
58.99586	1.1
63.56667	0.8
65.03938	2.5
67.05513	5.3
69.03436	7.7
69.07047	1.1
69.60312	5.0
70.06248	0.7
70.06588	3.5
71.63454	0.7
72.08167	1.0
73.02929	1.0
79.05486	2.8
81.03404	1.9
81.07042	3.7
83.04985	12.0
84.04491	1.8
84.08136	3.5
85.02927	4.8
85.06553	14.7
86.09702	3.6
87.04510	0.9
91.05479	4.1
92.90821	0.9
93.03399	5.6
93.07050	3.1
95.04992	10.6
95.08659	0.8
95.63038	0.8
97.02900	2.7
98.97607	7.3
101.06023	1.3
102.05538	0.9
103.07574	3.7
105.07035	1.4
107.04953	1.1
107.08604	1.9
107.24563	0.8
110.07177	1.4
111.04455	18.8
112.99146	1.2
115.03951	0.9
116.98612	2.9
120.08119	6.1
120.25189	0.8
121.02863	2.0
123.04416	1.5
127.03896	0.9
129.05493	13.7
129.10283	1.4
130.06563	0.8
131.00186	1.3
132.08153	1.0
134.99686	1.0
135.11691	1.8
136.07558	2.6
139.03899	9.3
143.08659	1.0
144.08139	0.9
147.04337	0.9
147.06528	3.8
149.02318	1.4
151.03888	0.9
157.04996	8.2
158.99683	1.3
160.07645	1.8
162.02109	1.1
163.03917	2.5
175.06004	2.9
179.03386	2.7
179.10782	1.0
186.09206	1.7
188.06895	1.3
231.01660	0.9
231.11314	1.9
235.16930	3.4
259.11761	18.2
260.09155	1.1
277.09085	2.5
277.11957	3.6
277.17972	3.8
277.21429	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36089	0.6
53.03953	2.2
55.01871	1.4
55.05515	2.6
56.05042	1.4
56.96582	1.9
57.03439	1.0
57.07079	100.0
58.06591	0.9
58.99591	1.3
65.03955	1.6
67.05510	6.0
69.03425	6.2
69.07074	1.7
69.56173	4.7
70.06604	3.5
71.05010	0.8
72.08163	1.7
79.05511	2.0
81.03439	1.6
81.07079	2.7
83.04987	12.7
84.04530	2.5
84.08157	2.6
85.02914	4.7
85.06549	13.7
86.09733	2.3
87.04472	1.1
91.05504	2.8
93.03413	5.3
93.07076	2.9
95.01339	1.3
95.04988	9.0
95.08613	1.8
97.02927	1.9
97.06535	0.7
98.09712	0.9
98.97611	2.4
99.04498	1.0
103.07597	3.7
105.07029	1.2
107.04947	1.0
107.08629	1.5
109.10163	0.9
111.04453	17.3
113.04278	0.9
115.03967	1.1
116.07131	1.1
116.98639	0.7
117.07054	0.6
119.01867	0.7
119.08609	1.0
120.08115	3.8
121.02897	2.8
121.10151	1.2
123.04478	2.5
123.08047	0.7
127.03989	1.0
129.05492	14.7
129.06384	0.9
130.06548	0.8
131.01579	0.7
131.04973	1.2
133.10205	0.8
135.08150	0.9
135.11749	1.1
136.07619	1.0
139.03926	8.5
147.04486	2.3
147.06522	3.6
149.02354	0.8
157.04994	8.2
158.99696	0.8
160.11243	1.2
166.51076	0.7
167.03490	2.9
175.06110	2.7
177.05493	1.0
179.99208	0.7
186.09157	1.0
195.10321	0.7
217.08533	0.8
219.01743	0.9
231.11415	2.2
235.17139	2.1
236.10005	0.8
241.13356	1.2
259.11777	18.0
259.14474	1.3
277.08737	1.0
277.11523	1.3
277.15567	2.3
277.18280	1.5
277.21622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31049	0.9
53.03950	0.9
55.01884	0.9
55.05508	3.3
56.05037	2.0
56.96563	2.0
57.03439	1.8
57.07081	100.0
57.75158	1.0
58.99610	1.0
65.03940	2.6
67.05507	7.1
69.03434	6.2
69.07068	2.2
69.38696	1.0
69.70780	4.7
70.06607	7.7
72.08154	2.3
73.02895	1.2
74.06103	2.0
75.99746	0.8
76.02246	1.0
79.05499	3.1
81.03447	1.5
81.07053	3.6
83.04987	11.6
84.04505	2.0
84.08144	3.8
85.02914	7.0
85.06548	14.5
86.09711	3.3
91.05488	2.6
93.03413	4.4
93.07050	3.4
94.06527	0.9
95.04970	10.6
95.08599	2.0
97.02901	3.5
98.09714	1.8
98.21491	1.6
98.97593	4.9
102.05544	1.0
103.07588	3.4
105.03395	1.0
105.07016	2.1
107.04975	11.1
107.08609	2.5
109.10128	0.9
110.07142	1.5
111.04449	16.8
112.99158	1.6
115.03931	1.1
116.01749	1.2
116.98663	1.7
118.06571	3.4
120.08138	1.7
121.02900	1.9
123.04427	4.0
125.09716	1.0
128.98593	1.1
129.05481	11.9
129.10164	0.8
129.11703	0.9
130.06599	1.6
132.08084	3.4
133.06522	1.0
136.07544	0.9
137.06013	1.2
139.03925	7.5
143.08519	1.6
144.08150	2.6
146.06013	7.5
147.04419	2.3
147.06529	3.8
147.07901	1.0
148.76146	0.9
149.02359	1.1
154.06505	1.4
156.08260	1.2
157.04967	6.5
158.99670	1.5
165.05542	1.3
175.06042	2.6
177.00749	1.2
177.05484	2.0
179.03419	1.3
182.06039	3.4
188.07074	10.1
199.05064	1.3
217.06120	2.0
217.08514	1.0
219.01764	1.6
231.11369	1.8
235.07089	1.8
235.16937	1.3
236.56114	1.0
237.02805	0.9
259.11823	16.8
260.09195	3.6
267.59927	0.9
277.08502	3.2
277.12048	3.2
277.17987	2.5
277.21548	1.5
282.60861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
56.40768	6.5
67.27095	5.6
70.16877	26.7
87.88204	6.3
89.32088	5.7
211.72786	6.2
277.03189	100.0
277.06793	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55260	24.2
98.97615	18.5
126.96300	13.2
161.02904	26.6
162.88522	13.8
255.60995	17.5
271.96371	16.1
277.03256	100.0
277.07001	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54749	0.5
56.75576	0.7
56.96557	2.6
69.03391	0.6
70.23623	2.1
70.98124	1.2
70.99856	0.7
72.08152	1.1
82.99830	1.5
85.01398	1.6
85.02901	1.7
86.09727	0.7
97.01385	3.2
97.02888	1.1
98.21459	0.8
98.97578	2.5
101.00881	10.1
103.00623	1.5
103.02416	1.3
110.97547	0.7
111.02946	1.5
112.99146	4.3
113.00865	1.6
113.99409	0.8
115.02435	35.6
119.01923	5.6
120.08101	0.6
121.01672	2.8
124.44514	0.6
128.98656	0.6
129.04004	5.7
131.00232	2.7
131.01924	5.1
133.03474	58.0
136.07533	0.8
140.98393	0.6
141.03979	5.2
143.01831	1.2
145.03473	1.2
147.05046	4.8
149.01256	0.9
151.04526	3.5
155.01935	3.1
156.05022	0.7
156.98184	0.9
157.03436	1.5
158.99673	1.1
159.01428	2.0
159.05038	26.7
159.95419	0.6
161.02933	1.3
165.04025	0.8
169.03444	1.4
173.02956	7.0
174.99103	1.7
175.00690	0.9
175.04521	1.8
177.00908	0.9
177.02460	4.3
177.06085	21.7
183.01407	0.9
183.05060	6.7
185.06602	1.6
187.04535	3.5
189.04240	0.7
189.05905	0.7
193.00157	0.7
195.05418	0.6
195.07153	12.5
200.07573	0.8
201.02458	14.5
201.06079	6.4
205.00206	0.8
205.03738	0.7
211.04485	4.8
215.03995	3.0
217.01921	1.8
219.03517	15.1
229.05589	12.3
231.07170	2.9
233.05022	2.2
235.04796	0.6
236.05341	1.1
241.05666	0.8
245.05145	1.8
247.06647	6.7
259.03317	1.3
259.06650	14.8
259.09238	1.1
277.02982	2.8
277.07697	100.0
278.07962	1.1
295.08789	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	276.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01880	21.7
55.05513	77.3
56.05034	15.7
56.05858	2.9
56.96554	8.3
57.03431	5.9
57.25014	2.5
58.96125	7.7
59.04995	3.2
67.05503	46.2
68.05843	3.1
69.03435	5.1
69.07076	25.3
70.35529	5.6
71.01350	8.2
71.04985	6.4
72.04516	42.2
79.05495	51.1
81.03421	53.2
81.07057	49.2
82.07388	5.4
83.04978	32.0
83.08617	20.4
84.04502	3.1
85.02885	5.0
85.06528	4.0
91.05482	48.2
92.05822	11.0
93.06488	3.6
93.07045	47.0
94.07378	7.0
95.04955	12.5
95.08607	27.3
96.08945	5.2
97.02892	19.6
97.06515	12.9
97.10173	35.9
98.97581	6.1
99.04423	4.1
99.98743	5.5
100.45735	2.6
105.06389	4.1
105.07030	38.1
106.07373	14.2
107.04962	17.4
107.08595	37.4
108.08942	7.3
109.06520	6.5
109.10173	9.2
111.04472	14.6
111.08089	5.5
112.98437	3.1
112.99113	16.5
117.07030	16.9
118.07340	4.0
119.08588	30.3
120.08920	11.6
121.06500	6.2
121.10126	20.5
123.08086	3.5
125.09622	26.7
129.07008	5.8
131.00168	17.3
131.08563	27.5
132.08908	7.5
133.10162	15.4
134.10461	12.7
135.08075	6.4
135.11710	28.9
145.06458	3.4
145.10129	35.8
146.10516	6.7
147.08055	8.6
147.11739	5.5
148.12033	11.3
149.01270	6.0
149.09650	3.5
153.12761	21.6
154.04396	2.8
155.08569	4.2
157.10086	3.0
160.12067	5.5
163.11176	50.3
173.09634	12.5
174.13641	4.0
181.12282	5.3
191.10703	4.1
229.99425	4.6
235.04852	15.6
253.06023	5.5
258.19464	8.5
276.20404	100.0
276.25140	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	276.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.5
56.05033	4.6
56.96572	12.3
57.03426	3.6
58.06589	2.5
60.04515	7.6
61.02910	2.1
63.54003	1.5
67.05489	2.4
69.03431	6.8
69.07066	7.8
69.61908	9.2
70.06598	9.8
71.04992	2.2
72.08155	10.3
72.93791	3.9
73.02917	3.2
74.06077	9.0
75.05615	15.5
81.03411	5.3
83.06122	2.4
83.97153	2.1
84.04510	13.4
84.08151	19.0
85.02911	18.1
85.06559	2.1
86.09717	92.9
86.24393	1.6
87.04471	2.0
87.05602	2.3
88.03957	2.3
90.94816	3.1
91.05453	2.4
93.07047	2.5
96.04488	2.6
97.02897	6.0
97.06544	4.0
98.01222	2.2
98.97598	13.9
100.07609	2.9
101.00883	3.3
102.00986	2.9
102.05564	2.9
106.02859	1.7
106.05014	5.5
110.97582	2.1
112.07586	3.8
112.08721	2.0
112.99146	44.1
112.99943	2.7
114.05505	6.4
116.98625	6.1
118.08658	3.6
119.01903	7.8
120.02032	9.7
120.08096	6.6
121.01630	2.0
124.07584	1.9
127.03931	6.1
127.08803	1.6
128.98608	1.7
129.10251	6.6
130.05022	3.9
130.08643	5.6
130.99210	3.4
131.00186	55.7
131.08121	3.7
132.95819	3.0
133.03456	3.5
134.99709	2.3
136.06219	2.5
136.07591	2.0
136.93079	1.7
137.05984	2.3
142.04846	1.7
143.01877	4.6
143.11810	100.0
144.01985	2.1
144.95831	6.6
145.04944	3.1
145.09695	2.2
146.03575	3.8
147.07646	1.9
149.01233	20.1
150.96933	2.5
154.08586	3.9
154.94157	2.4
156.06575	1.8
158.99657	3.4
159.07675	5.4
161.02924	4.4
162.96902	3.3
170.08153	3.2
171.11290	24.6
172.95226	2.7
173.09245	3.5
173.96077	2.9
174.96877	3.8
175.02800	5.2
175.11975	3.1
177.00760	2.4
178.04897	2.8
180.04245	1.9
185.02953	1.9
186.02896	2.4
186.96881	7.5
187.97621	3.0
188.04678	2.5
193.03862	7.7
195.11273	2.4
204.04172	2.8
211.04819	5.3
216.04228	2.9
222.05171	2.4
235.04909	48.8
251.66187	1.7
252.07521	2.1
253.05930	17.1
258.14572	8.5
265.53476	1.9
275.99326	5.2
276.02469	2.1
276.06436	4.2
276.11444	43.2
276.16296	9.0
277.08926	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.97390	0.4
53.03941	1.4
55.01862	2.1
55.05516	10.6
57.03436	2.2
57.07066	1.1
64.80080	0.4
65.03927	0.8
67.05509	15.9
67.10619	0.5
69.03425	0.6
69.06727	0.8
69.07069	8.7
70.06568	0.5
70.78967	1.3
71.04983	1.8
73.08388	0.5
77.03929	0.5
79.05494	17.6
81.03421	0.9
81.07063	21.3
83.04999	2.4
83.08630	3.6
85.06522	1.2
91.05486	27.5
93.07046	18.4
95.04984	3.0
95.08611	12.0
97.06516	2.2
97.10154	1.0
97.49148	0.5
99.08077	0.6
103.05455	1.2
105.07037	34.8
107.04964	5.4
107.08597	11.0
109.06513	4.6
109.10164	4.8
111.08097	1.1
117.07021	8.6
119.08586	28.0
121.06530	3.5
121.10160	8.2
123.08075	2.8
123.11687	1.7
125.09634	1.3
129.06993	2.4
130.07764	1.0
131.08588	10.5
133.06503	1.5
133.10135	25.6
135.08075	5.7
135.11700	3.9
137.09628	3.1
139.11166	0.6
141.06982	0.6
143.08548	2.9
145.06578	0.5
145.10132	9.4
147.08038	1.8
147.11699	14.8
149.09634	8.1
149.13243	2.0
151.11221	1.2
154.07790	0.6
155.08640	1.1
157.10121	2.4
159.08084	0.9
159.10486	0.6
159.11705	7.3
161.09616	1.4
161.13245	4.2
163.11200	4.3
165.12758	0.5
169.10120	1.4
171.11737	1.6
173.13263	4.4
175.11182	1.9
175.14807	0.8
177.12772	1.5
179.10716	0.7
183.11710	2.2
185.13290	2.7
187.11183	1.6
187.14777	0.9
189.12733	0.7
189.98463	0.5
193.12280	0.6
197.13272	1.8
199.14822	0.5
201.12590	0.5
201.16345	1.3
203.14384	1.3
205.12230	0.7
207.13785	0.6
213.16331	1.1
215.18169	0.6
219.17366	0.9
229.19490	3.1
233.19017	0.6
239.18004	3.9
247.20583	3.8
257.19012	8.0
275.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	1.6
55.01865	2.9
55.05271	0.8
55.05513	10.0
57.03425	2.6
57.07076	3.6
63.72140	0.5
65.03922	0.8
67.05505	13.2
69.03419	0.6
69.05037	0.5
69.06735	0.8
69.07069	11.2
69.68269	1.2
69.68686	2.4
71.04979	2.5
71.08624	2.8
71.62985	0.5
79.05489	23.4
81.03411	1.7
81.06591	0.9
81.07053	14.9
83.04980	3.0
83.08609	3.4
85.06503	1.7
89.06046	0.9
91.05482	24.9
93.07043	20.3
93.07639	0.8
95.04957	3.0
95.08613	12.6
97.06531	3.6
97.10153	1.6
103.05475	1.1
103.23289	0.6
105.04466	0.6
105.07029	32.4
107.04950	19.8
107.08590	12.0
109.06497	1.6
109.10168	4.4
111.08071	0.9
115.05461	0.9
117.07017	6.5
119.08576	23.1
121.06485	2.2
121.10130	8.2
123.08071	1.8
123.11684	1.9
129.07018	1.3
131.08554	9.5
133.10132	24.0
134.30141	0.6
135.08047	14.5
135.11678	2.4
137.09621	1.0
139.11174	1.0
143.08543	1.6
145.10133	7.0
147.08102	0.7
147.11685	9.3
149.09625	6.8
149.13275	0.9
155.08521	1.1
157.10133	1.7
159.11679	5.6
161.09673	0.9
161.13219	2.2
163.11192	1.6
169.10152	1.0
170.41232	0.5
171.11687	1.7
172.95140	0.5
173.13275	3.6
175.14713	0.6
177.12766	0.8
183.11751	0.9
183.13788	1.2
185.13313	0.7
187.11362	0.5
187.13217	1.2
191.14305	1.2
197.13327	1.5
201.14757	0.7
215.14308	0.8
219.13757	1.2
219.17371	0.7
229.19460	0.9
239.17918	2.0
247.20630	2.7
257.18982	6.0
275.20056	100.0
275.23834	4.6
275.27679	1.9
276.20337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.66862	0.5
51.02385	0.7
53.03943	2.1
55.01876	5.1
55.05516	14.1
57.03436	1.1
57.07083	2.2
59.04995	0.6
65.03952	1.2
67.05511	24.0
69.03432	0.8
69.06729	0.7
69.07073	9.3
69.46035	0.9
69.46446	3.0
71.04988	2.2
71.08633	0.9
73.06551	0.6
79.05498	23.2
81.03417	5.2
81.07060	23.3
83.04974	3.2
83.08620	5.8
85.06530	2.1
91.05488	35.3
93.07050	21.5
93.07552	0.4
95.04986	5.4
95.08611	19.2
97.06547	2.7
97.10168	2.1
99.08083	0.7
103.05470	1.7
104.06222	0.6
105.07038	39.6
107.04958	8.9
107.08602	15.3
109.06537	3.5
109.10172	8.4
111.04449	0.5
111.08076	1.8
113.06010	0.5
115.05464	0.7
117.07027	10.0
118.67313	0.5
119.06132	0.7
119.08591	27.5
120.41216	0.5
121.06516	7.3
121.10149	8.8
123.04462	2.1
123.08079	6.7
123.11708	1.5
125.09648	1.9
129.07013	2.6
130.07787	0.7
131.08575	14.9
132.09276	0.6
133.06493	1.8
133.10139	28.6
135.08064	4.0
135.11710	4.5
137.09634	4.6
139.11183	0.7
141.07019	1.1
141.09114	0.8
143.08563	2.2
144.09351	0.5
145.06520	1.0
145.10139	10.6
147.08072	2.7
147.11702	14.9
149.09636	10.0
149.13272	2.2
151.11212	2.8
155.08563	1.3
157.10149	2.4
159.08098	0.7
159.11705	8.4
161.09660	1.9
161.13286	5.2
163.11194	4.8
163.14832	1.0
165.09151	3.6
165.12616	1.0
169.10077	2.3
171.11736	2.1
173.09637	0.9
173.13290	6.6
175.11209	2.0
175.14880	1.1
177.12737	3.3
177.42781	0.4
179.10759	0.9
183.11708	1.7
185.13292	0.9
187.11191	1.6
187.14803	1.6
189.12811	1.7
191.10670	0.6
191.14308	1.9
193.12332	1.1
197.13280	2.1
199.15085	0.5
201.12788	1.9
203.14351	0.5
205.12138	0.8
211.14793	0.4
215.14372	0.9
215.17917	1.1
219.13895	0.7
229.19514	3.5
233.15379	1.1
239.17961	3.1
247.20612	5.4
257.19022	9.5
275.20084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.38395	0.5
53.03951	2.6
55.01873	11.0
55.05514	17.4
57.03426	1.6
57.07074	0.8
59.04994	0.6
65.03934	1.3
67.05507	22.5
69.06728	0.9
69.07070	12.1
69.27016	3.9
69.27427	1.5
71.04982	2.1
77.03934	0.8
79.05494	27.5
81.03410	1.3
81.07057	28.7
83.04980	3.2
83.08627	5.8
85.06525	1.7
91.05485	40.8
93.07046	21.3
95.01326	1.4
95.04985	2.7
95.08610	13.4
95.38548	0.5
97.06531	14.8
97.10154	2.3
103.05466	1.3
104.06238	0.8
105.07034	69.2
107.04952	10.9
107.08595	15.9
109.06514	2.0
109.10167	8.5
109.20388	0.5
111.04477	0.5
111.08070	1.5
113.31113	0.5
115.05470	1.5
117.07018	11.4
118.07803	1.2
119.08587	34.1
121.06519	1.7
121.10147	8.0
123.08053	2.4
123.11694	1.7
125.09629	2.2
129.07002	1.9
131.08572	15.1
133.10136	40.9
135.08073	3.3
135.11670	3.2
137.09598	1.9
139.07523	0.7
143.08568	2.2
145.10124	11.9
147.08069	0.6
147.11693	19.1
149.09622	19.1
149.13249	1.4
151.11209	1.0
153.09129	0.8
157.10114	2.3
159.08095	0.6
159.11700	6.9
161.09688	1.2
161.13251	4.7
163.11203	2.4
163.14809	0.7
165.09119	1.9
165.30107	0.5
169.10149	1.6
169.12242	0.7
171.11711	2.4
173.13278	4.0
175.11137	0.7
177.12778	1.5
179.14297	2.0
183.11652	1.2
187.11220	1.0
187.13300	0.7
187.14854	1.1
197.13293	1.7
201.12796	1.2
215.17966	1.4
219.17493	2.8
229.15895	0.7
229.19466	3.9
233.15416	1.1
239.17915	2.8
247.20541	2.7
257.19000	9.9
275.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.68691	1.2
53.03929	2.2
55.01860	2.9
55.05303	0.9
55.05512	9.8
57.03436	2.0
57.07082	1.3
59.05007	1.2
67.05506	9.7
69.03442	1.3
69.07065	17.5
69.28845	9.1
71.04986	3.7
79.05493	11.3
81.07057	12.5
83.04969	2.5
83.08617	5.6
85.06530	4.7
91.05480	17.0
93.07040	18.5
95.04955	3.7
95.08611	14.8
97.06513	2.9
97.10191	1.4
97.28547	1.0
103.05453	1.1
105.06316	1.3
105.07030	24.3
107.04926	6.2
107.08597	14.1
109.06511	5.1
109.10173	9.7
111.08083	14.9
111.11679	1.7
113.09622	4.8
115.05447	1.2
117.07028	5.6
119.08589	21.0
121.06493	5.1
121.10139	11.5
122.07262	3.5
123.08071	17.1
123.11695	2.9
129.07002	2.0
131.08565	17.3
133.06499	1.0
133.10139	17.9
135.08055	28.0
135.11702	5.3
137.09624	3.2
137.38664	1.0
139.11179	4.7
143.08553	4.4
144.09282	1.3
145.10123	13.6
147.08046	3.0
147.11655	12.6
149.09605	9.8
156.09375	3.6
157.10059	5.3
158.97221	1.6
159.08098	1.1
159.11702	12.6
161.09619	3.9
161.13287	3.3
163.11142	6.7
165.12753	2.4
169.10083	1.3
170.10864	1.4
171.10272	2.3
171.11687	25.6
173.09560	1.0
173.13261	8.6
175.11217	2.1
175.14818	4.0
176.11983	4.7
177.12770	1.8
181.12225	17.2
183.11682	4.5
184.12543	1.5
185.13292	1.9
187.11240	1.7
187.14850	1.3
189.12787	7.3
189.16302	1.4
191.14307	100.0
197.13177	2.2
199.14818	8.2
213.16393	3.0
214.99867	3.3
215.14398	1.4
215.17990	5.6
217.15883	10.1
229.19513	2.0
231.17473	2.2
239.17972	5.8
242.09697	1.2
247.20380	1.5
252.41820	1.2
257.19025	20.4
271.02530	1.3
275.20065	98.4
275.27786	3.1
287.71722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.23003	0.6
53.03935	1.9
53.33615	0.5
55.01874	3.4
55.05513	18.1
55.69812	0.5
57.03431	1.3
59.04992	1.1
65.03946	1.2
67.05507	22.7
69.07067	6.6
69.75410	2.8
71.04982	1.6
77.03929	1.0
79.05495	33.2
81.03412	0.9
81.06585	1.1
81.07056	16.8
83.04984	1.8
83.08631	4.9
85.06544	1.3
91.05483	27.4
93.07047	20.1
94.92567	0.5
95.04949	2.9
95.08606	8.9
97.06553	1.4
97.10168	3.9
103.05458	0.7
105.07034	34.4
107.04217	0.8
107.04960	20.8
107.08593	23.3
109.06525	1.5
109.10161	14.0
109.10925	0.6
111.08051	1.1
115.05495	1.0
117.07015	9.9
119.08584	23.9
121.06503	2.4
121.10149	8.9
123.08060	1.6
123.11692	2.7
125.09651	4.4
129.06990	2.1
131.08562	11.2
133.06499	1.1
133.10136	26.9
135.08049	4.1
135.11693	2.8
137.09596	1.5
143.08543	1.8
145.10132	11.1
147.08025	1.6
147.11699	17.3
149.09622	42.1
149.13234	1.1
151.11136	0.8
153.09120	1.8
155.08545	1.5
155.10663	2.3
157.10123	1.9
159.11696	8.2
161.13293	5.1
163.11211	2.1
167.10532	0.7
169.10175	1.3
169.12221	1.8
171.10350	0.9
171.11705	2.4
173.11707	2.6
173.13269	3.9
175.11299	1.1
175.14816	1.1
177.12755	1.2
179.10631	0.7
183.11713	1.7
187.11221	1.9
187.13286	1.6
187.14821	1.2
189.12619	1.1
193.12083	0.7
197.13228	1.9
205.12276	0.6
215.14270	0.5
215.17944	1.9
219.13783	0.8
229.15887	0.7
229.19534	6.7
233.15340	1.5
239.17928	3.6
247.20618	2.8
257.19012	16.3
275.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	2.7
55.01869	1.9
55.05272	1.0
55.05515	15.3
61.16814	0.7
65.03928	1.3
67.05181	1.0
67.05508	14.8
69.07073	8.8
69.86996	1.6
69.87406	2.3
71.04984	0.9
73.06575	0.8
73.54321	0.6
75.70174	0.8
77.49044	0.6
79.05495	15.5
81.07059	17.7
83.04978	1.6
83.08624	3.8
83.84270	0.6
85.06546	1.1
85.55186	0.8
91.05486	48.0
93.07046	16.0
95.04984	1.6
95.08619	10.6
97.06532	1.6
97.10152	2.7
98.21404	1.3
103.05457	1.5
105.07037	64.6
107.04976	1.9
107.08592	9.7
109.06493	1.4
109.10173	4.8
115.05436	1.1
117.07015	10.9
119.08588	31.7
121.06492	2.2
121.10156	5.5
123.11708	0.7
125.09577	0.7
129.06987	2.9
131.07599	1.2
131.08583	17.0
133.06453	1.2
133.10139	42.6
135.08041	1.2
135.11694	2.9
137.09607	0.9
141.07013	1.1
143.08556	2.3
145.10139	14.2
146.10953	0.8
147.08075	0.9
147.11697	22.1
149.09637	4.9
155.08534	1.3
157.10110	3.1
159.11691	8.7
159.12892	1.0
161.09660	1.2
161.13251	3.8
163.11171	1.8
163.14975	0.6
169.10130	2.1
171.11732	3.3
173.13263	4.9
175.11226	1.5
177.12801	1.0
179.10654	0.7
183.11696	2.3
185.13358	1.2
189.12732	1.0
197.13271	2.9
211.14766	1.1
219.13799	0.7
229.19426	1.4
233.15369	1.2
233.19038	0.8
234.28540	0.9
239.17987	5.7
257.19073	9.4
275.20074	100.0
275.27750	4.4
295.57712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	0.9
55.01872	1.7
55.05511	12.1
59.05000	1.1
60.77897	0.7
67.05186	1.0
67.05511	13.1
67.76584	0.8
68.55576	0.8
69.07070	8.1
70.70567	1.3
71.04981	1.9
72.33995	0.7
79.05499	11.6
81.07060	13.8
81.21006	0.7
83.04970	2.1
83.08610	5.2
85.06560	0.8
89.73620	0.7
91.05486	34.1
93.07042	13.7
95.04968	1.0
95.08611	9.6
97.06521	1.4
97.10173	2.1
103.05451	1.1
104.66236	0.7
105.07037	58.4
107.04927	1.6
107.08587	11.9
109.06517	1.0
109.10184	5.1
111.08044	1.1
111.99970	1.5
115.05357	0.7
117.07039	7.7
119.08585	31.6
121.00480	2.5
121.06487	1.8
121.10142	4.2
123.08121	1.0
125.09650	1.1
129.06995	2.4
131.08582	13.4
132.09320	1.0
133.10139	35.3
134.01257	1.2
135.08040	1.8
135.11736	3.0
137.09612	1.4
141.07031	1.1
143.08554	3.0
145.10127	14.3
147.11693	24.0
149.09651	3.9
155.08548	0.8
157.10129	2.6
159.11717	6.6
161.13277	3.2
163.11179	3.2
167.99808	0.8
169.10149	2.0
171.11661	3.7
172.00995	0.8
173.13216	4.0
175.11211	0.8
175.14816	0.7
177.00284	0.8
183.11740	2.0
185.13358	1.3
197.13264	2.5
201.12767	1.0
208.02139	0.9
217.02620	2.8
219.13789	1.0
229.19536	1.4
233.15317	1.1
239.17963	4.5
239.24904	0.8
247.20541	1.1
252.04674	2.6
252.54723	0.9
257.19006	9.2
261.05243	1.6
263.55664	0.9
275.20071	100.0
275.27774	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	1.8
55.01865	1.9
55.05299	1.0
55.05513	10.3
57.03428	4.0
57.07070	2.2
58.84995	1.0
67.05178	1.5
67.05511	19.2
69.07067	8.1
69.84450	2.5
69.84858	3.4
70.06595	1.6
71.04982	4.0
79.05498	18.8
80.71799	0.9
81.06595	1.5
81.07063	28.0
83.04978	2.6
83.08608	6.2
85.06534	2.6
91.05487	31.9
93.07048	19.8
95.04957	3.8
95.08618	13.4
97.06528	3.2
97.10192	2.1
103.05488	2.1
105.07035	44.5
107.04957	4.1
107.08596	15.1
109.06518	7.8
109.10161	6.1
111.08072	4.0
112.56270	1.1
115.05402	1.3
117.07034	8.8
119.08590	35.3
121.06512	2.3
121.10152	10.7
123.08073	4.6
123.11696	2.7
129.06985	3.1
131.08577	14.8
133.10138	30.8
135.08052	8.0
135.11679	6.5
137.09602	3.0
143.08560	2.8
144.09344	1.7
145.10133	15.6
147.08081	1.2
147.11687	19.1
149.09619	5.5
149.13254	1.6
151.11203	2.7
155.08565	1.3
157.10156	7.0
158.10884	1.3
159.11688	14.2
161.09557	1.3
161.13237	5.8
163.11212	3.3
169.10133	2.9
171.11707	4.2
173.13268	14.9
175.11229	3.2
175.14830	3.5
177.12741	3.9
183.11708	5.1
185.13289	3.9
187.11130	2.2
187.14828	1.8
191.14268	3.0
193.12082	1.4
197.13237	3.4
199.14798	4.4
201.12761	3.0
203.14374	2.7
213.16530	2.2
215.14267	1.1
215.17883	1.0
218.74312	1.0
219.13680	1.5
219.17155	1.2
229.19402	1.7
239.17935	5.5
247.20480	3.5
257.19043	12.5
275.20074	100.0
275.27740	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01860	3.6
55.05521	8.7
57.07068	9.0
61.86183	1.6
62.06129	2.0
65.03935	2.2
67.05519	8.8
69.03409	3.2
69.07065	8.0
69.53432	9.7
69.53838	3.4
70.06584	6.5
71.04999	12.7
71.06929	3.5
71.08646	2.5
79.05493	7.3
81.07065	9.1
83.04985	6.1
83.08611	4.5
85.06557	9.7
88.07646	11.3
89.07967	3.3
90.27693	1.8
91.05478	15.6
93.07053	24.1
95.04955	5.8
95.08600	23.5
97.06542	3.6
98.21616	2.0
102.09199	3.1
103.09537	1.9
105.07033	25.8
106.08683	6.9
107.08579	23.3
109.06534	15.0
109.10142	7.8
111.08093	21.0
115.05442	2.8
117.07026	7.4
119.08589	35.7
121.10136	26.7
123.08060	3.3
123.11723	6.2
123.68344	1.9
128.06186	2.1
129.07039	3.2
129.56352	1.7
131.08583	28.1
133.10141	31.3
135.08069	27.8
135.11690	4.8
137.09616	12.3
139.11191	2.1
141.07016	3.0
142.07774	8.5
143.08557	14.7
144.09323	4.5
145.06308	1.9
145.09064	2.8
145.10126	33.2
147.11703	9.2
149.09659	3.3
149.13223	2.8
155.08589	4.3
156.09384	5.8
157.10141	25.7
158.10963	8.9
159.11703	38.2
161.09601	4.3
161.13293	2.2
163.11241	3.1
168.09349	2.6
169.10127	4.9
170.10921	2.0
171.11705	12.5
173.11777	2.9
173.13271	59.3
174.14023	5.4
175.11255	10.7
175.14845	6.0
177.12735	12.1
183.11670	14.1
184.12500	2.9
185.13216	2.5
187.11116	3.6
187.14883	8.5
191.14314	9.4
197.13274	8.2
199.14838	17.2
201.12726	10.5
213.16428	6.6
214.17146	3.5
215.14343	3.1
215.18001	6.7
217.15868	3.6
219.13921	2.4
239.17972	11.6
257.19000	25.8
257.26746	7.1
269.52081	2.0
275.20108	33.1
275.27762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.87560	0.5
53.03933	1.5
54.22537	0.5
55.01874	2.3
55.05515	11.2
55.99023	0.4
65.03931	0.8
67.05186	0.9
67.05511	12.6
69.07074	8.9
70.58900	1.5
71.04979	1.7
79.05497	12.9
81.07059	14.5
83.04987	1.8
83.08616	4.0
84.64478	0.5
85.06531	0.9
91.05485	28.9
93.07046	13.6
95.04967	1.8
95.08612	8.8
97.06535	1.8
97.10158	1.9
103.05464	1.0
105.07037	42.7
107.04967	2.4
107.08602	11.9
109.06521	2.2
109.10161	3.7
111.08065	0.7
114.66257	0.5
115.05523	0.7
117.07021	7.5
118.07835	0.7
119.08586	28.8
121.03635	0.5
121.06506	2.0
121.10147	5.1
123.08069	1.7
123.11729	0.5
125.09610	1.2
128.06186	0.5
129.06992	1.8
131.08569	11.3
132.09355	0.7
133.10138	28.0
135.08063	2.1
135.11700	2.5
137.09642	1.7
139.02063	0.6
139.11176	0.6
140.14890	0.5
141.06958	0.6
143.08585	2.3
145.10130	10.6
146.10905	0.7
147.08109	0.7
147.11697	19.4
149.09636	4.6
149.13283	0.8
151.11151	0.5
155.08513	1.0
157.10167	2.0
159.11705	7.8
161.09705	0.8
161.13260	5.1
163.11191	2.3
165.09126	0.8
169.10104	1.4
171.11755	3.1
173.09729	0.7
173.13278	3.7
175.11174	1.2
175.14853	1.3
181.12204	0.6
183.11707	1.9
185.13312	1.1
187.11240	1.0
187.14684	1.0
189.12718	1.0
193.12318	0.6
197.13255	1.7
201.12779	0.6
211.14888	0.6
215.14534	0.6
215.18027	0.6
228.44353	0.5
229.15909	0.8
229.19562	1.7
233.15356	0.9
233.18993	0.7
239.17915	2.8
247.17061	0.5
247.20477	1.4
257.19022	7.4
275.20074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.62076	0.5
52.68793	0.4
52.83044	0.5
53.03941	1.5
54.81036	0.5
55.01879	2.4
55.05511	10.2
57.03420	1.7
57.07082	0.6
65.03937	1.1
67.05506	16.4
69.03429	0.7
69.06731	0.8
69.07069	9.4
71.04988	1.5
71.14014	0.8
71.14349	0.8
77.03923	0.6
79.05494	16.9
81.03430	0.8
81.06594	1.1
81.07056	18.6
83.04970	2.3
83.05413	0.5
83.08627	4.8
85.06544	1.1
89.16195	0.5
91.05480	30.3
93.06490	1.1
93.07044	15.6
95.04965	3.3
95.07987	0.7
95.08604	10.9
97.06531	3.5
97.10154	1.5
103.05478	1.1
105.07032	42.3
107.04937	2.9
107.08595	12.8
109.06525	3.8
109.10157	5.8
111.08111	1.0
115.10812	0.6
117.07015	7.5
118.07839	0.6
119.08586	28.7
121.06519	2.8
121.10152	6.9
123.08047	2.2
123.11702	1.8
125.09621	1.7
129.06981	2.1
131.08563	10.1
132.09302	0.6
133.06506	0.9
133.10132	33.1
135.08067	3.9
135.11699	2.7
137.09625	3.6
139.11189	0.9
141.06961	0.9
143.08575	2.0
145.06497	0.6
145.09068	0.9
145.10130	10.5
147.08028	1.1
147.11687	15.1
149.09613	5.6
149.13196	1.0
151.11183	2.3
155.08530	1.0
157.10153	3.1
159.08125	0.5
159.11691	8.3
161.09621	1.3
161.13239	4.2
163.11197	5.2
165.12775	1.6
169.10153	2.2
171.11700	3.4
173.13258	4.8
175.11198	1.3
175.14844	1.1
177.12801	1.6
183.11697	1.7
185.13228	0.8
187.11211	1.2
187.14882	1.2
189.12801	0.8
189.16275	0.6
191.14287	0.8
193.12300	1.0
197.13295	2.0
199.14838	0.6
201.12837	1.1
211.14857	1.1
215.14351	1.1
215.17975	1.3
223.53456	0.6
229.19441	2.5
233.15372	0.8
239.17972	6.0
247.20573	2.3
254.94196	0.6
257.19000	10.8
275.20062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03931	2.3
53.50257	1.1
55.05515	13.0
57.03416	1.2
57.07061	5.3
67.05511	15.9
68.95340	1.2
69.03428	6.6
69.07079	6.6
70.82436	2.4
71.05004	1.4
79.05495	38.2
81.07066	7.6
83.04996	12.3
83.08617	3.4
85.06549	47.5
89.19599	1.3
90.09251	1.0
91.05466	5.5
93.07047	12.1
95.04955	3.4
95.08629	9.6
97.06512	3.1
98.97616	2.6
99.08100	18.8
100.36295	1.3
105.07034	11.6
107.04949	12.4
107.08601	19.8
109.06518	4.4
109.10163	19.8
111.08061	2.2
113.09639	3.4
117.07031	3.0
119.08585	14.6
121.06518	6.8
121.10147	37.5
121.11044	1.8
122.07304	15.6
123.08070	3.3
125.09652	7.6
130.07797	1.5
131.08609	9.4
133.10144	13.3
135.08076	9.7
135.11702	8.4
137.09624	100.0
139.07545	1.8
139.11147	6.2
142.07782	1.9
143.08565	3.5
145.10098	11.9
147.08022	2.2
147.11690	4.7
149.09625	9.0
149.13292	1.7
151.11194	2.5
157.10127	5.0
158.10941	2.5
159.08070	3.1
159.11690	7.4
161.09605	5.8
161.13249	1.9
163.07530	2.0
163.11186	13.8
163.14832	7.0
169.10202	1.5
171.11710	2.7
173.01262	1.4
173.09604	3.9
173.13272	18.4
175.11221	3.4
175.14839	1.9
177.12772	3.8
183.11671	1.8
185.13309	1.8
187.11165	2.2
187.14867	4.1
189.12817	2.9
191.14297	16.1
197.13234	3.2
199.14810	4.9
201.12794	9.5
205.75137	1.3
215.14296	7.5
215.17932	1.8
217.15904	8.7
219.13815	17.4
229.19528	2.6
231.17487	1.5
257.19022	17.9
275.20078	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	275.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01858	1.2
55.05507	13.4
57.03436	1.9
57.07065	5.6
59.04998	1.5
67.05506	15.2
69.03436	8.0
69.07065	8.6
70.24663	3.3
71.04977	3.0
79.05497	39.4
81.07053	12.0
83.04982	16.4
83.08598	3.5
85.06546	45.4
91.05489	7.9
93.07046	14.8
95.04958	5.2
95.08617	13.4
97.06519	3.8
99.08094	23.8
105.07034	13.6
107.04952	11.6
107.08594	19.0
109.06506	4.0
109.10154	13.3
111.08073	3.8
113.09615	3.2
117.07018	4.4
119.08576	22.2
121.06499	7.2
121.10145	33.4
122.07288	18.2
123.08063	4.9
123.11681	2.7
125.06034	1.4
125.09629	9.6
130.07738	2.1
131.08577	10.2
133.06528	1.6
133.10146	15.4
135.08052	8.8
135.11682	11.7
137.09616	100.0
139.11137	6.1
143.08580	5.0
144.09380	1.7
145.06462	2.6
145.10129	16.9
147.08044	2.3
147.11687	5.1
149.09589	11.1
149.13197	2.4
151.11140	3.2
156.09280	1.4
157.10089	4.3
159.08064	3.3
159.11662	10.8
161.09633	8.8
161.13235	2.7
163.07449	1.4
163.11171	15.1
163.14850	7.8
169.10109	2.3
171.11729	3.2
173.09642	3.2
173.13252	25.7
175.11205	5.1
175.14815	2.5
177.12793	4.3
183.11781	2.8
185.13313	1.6
186.10472	1.6
187.11179	4.0
187.14838	8.4
189.12781	2.4
190.05591	1.3
191.14310	16.9
197.13237	2.6
199.14795	6.6
201.12730	12.2
203.14220	2.2
214.53662	1.2
215.14334	10.2
215.17903	3.6
217.15915	9.2
219.13762	15.7
229.19550	4.8
239.17967	3.5
246.05305	1.2
255.83684	1.4
257.19043	16.7
275.16879	2.9
275.20071	85.3
294.18393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.01868	2.3
55.05265	1.3
55.05516	12.9
56.96551	0.8
57.03438	3.1
57.07087	1.2
58.75826	0.8
59.05016	0.8
62.97836	0.7
65.03962	0.9
67.05513	13.4
69.07079	10.6
69.64494	4.1
70.06622	0.8
71.04983	2.1
79.05500	16.0
81.07064	17.5
83.04996	2.8
83.08624	3.7
85.06578	0.7
88.07620	1.0
91.05489	26.9
93.07056	16.3
95.04976	2.4
95.08611	10.5
97.06554	2.5
97.10185	2.0
98.20853	1.5
99.08086	0.9
103.05475	1.1
105.07043	36.3
107.04977	4.1
107.08600	14.9
109.06535	5.9
109.10186	4.5
111.08106	1.5
113.06044	0.8
117.07029	8.5
119.08600	25.7
121.06525	4.3
121.10164	8.7
123.08077	2.4
123.11700	1.4
125.09632	1.4
129.07019	3.4
131.08585	12.4
133.06531	1.5
133.10153	21.6
135.08061	3.9
135.11703	5.2
137.09645	2.2
141.07014	1.4
143.08592	3.1
145.10147	13.6
147.08017	1.1
147.11708	16.7
149.09624	6.4
149.13266	1.9
151.11215	1.4
155.08586	1.8
157.10109	3.9
159.11717	8.7
161.09665	2.0
161.13298	4.7
163.11211	4.5
163.14731	0.9
165.12810	1.2
169.10162	2.9
171.11725	2.2
173.09630	1.0
173.13260	5.1
175.11253	1.5
175.14845	1.4
177.12773	2.7
183.11760	1.8
185.13313	5.3
187.11198	1.7
187.14886	1.4
191.14386	0.8
197.13329	1.2
199.14796	1.0
201.12871	1.2
201.16431	1.1
203.14406	3.9
213.16457	1.3
215.17972	0.9
219.17549	3.0
229.19591	2.9
233.19020	1.0
239.17975	4.7
247.20613	2.8
257.19009	17.7
257.26877	1.1
275.16248	57.0
275.20108	100.0
275.27753	10.3
276.20645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63962	0.4
55.05507	0.9
57.03423	0.6
59.15991	0.4
68.09457	0.4
69.03440	0.6
70.82983	0.6
72.08154	0.4
83.04981	0.9
84.08150	0.7
85.02917	0.4
86.09696	0.9
87.10027	0.7
92.30495	0.4
93.07059	0.4
97.02804	0.4
97.06503	0.6
98.97593	0.9
100.09758	0.4
111.04442	0.7
112.99154	0.4
119.01891	0.4
127.03947	0.6
129.05479	0.4
129.52727	0.3
131.00159	0.3
134.44746	0.4
141.06699	0.4
173.06496	0.4
186.13188	0.4
187.04597	0.5
231.08723	0.6
257.02734	4.2
266.40979	0.4
275.04144	4.2
275.11035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88280	0.4
53.03956	0.9
55.05515	40.2
56.96566	1.1
57.03447	0.8
58.99969	0.4
65.03954	0.5
67.05510	1.6
69.03435	1.3
69.07081	0.5
69.61567	2.6
70.06589	1.4
71.04995	0.8
73.06573	0.5
79.05512	0.4
81.07058	0.9
83.04987	100.0
84.08145	1.2
85.02897	1.3
86.04904	0.4
91.05465	0.5
93.03414	0.8
95.04983	2.0
95.08608	0.5
97.02928	0.4
98.51694	0.5
98.97584	1.3
101.06030	5.3
105.07027	0.8
111.04453	3.5
112.99062	0.4
113.06059	0.5
116.98610	0.6
119.08643	0.5
120.08144	0.4
129.05496	3.6
139.03946	1.5
147.06523	0.5
155.08597	0.5
157.05009	0.9
158.99666	0.5
211.85887	0.4
257.10278	3.7
257.12848	0.6
275.06128	0.4
275.11252	1.2
275.14047	1.1
275.20120	0.6
278.95090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22389	0.4
56.87084	0.4
56.96560	2.1
57.03431	0.6
61.02929	0.9
64.24989	0.5
69.03417	1.5
69.99313	2.2
70.06598	0.5
71.04975	0.5
72.08142	1.1
72.54226	0.5
73.02931	0.6
74.53945	0.4
75.74748	0.5
81.03401	0.9
82.99863	0.7
83.04997	0.5
84.08138	1.3
85.02900	1.9
86.09704	0.7
87.74399	0.4
97.02900	1.1
97.06571	0.7
98.21437	0.6
98.97593	2.8
101.00896	6.3
101.67973	0.4
102.49670	0.4
104.10783	0.5
106.02915	0.4
110.68510	0.4
110.97612	0.5
112.69414	0.4
112.99174	2.1
112.99998	0.6
113.00863	1.2
115.02425	0.9
116.98634	1.1
119.01930	9.4
125.07098	1.2
127.02445	1.1
127.03922	2.0
128.98543	0.7
131.00188	2.0
131.01888	1.2
133.03429	1.1
136.06140	0.5
136.07594	0.5
137.02936	1.0
143.01929	5.2
145.03465	2.9
145.04846	0.5
149.01224	0.8
155.01881	2.8
157.03526	1.0
158.99637	0.6
159.05052	3.0
161.03018	3.9
169.03481	1.4
173.02997	1.9
173.06654	1.8
175.02866	0.5
177.06158	1.1
178.04890	0.8
182.99623	0.4
185.02840	2.4
185.06622	1.0
187.04485	2.5
187.08255	0.5
189.02420	1.0
203.03941	2.1
203.07652	0.6
206.59056	0.9
207.05266	1.4
213.02432	1.1
215.04120	0.5
215.07689	0.7
219.01700	0.5
221.05077	1.7
231.03548	1.3
235.05000	0.6
245.05064	0.5
257.01434	1.0
275.02509	2.0
275.11035	100.0
293.03525	0.9
293.10889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42839	0.4
65.03933	1.0
67.05489	2.2
68.98288	0.5
69.03437	0.8
70.29608	1.1
70.29966	0.9
82.99834	4.6
83.04980	1.4
84.04504	0.6
84.08140	0.6
85.01416	0.7
85.02904	1.0
86.99330	1.1
89.00903	0.4
93.03396	1.3
95.04955	2.6
97.02871	1.2
98.20904	0.5
101.00887	41.0
103.02463	0.9
106.72442	0.4
107.03473	0.5
108.30872	0.4
109.01354	2.0
111.00471	0.6
111.02937	1.0
111.04441	1.0
113.00867	1.3
115.02442	1.3
115.52664	0.4
116.98626	0.4
117.03997	0.6
119.01925	54.3
121.02886	5.3
123.03005	0.5
125.04482	0.6
127.02424	19.4
129.00317	0.4
129.02003	0.4
129.03993	1.1
129.19234	0.5
131.01888	1.2
133.03487	1.2
137.02960	6.2
139.02408	1.8
139.03922	1.6
141.03957	1.3
142.03516	0.8
143.01913	5.2
143.05565	1.4
145.03470	36.4
147.01392	1.0
151.02388	3.2
153.03981	2.9
157.03481	8.3
159.05051	4.8
161.02969	5.9
163.04546	1.9
167.01878	2.8
167.05585	0.6
169.03471	56.9
171.01358	1.5
171.03697	0.7
171.05046	8.1
173.02966	0.8
175.04483	1.9
177.06180	0.5
179.01944	2.3
183.05087	0.7
183.07097	0.5
185.02968	23.5
185.06563	1.7
187.04529	57.9
189.02376	2.6
189.06116	1.0
193.03490	1.4
195.05035	4.5
196.99445	0.5
197.02963	11.7
197.04797	0.7
203.02010	0.9
203.03986	5.1
205.05580	6.9
207.03551	0.7
210.06143	0.9
210.97070	0.5
211.04529	4.7
213.02493	1.8
213.06071	2.2
214.96538	0.6
215.00342	1.9
215.03998	11.9
221.02980	3.8
228.98210	2.8
229.05586	39.8
231.00072	0.6
231.03459	3.8
233.01343	1.4
233.05136	0.5
239.04018	2.8
247.06639	17.5
249.04547	1.8
251.99728	1.9
256.97507	2.0
257.05090	3.1
274.94147	1.2
275.06125	100.0
276.06290	1.2
293.07169	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	275.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	20.2
70.20963	12.6
70.21352	13.8
70.98110	12.3
84.08157	15.8
85.02914	13.3
97.02911	9.9
98.97581	18.0
101.00891	68.9
104.77019	5.6
106.97050	5.4
110.97570	7.3
112.99146	14.0
115.02437	10.6
118.08694	7.7
119.01925	100.0
124.62976	6.4
125.07118	19.5
128.98653	7.5
131.00183	6.2
131.01912	11.1
133.03448	11.9
137.02975	9.7
140.00264	5.6
143.01921	19.8
145.03456	36.6
155.01848	10.0
157.03529	12.1
159.05043	27.2
161.02911	12.1
163.04488	7.1
169.03467	17.1
172.97595	10.0
173.03023	7.4
174.99165	17.1
175.04556	8.0
177.06120	7.4
185.02921	29.7
187.04507	30.9
189.02469	17.2
190.98656	18.4
193.00189	8.2
203.03983	21.8
207.03577	13.2
213.02481	20.4
221.05138	8.8
229.05499	6.1
231.03514	18.3
232.99632	12.8
257.01450	13.5
274.97418	9.7
275.01971	38.4
275.06195	24.3
275.10822	25.8
295.24359	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	274.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25243	1.4
53.03970	2.2
55.01871	2.0
55.05514	6.5
56.96587	1.6
57.07075	2.2
59.04989	2.1
65.83946	1.8
67.05509	13.2
69.03448	2.9
69.07066	7.3
70.42595	3.8
70.42956	3.4
71.04992	6.9
73.05395	1.7
79.05501	14.7
81.03426	37.4
81.07067	16.7
83.04972	9.6
83.08623	17.2
91.05490	18.8
93.07061	14.5
95.04967	15.0
95.08611	5.7
97.02857	2.2
97.06538	4.0
98.21434	2.4
98.97602	3.1
100.59423	1.9
105.07030	17.1
107.04993	5.2
107.08582	9.9
109.06564	3.3
109.10123	1.8
111.08094	8.4
119.08588	13.0
121.10143	9.0
123.08049	2.1
124.44737	1.6
129.07036	7.6
131.08585	13.6
133.10165	19.2
135.05589	1.5
146.64233	1.6
147.11696	15.5
149.09598	9.3
157.10130	13.0
159.59328	1.9
169.07033	1.8
175.11201	16.7
186.87833	1.8
187.08142	2.0
193.12257	100.0
200.11595	2.1
207.13777	1.6
225.14873	95.0
251.11243	10.2
268.65277	2.1
269.12399	7.0
274.09454	1.7
274.12833	1.6
274.18854	10.6
274.27490	9.1
275.20389	1.8
278.21512	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.274
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.07078	5.3
58.06592	0.4
62.06079	0.4
66.20163	0.2
67.48533	0.2
67.48894	0.2
69.27479	1.5
69.27887	0.5
70.06207	0.4
70.06596	9.4
71.08632	2.1
85.10168	0.9
88.07634	13.1
98.21481	0.5
102.09186	4.0
106.08674	6.6
110.39291	0.2
212.23802	0.7
230.24760	0.8
256.26358	5.3
274.27405	100.0
275.27835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03948	2.5
55.05512	16.1
57.07073	23.0
65.03947	2.8
66.31137	1.6
67.05175	2.7
67.05505	28.1
69.06732	2.5
69.07073	36.3
70.71365	4.9
71.08614	2.6
79.05492	14.5
81.07061	78.3
83.04992	3.1
83.08640	14.1
85.06538	2.1
91.05457	9.4
93.07054	42.3
95.08611	82.0
97.10178	11.5
103.72259	1.6
105.07045	28.4
106.62215	1.7
107.08597	57.0
109.10165	59.6
110.86749	1.6
111.04457	16.1
111.11699	5.2
114.40114	1.7
119.08598	24.3
121.10147	43.6
123.11711	41.0
126.01210	1.9
133.10146	19.9
135.11696	33.1
137.13263	12.0
145.10133	2.1
147.11714	20.3
149.13266	49.2
151.14833	8.6
161.13258	31.0
161.14479	3.2
163.14841	24.3
165.16403	3.0
170.79546	1.8
175.14816	12.8
177.16383	16.0
189.16400	20.8
191.17947	11.1
203.17969	18.9
205.19374	2.2
217.19522	32.9
231.21112	2.4
273.25772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.63082	1.0
53.03946	1.2
55.05515	5.5
57.07060	4.3
59.04992	1.3
65.03940	1.5
67.01855	1.7
67.05509	8.4
69.03426	2.2
69.07079	6.0
70.28000	2.3
70.28380	2.2
71.04983	2.1
76.78000	1.0
79.05505	7.0
81.07056	10.7
81.77627	1.0
83.04985	2.5
83.08614	3.0
85.06529	3.8
91.05485	14.6
93.07047	11.7
95.04955	3.4
95.08630	8.9
97.02909	2.2
97.06528	3.1
98.97569	3.2
99.09977	1.1
102.98764	1.1
103.05472	1.2
103.44463	1.3
105.06395	1.8
105.07039	21.7
107.04919	2.7
107.08596	13.2
109.06519	16.3
109.10165	4.2
111.04413	1.6
111.08100	2.1
115.05388	1.0
116.98662	1.9
117.07030	9.7
119.04959	5.5
119.07796	2.1
119.08582	19.6
121.06489	2.1
121.10148	14.0
123.08055	3.0
123.11672	1.3
128.06215	3.9
129.07011	7.8
130.07726	2.4
131.08569	14.6
133.06514	10.6
133.10129	10.4
135.08075	7.6
135.11659	3.3
137.09616	2.0
139.11194	1.3
141.06992	4.7
142.07762	8.3
143.08563	16.9
144.09326	3.2
145.10132	17.2
147.04402	14.7
147.08040	3.8
147.11700	11.0
149.09630	6.6
153.01837	30.7
153.06981	1.8
154.07854	1.5
155.08563	11.8
156.09360	11.2
157.10132	25.0
157.37480	1.2
158.10934	2.0
159.08032	1.5
159.11682	8.6
161.09631	5.2
163.11131	1.5
165.07022	3.0
166.07779	2.6
167.08582	5.4
167.10692	3.3
168.09332	1.4
169.10127	13.4
170.10930	6.2
171.11693	18.4
172.12386	1.3
173.09631	12.7
173.13245	6.3
175.11206	8.7
179.08583	2.5
180.09370	2.4
181.10115	6.6
182.10921	7.8
183.11708	6.9
184.12520	1.9
185.09593	3.1
185.13264	7.3
187.11234	3.4
187.14867	2.6
189.05522	1.5
189.12756	11.0
193.10164	1.9
194.10909	2.2
195.11720	6.6
196.12492	3.6
197.13263	30.6
198.14055	4.1
199.11214	14.6
207.11720	3.2
209.13266	2.4
211.11206	2.1
211.14864	12.0
212.12032	1.2
212.15651	8.5
213.12802	4.0
213.16414	21.5
214.13483	2.0
215.14354	5.3
217.12271	3.2
218.20103	1.1
222.14023	3.3
225.12787	4.2
226.13499	2.0
227.14301	8.0
227.17947	1.4
229.15982	5.6
230.16708	2.0
231.17403	4.5
237.16251	6.5
240.15123	4.4
245.19261	1.2
255.17458	47.1
273.07602	27.9
273.18503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03941	1.6
55.01862	2.9
55.05514	21.2
56.68879	0.6
56.96559	1.2
57.03438	1.6
57.07072	1.3
59.05010	0.8
65.03918	0.7
67.05178	1.2
67.05505	12.7
69.03422	1.8
69.07078	7.6
69.66324	4.0
71.04977	2.2
75.08710	0.6
75.17429	0.6
79.05074	1.1
79.05499	15.4
81.07065	16.8
83.04975	2.8
83.08624	8.5
85.06558	1.0
87.04462	0.9
91.05486	27.5
93.07047	14.1
95.04959	2.9
95.08612	10.6
97.06516	2.1
97.10188	3.5
98.21542	0.7
99.08079	0.9
102.77676	0.7
103.05453	1.5
105.07036	27.4
107.04935	2.4
107.08603	7.8
109.06532	3.6
109.10151	3.1
111.04409	1.0
111.08078	1.3
115.05422	4.4
116.06238	2.1
117.07021	18.9
119.04955	1.8
119.08587	15.2
119.09380	1.4
121.06507	4.1
121.10149	3.4
123.08109	3.1
123.11682	0.6
125.09631	1.9
128.06212	6.5
129.07005	12.4
130.07776	5.0
131.04903	1.2
131.08571	47.8
133.06474	3.9
133.10135	8.3
135.08058	3.4
135.11693	1.6
137.09634	1.9
141.07007	1.8
142.07770	2.1
143.08568	41.1
144.09346	1.5
145.06508	2.3
145.10127	48.7
147.08057	9.0
147.11682	3.4
149.09645	2.0
151.11192	1.0
155.08577	3.0
156.09346	1.0
157.10130	11.3
159.08063	4.9
159.11694	11.3
160.08823	0.8
161.09628	9.0
161.13240	1.4
163.11183	2.2
166.07849	0.8
167.08591	1.1
169.10158	6.1
171.08054	1.8
171.11693	8.6
173.09642	2.0
173.13278	1.9
175.11249	3.4
177.09358	0.7
177.12727	1.3
179.10539	0.7
181.10159	3.2
183.11694	2.0
185.09618	1.6
185.13269	3.0
187.11201	2.5
189.12746	1.6
191.10625	0.9
195.11722	6.0
197.13283	1.3
199.11211	2.0
201.12756	1.2
209.13202	1.7
211.14810	1.7
212.54861	0.7
213.12791	2.2
213.16473	1.4
215.14281	0.7
227.14406	0.7
227.17900	4.4
231.13841	1.0
237.16376	12.5
245.19023	4.3
255.17459	16.7
273.18512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.61253	0.6
53.03937	1.3
53.42432	0.8
55.01867	3.4
55.05515	21.3
56.96562	0.9
57.03428	2.5
57.07072	1.0
57.10469	0.8
59.04993	0.8
63.20751	0.7
65.03937	1.0
67.05193	1.0
67.05511	13.8
69.03425	1.1
69.07068	8.3
70.20063	0.7
70.20391	2.7
71.04983	2.3
73.06558	0.9
77.03931	1.2
79.05499	11.7
81.03412	1.2
81.07063	14.8
83.04958	2.8
83.08624	8.4
83.09077	1.2
85.02896	1.0
85.06524	0.9
91.05483	23.9
93.07051	11.5
95.04967	2.0
95.08612	7.3
97.06534	1.0
97.10186	5.1
98.20837	1.0
99.08082	0.9
100.73795	0.7
103.05467	1.8
105.07040	24.2
107.04956	1.8
107.08604	7.0
109.06516	3.1
109.10155	2.4
110.68362	0.7
111.08064	0.9
115.05467	3.3
116.06248	2.4
116.16769	0.7
117.07028	25.7
117.07873	1.7
119.04977	1.6
119.08592	13.5
119.48171	0.7
121.06493	2.6
121.10130	3.2
123.08052	2.7
125.09629	2.3
128.06229	6.5
129.07010	13.0
130.07797	6.3
131.08574	45.0
133.06474	3.7
133.10127	6.5
135.08054	3.8
135.11687	1.6
141.06972	2.6
142.07790	2.1
143.08565	41.4
144.09294	1.5
145.10126	58.6
147.08069	7.1
147.11693	2.2
149.09615	2.4
154.94176	1.0
155.08528	2.7
155.41641	0.9
156.09320	1.0
157.10132	14.5
159.08028	3.1
159.11690	13.1
161.09633	6.4
163.11203	1.4
169.10133	5.2
171.08101	0.7
171.11690	9.4
172.95274	0.7
173.09526	1.0
173.13292	2.1
175.11215	2.5
181.10243	3.6
181.11581	0.8
183.11760	1.9
185.09592	1.9
185.13295	3.5
187.11147	1.1
187.67355	0.7
189.12744	1.1
193.03954	0.8
195.11748	5.4
197.13301	0.9
199.11143	1.9
201.12698	1.0
202.87091	0.7
209.13353	1.3
211.14996	1.2
213.12714	1.6
213.16368	1.4
227.17996	4.0
228.97890	0.8
237.16362	9.5
238.24620	0.8
245.19052	2.4
246.99014	0.8
255.17415	12.5
273.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.57590	1.7
55.05505	6.6
57.03418	1.9
57.07074	2.0
59.04999	2.8
67.05496	7.8
69.07054	3.8
70.77425	2.1
70.77766	3.5
70.98916	1.7
71.04977	5.0
77.03400	1.8
79.05488	5.1
81.07051	9.0
81.38450	1.7
83.04980	4.8
83.08622	3.3
84.31084	1.8
85.06544	5.2
91.05480	7.8
93.07043	7.4
95.04976	30.7
95.08598	6.9
97.06447	2.2
98.20919	2.0
99.08093	3.4
105.07038	17.9
107.08584	12.6
107.40799	1.7
109.06519	31.1
109.10217	8.6
111.08056	5.3
117.06992	4.3
119.08587	28.1
121.10117	5.0
123.08089	22.0
124.11265	1.8
129.06990	5.8
130.07785	1.9
131.08575	18.7
133.10162	8.7
135.08089	9.4
135.11731	3.9
137.09621	10.6
142.07800	8.0
143.08562	13.4
145.10126	41.3
147.08031	4.0
147.11690	22.5
149.09616	2.8
151.07506	2.7
151.11169	4.4
155.08588	4.1
156.09351	10.9
157.10133	25.8
158.10936	5.4
159.08051	4.8
159.11688	16.8
161.09630	5.7
161.13226	4.4
163.11166	2.9
167.08586	3.1
169.10133	7.0
171.11711	23.6
172.08961	1.8
172.12433	2.1
173.09633	9.3
173.13271	25.1
174.10365	2.2
175.11172	10.4
177.12793	2.5
179.10651	2.3
180.09294	2.2
182.10953	5.1
183.11714	4.2
185.13322	12.8
187.11148	15.0
187.14828	7.7
189.12733	15.9
195.11719	4.3
197.13246	14.5
199.11139	10.0
203.14351	6.2
211.14810	4.5
212.15628	2.3
213.12822	6.0
213.16434	17.0
214.13498	3.0
215.14326	48.1
217.12256	9.7
227.18079	2.4
229.15910	3.1
231.17455	15.3
237.16364	3.5
255.17477	36.4
273.18497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	25.4
56.96571	63.9
57.03427	16.7
59.05223	6.9
67.05492	24.3
69.03427	13.4
69.07059	33.4
71.05022	8.7
71.08646	10.3
71.54554	10.4
79.05489	15.1
81.03407	10.2
81.07066	51.1
82.07371	9.9
83.08626	18.0
85.02902	20.2
91.05490	16.9
93.07050	12.6
94.07364	9.4
95.04916	9.7
95.08624	38.6
96.08950	8.5
97.02908	18.8
97.06517	15.0
97.10171	9.6
98.97598	100.0
99.08101	7.9
105.06996	25.7
106.07390	8.2
107.08601	14.2
109.10157	25.9
110.10623	8.5
112.99126	15.5
116.98624	32.3
119.08578	22.6
121.10110	10.3
122.10506	10.5
123.11756	8.1
124.99125	26.6
127.03871	7.5
131.00162	9.5
134.99680	8.8
143.00182	43.5
143.08592	9.1
146.10478	8.9
147.11687	12.0
158.99661	30.4
159.11754	6.9
160.12105	8.6
161.01273	27.9
161.13214	11.9
163.02783	13.2
170.99608	8.8
173.01286	12.2
177.00685	20.4
185.01257	14.3
186.93297	7.9
191.02267	12.8
198.09120	7.9
219.01633	12.5
227.12749	12.3
230.58232	29.6
231.08324	10.7
237.02763	13.0
239.58722	18.7
249.02837	28.5
251.09576	11.6
252.11131	14.8
254.25020	10.4
267.03864	32.9
272.24515	10.1
285.04968	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	273.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70110	4.5
53.03951	5.5
55.01876	8.5
57.03441	24.6
61.02927	26.5
69.03436	41.4
69.83521	15.9
69.83951	9.4
70.06570	9.5
71.05000	9.2
73.02921	27.0
81.03427	8.3
82.99820	4.3
85.02438	7.0
85.02907	100.0
87.04462	5.5
97.01418	6.1
97.02892	33.3
99.04432	6.2
101.00871	22.8
101.02366	4.4
109.02871	5.7
112.99129	12.9
113.00862	9.4
115.02454	59.6
117.02184	4.9
119.01927	15.1
123.02882	6.2
125.04533	6.7
127.03933	37.3
130.06284	3.6
131.00223	7.8
131.01920	10.6
131.04456	4.5
132.03546	4.6
133.03476	76.4
136.93115	6.9
138.03481	8.0
140.05011	3.9
141.03967	13.1
143.01907	70.4
144.03430	4.3
145.03479	11.0
145.04968	20.6
147.03969	9.1
151.04526	6.0
153.03989	11.2
154.94176	14.7
155.01868	36.4
156.04216	88.1
159.05035	36.5
161.02965	43.7
161.05562	31.7
162.04489	7.4
167.01880	9.1
170.06038	27.8
172.95354	6.4
172.98851	6.3
173.02968	38.2
174.04419	22.4
177.06075	35.4
183.05026	53.6
185.02928	23.4
191.04059	6.9
192.05544	34.0
195.07169	27.4
203.04005	32.6
214.99850	5.1
215.03923	7.1
219.07222	7.1
221.05051	5.0
225.01822	7.4
231.03333	5.0
233.05081	13.3
234.06418	4.2
245.05080	35.9
263.06097	43.8
273.00598	7.4
273.04333	83.2
273.11905	5.8
275.06165	5.7
291.01462	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	271.2057
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03947	1.3
55.05512	6.1
57.07085	7.9
58.02952	3.1
58.07401	1.9
67.05512	8.6
69.03430	2.7
69.07072	10.8
70.81873	3.0
71.04994	2.9
71.08630	3.9
72.08958	1.2
79.05496	4.9
81.07064	16.6
83.08612	2.4
85.06525	1.1
88.07626	1.7
91.05498	13.5
93.07053	16.8
95.04978	6.5
95.08617	33.7
97.06544	1.6
102.09181	4.3
103.09520	3.1
105.07041	24.1
107.08605	21.8
109.06511	3.8
109.10168	13.3
111.08083	3.1
115.05483	1.1
116.06236	1.4
116.10753	3.5
117.07039	1.7
117.11096	2.0
119.08592	27.6
121.06509	1.8
121.10149	37.5
123.08087	3.3
123.11718	22.2
129.06958	2.4
131.08582	38.8
133.06599	1.0
133.10150	17.7
135.08086	5.9
135.11708	6.8
142.07753	1.6
143.08589	2.2
144.09325	1.5
145.10135	14.7
147.08044	1.9
147.11694	19.0
149.09634	23.0
149.13208	1.4
155.08539	2.3
156.09326	2.3
157.10126	10.3
159.11699	11.2
161.09654	2.2
161.13272	4.4
163.11209	1.5
167.08571	1.9
169.10136	4.0
171.11685	4.7
173.13277	6.5
174.14041	1.6
175.11223	3.1
175.14857	9.6
182.10919	2.1
183.11729	3.5
185.13306	2.3
187.11186	1.8
187.14821	6.2
187.40109	1.0
189.16466	2.1
197.13260	11.2
201.12759	3.1
201.16345	1.8
211.14890	2.6
213.16437	1.8
213.72173	1.1
215.14334	6.3
243.21021	2.1
253.19640	6.7
271.05939	1.7
271.20639	22.8
271.28262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1692
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
55.05503	9.9
56.96560	7.1
57.03418	7.4
67.05498	20.8
69.07059	12.4
69.64458	26.9
71.04977	14.3
79.05489	18.5
81.03435	5.1
81.07062	28.5
83.04965	4.8
83.08617	6.6
84.81805	4.9
85.06544	6.7
91.05482	33.4
91.83568	4.0
92.05800	7.8
92.30835	4.3
93.07026	21.2
95.04967	8.5
95.08610	34.2
97.10176	6.8
98.21555	4.9
98.97603	7.8
105.07048	34.5
107.04933	6.1
107.08591	17.6
109.06521	62.7
109.10159	8.5
111.04410	5.2
115.05469	6.1
117.07044	11.0
119.08572	18.5
121.10146	8.6
127.03893	4.3
128.06227	8.2
129.06995	11.7
131.08559	20.3
133.10130	10.2
135.08057	25.6
137.09608	7.7
141.06995	5.4
142.07761	7.2
143.08586	22.3
145.06487	9.9
145.10107	24.4
147.08060	10.0
149.09622	12.3
155.08536	16.9
155.48645	4.8
156.09387	6.8
157.10121	16.0
159.08049	24.3
159.11710	11.2
161.09624	10.5
163.11247	4.7
165.06995	9.6
165.72052	4.8
167.08643	4.8
169.10110	17.5
171.11745	20.9
173.09549	11.3
175.07532	6.1
179.10838	4.5
180.09291	11.2
185.09653	7.9
185.13310	5.6
187.11180	5.4
189.09138	5.2
192.07462	4.6
195.11671	36.2
196.12428	5.7
199.11214	5.7
210.13969	4.8
211.14809	17.5
213.12727	34.3
229.15723	4.5
232.21642	4.9
235.14690	5.0
253.15839	16.8
271.06006	19.3
271.16983	100.0
271.20029	7.6
271.21014	4.7
271.24399	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	271.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
56.96551	0.7
57.07074	0.5
57.15246	0.3
61.45926	0.4
67.05515	2.1
69.03419	0.8
69.07080	2.5
70.06595	48.2
71.04990	0.8
72.08169	0.4
73.86646	0.4
79.05473	0.7
81.03429	0.6
81.07059	2.9
84.08134	0.5
85.06552	0.7
86.09709	28.3
91.05488	2.0
93.07058	1.4
95.04969	0.6
95.08615	2.5
97.06534	1.1
98.97588	1.6
99.04456	0.6
105.07043	1.5
107.08610	0.8
109.10153	1.6
111.04396	0.4
112.07613	3.5
113.09701	0.4
116.07096	100.0
119.08596	0.9
119.63432	0.4
121.06497	0.5
121.10156	0.9
123.08092	0.5
124.33218	0.4
125.06077	0.6
125.09673	0.6
128.10722	17.0
131.08582	0.8
133.10162	1.3
135.11707	0.8
137.05980	0.6
140.07080	2.4
143.08565	0.7
145.10135	0.5
145.13028	0.4
156.10236	2.8
158.99669	0.8
161.09595	0.6
163.06021	0.4
165.07065	0.6
173.81308	0.5
179.10718	0.5
183.08145	0.4
183.11702	0.5
211.07549	0.7
239.03421	1.2
271.06052	0.9
271.10406	1.6
271.15027	0.8
285.32535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
51.06067	0.6
55.05512	1.3
56.96567	0.7
57.07064	0.8
58.02325	0.7
63.80868	0.6
67.05496	2.8
67.67418	0.7
69.07063	2.1
69.62180	1.1
69.62585	3.3
70.06579	0.8
79.05483	2.8
81.05793	0.9
81.07041	2.8
81.87101	0.6
83.08591	0.7
85.06522	0.6
91.05476	2.6
93.07040	1.9
94.06512	0.9
95.04982	0.9
95.08598	2.2
96.08129	2.8
104.82539	0.6
105.07040	2.0
106.06558	2.2
107.04899	0.7
107.08584	1.2
108.08118	9.6
109.02884	2.3
109.10178	1.6
109.17348	0.6
117.07021	1.0
118.06537	0.9
119.08558	1.2
120.08089	1.0
121.10155	1.1
122.09672	1.8
128.06255	0.7
129.07051	1.3
130.06398	0.7
131.08594	1.4
133.10136	1.8
134.05992	1.9
135.08075	0.9
136.07578	1.4
142.07835	1.0
143.08551	0.8
144.05775	0.7
144.08069	1.0
145.10118	1.0
148.07524	0.9
154.06459	1.0
156.08058	0.7
157.10135	2.2
158.09680	1.3
159.08037	4.2
159.09161	0.9
159.68626	0.6
161.09624	1.1
166.07759	0.6
168.08099	3.3
169.08861	4.1
170.09537	0.8
171.09183	0.7
172.07576	2.0
173.09601	1.1
174.09073	1.4
179.10713	0.9
181.10115	1.2
182.09700	2.0
183.10405	5.8
183.11722	0.8
185.10811	1.5
186.09131	1.4
186.11508	1.6
189.09123	1.2
196.07568	4.8
196.09943	0.7
197.08376	8.8
198.09187	2.1
198.12793	6.8
199.08662	7.3
199.12289	2.2
200.10779	0.8
200.13065	1.3
208.11322	1.1
210.09142	2.3
211.09921	15.0
211.11832	1.1
213.10245	14.3
214.10974	4.1
215.15506	4.0
225.11211	2.6
225.13853	1.5
226.12282	32.2
227.08243	1.0
227.11784	16.6
228.12584	24.9
239.11867	0.9
241.09816	1.4
241.13358	0.9
242.10477	1.3
243.14943	22.4
253.13329	3.3
254.11723	2.1
255.11298	17.8
256.12070	22.4
261.39795	0.6
271.06082	2.6
271.14417	100.0
271.24176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.079
Annotation	Micrandrol C
Peak:m/z	Relative Intensity
54.79369	1.8
55.01872	6.2
55.05507	7.8
56.96564	7.9
57.03437	4.9
57.07098	3.6
61.60692	1.8
67.05511	7.8
69.03429	5.9
69.07067	9.2
70.06598	11.2
71.04990	4.9
71.54025	3.1
72.08157	16.6
73.02928	2.4
79.05495	11.0
81.03445	2.2
81.07039	15.2
83.04984	5.9
83.08652	3.8
84.04500	2.5
84.08155	6.8
85.02904	6.4
85.06556	3.9
86.09703	13.0
87.04453	1.7
91.05482	26.3
93.07056	10.2
95.04993	4.4
95.08612	7.2
97.02898	5.5
97.06551	5.0
98.97598	12.8
101.06024	4.2
105.07030	9.8
107.04981	3.6
107.08600	7.7
109.06528	7.2
109.10190	6.5
109.52586	1.9
110.07211	2.6
110.97610	2.1
111.04445	2.9
111.08105	2.8
112.99147	2.3
113.73729	2.0
116.07133	7.1
116.98630	5.6
117.07001	3.6
119.04980	4.1
119.08595	7.7
120.08118	10.4
121.06511	3.2
121.10171	6.6
123.08075	4.7
124.99132	2.6
124.99993	3.4
125.09644	3.3
127.00012	19.2
129.05493	2.9
129.07031	3.6
129.10304	3.3
131.00191	3.6
131.04939	3.7
131.08580	8.0
133.10150	4.5
135.11760	3.9
143.08600	4.6
145.02875	2.8
145.10135	3.2
147.04504	2.5
147.08122	2.0
147.11687	3.9
149.02371	3.7
149.09592	2.6
151.07471	2.0
151.11285	2.4
153.07025	2.1
155.08524	2.8
157.10149	3.2
161.13214	2.7
163.03987	4.8
163.07657	2.6
165.06993	3.4
167.01740	1.9
167.06888	8.0
173.01294	2.4
173.13193	2.6
175.11324	2.1
177.00725	4.1
180.08980	3.5
181.08397	5.8
182.04034	5.8
184.07462	3.5
196.11353	2.0
203.07549	3.5
208.08401	2.8
209.07947	6.2
211.07443	5.6
215.07042	2.4
217.12337	4.2
217.16148	2.9
219.01801	2.6
225.07396	6.2
235.13347	3.7
235.17140	2.5
237.02802	2.3
243.06456	3.0
243.14972	4.8
244.99849	2.3
253.04883	2.8
270.57373	3.5
271.07980	100.0
271.11102	19.3
271.14569	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1902
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03938	4.8
55.05514	22.6
56.96558	6.4
57.03430	5.3
57.07071	4.5
62.53773	3.7
65.03945	3.4
67.05511	46.3
69.03424	9.2
69.07071	26.0
69.37810	24.7
71.05003	8.1
71.08620	3.5
73.11961	3.5
76.05419	3.0
79.05496	24.1
81.03410	4.5
81.07064	48.1
83.04967	9.0
83.08614	11.8
84.08119	4.4
85.06512	3.1
91.05493	38.7
93.06495	3.6
93.07047	40.7
95.04979	36.6
95.08614	58.3
97.05010	3.0
97.06536	14.8
103.05492	3.7
104.99284	7.4
105.07041	43.9
107.04958	4.2
107.08612	37.3
109.06499	13.2
109.10159	26.0
111.08085	7.8
116.86877	3.0
117.07021	15.6
119.08588	53.0
121.06521	5.9
121.10146	25.7
123.08067	12.2
123.11694	7.8
125.09696	3.4
128.06203	7.3
129.07027	9.0
130.07835	4.1
131.08586	50.1
133.10135	31.2
133.54781	2.9
135.08043	8.8
135.11684	5.7
136.93198	3.3
141.06987	7.8
142.07826	16.7
143.08553	32.0
144.09370	7.2
145.10127	42.9
146.10880	4.0
147.08078	4.5
147.11673	13.8
149.09531	3.5
149.13255	9.8
155.08580	11.8
156.09406	19.0
157.10130	35.3
158.10875	10.2
159.11710	23.6
161.09589	5.4
161.13252	5.4
163.14903	3.9
165.06995	5.7
167.08482	3.9
169.10156	16.7
170.10930	13.4
171.11705	38.7
172.12466	3.9
172.95334	7.4
173.13284	52.2
174.14113	2.9
175.11188	10.4
179.08568	6.3
179.50008	3.2
181.10162	5.5
183.11723	11.4
185.13269	55.5
186.13960	9.1
187.11244	6.2
187.14844	15.8
194.10875	7.3
195.11743	5.9
195.13788	7.9
196.12488	5.9
196.75768	3.0
197.13240	4.0
199.11160	8.8
199.14821	12.1
207.11696	6.7
209.13237	9.9
209.15266	3.1
211.14824	13.2
213.12703	19.6
221.13229	7.0
223.14894	4.1
227.14296	4.6
228.97682	4.0
236.15680	4.7
237.14894	4.3
241.19510	9.7
245.87842	3.4
251.17973	11.1
255.15979	26.8
269.08237	5.8
269.13043	18.1
269.19122	100.0
287.13800	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03944	2.5
55.01866	3.3
55.05276	1.7
55.05515	20.6
56.96564	1.5
57.03441	34.2
57.07079	3.3
59.23425	1.3
63.70171	1.2
65.03934	1.6
67.05507	81.8
69.03433	1.6
69.07069	28.5
69.18690	9.7
69.19089	3.3
71.04996	6.3
77.03896	1.2
79.05497	44.8
81.03411	3.5
81.07057	100.0
83.04989	10.8
83.08624	18.8
85.06522	6.4
88.15250	1.3
91.05483	31.3
93.07044	74.0
95.04963	5.6
95.08611	27.8
95.09171	1.2
97.06528	16.1
98.20770	2.3
99.08091	4.8
101.89208	1.2
104.12479	1.2
105.07040	12.7
107.07881	2.1
107.08598	32.5
109.06500	3.9
109.10163	4.5
111.08072	9.8
117.07021	12.3
119.08560	3.8
121.06458	1.8
121.10164	17.2
123.11698	3.0
127.07545	2.2
131.08571	14.1
133.10150	15.3
135.08051	2.6
135.11682	12.2
139.11111	2.0
145.10098	2.2
147.11626	1.6
149.13261	49.9
151.11195	2.6
153.40874	1.2
157.10103	1.8
159.11690	29.0
161.13234	4.4
167.14322	1.8
168.48462	1.2
175.14822	1.6
177.12750	16.3
179.14333	1.6
180.32182	1.2
195.13808	18.8
210.17339	1.4
213.14685	1.8
269.17468	80.4
269.22305	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	4.1
55.01863	5.1
55.05512	20.7
56.96558	3.7
57.03442	30.8
57.07071	4.7
65.03936	3.0
67.05507	78.7
69.03399	1.9
69.07071	32.4
70.12572	5.5
71.04983	4.7
77.03915	1.4
79.05495	42.4
81.03410	5.1
81.07059	100.0
83.04989	11.7
83.08623	20.5
85.06541	7.2
91.05484	24.2
93.07050	73.1
95.04962	6.2
95.08607	30.8
97.06533	16.8
97.10182	3.2
98.97575	3.7
99.08097	4.1
101.95754	1.4
105.07030	11.6
107.08603	36.7
109.06493	3.2
109.10149	7.2
111.08088	10.2
113.06046	2.9
116.98565	2.2
117.07021	11.4
119.08583	8.7
121.06533	2.9
121.10145	24.0
123.11689	4.6
131.08571	13.4
133.10130	13.0
135.04596	1.5
135.08038	4.0
135.11681	12.8
137.06653	2.0
139.11205	2.7
139.51718	1.4
139.54535	1.3
143.08574	1.6
145.10136	3.7
147.11682	3.4
148.65654	1.2
149.09579	1.6
149.13263	49.0
151.11198	2.2
157.10106	3.4
158.99643	1.7
159.11710	27.9
161.13252	2.3
167.58073	1.5
173.13306	3.0
173.21231	1.4
177.12718	15.5
191.14342	1.9
195.13829	16.0
199.14883	1.9
215.17886	1.6
226.08720	2.3
251.19962	1.9
260.41919	1.5
269.08279	2.4
269.11642	2.3
269.17496	65.8
269.22412	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03928	3.5
55.01860	2.4
55.05513	19.4
56.96562	1.5
57.03440	32.6
57.07074	3.9
65.03931	2.9
67.05508	79.3
69.03413	1.1
69.07072	28.4
71.05003	5.0
71.08624	1.5
71.25842	1.6
74.15395	0.8
79.05497	43.9
81.03402	2.5
81.07060	100.0
81.35738	0.8
83.04985	9.4
83.08624	19.1
85.06538	5.3
86.09663	0.8
91.05485	24.7
93.07046	73.1
95.04970	6.8
95.08611	27.3
95.09163	0.6
97.06538	15.5
97.10137	2.3
99.08074	4.0
104.99252	0.9
105.07035	11.1
107.08598	36.7
109.06533	4.7
109.10165	5.7
111.08073	11.4
111.11710	1.2
113.09650	1.5
117.07027	10.6
119.08566	5.0
121.06507	3.0
121.10144	19.1
121.11010	0.6
123.11694	4.8
125.09596	1.3
127.07540	1.3
129.06992	0.8
131.08565	12.5
133.10143	13.5
135.08017	2.3
135.11696	13.0
136.06204	0.9
139.07454	0.8
139.11156	2.7
143.08565	1.1
145.10098	2.0
147.11626	2.7
149.13266	53.4
151.11160	1.7
152.32588	0.9
157.10091	1.4
159.11699	28.5
159.13016	1.5
161.13237	1.7
167.14258	1.3
171.11620	1.3
173.13307	1.4
177.12761	14.9
179.14255	2.6
185.13232	1.6
195.11995	1.2
195.13820	17.6
209.36958	0.8
211.14836	1.4
213.14803	2.0
251.16374	1.5
251.20018	1.9
261.64355	0.9
269.17444	83.6
276.47562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03928	3.0
55.01859	2.4
55.05514	19.6
56.96542	1.6
57.03440	33.1
57.07051	3.7
57.33371	0.9
63.92445	0.8
65.03934	1.9
67.05509	76.2
67.67814	1.0
69.03425	1.4
69.07072	30.1
70.63973	2.7
71.05000	7.4
73.74745	0.9
77.46483	1.0
77.64985	0.9
79.05497	46.7
81.03402	4.0
81.07060	100.0
83.04984	10.2
83.08623	19.0
85.06538	5.6
86.50643	0.9
91.04921	1.1
91.05486	28.3
93.07050	68.6
95.04974	8.4
95.08613	30.6
97.06547	16.8
97.10149	3.0
98.97547	1.7
99.04478	1.0
99.08089	4.9
105.04462	1.3
105.07032	15.8
107.08602	33.1
109.06549	5.4
109.10168	6.1
111.08089	10.1
115.05455	1.3
117.07017	13.2
119.08585	6.1
121.06510	2.0
121.10150	19.2
123.08098	1.6
123.11681	3.8
127.07574	1.3
131.07732	1.3
131.08578	14.0
133.10138	14.8
135.08037	2.4
135.11690	14.0
139.11084	1.9
141.99153	1.0
143.08548	2.7
145.10106	2.5
147.11626	3.5
149.09534	1.1
149.13268	44.2
151.11176	2.0
157.10086	2.8
159.11705	30.6
161.13280	3.6
167.14249	1.2
169.10001	1.0
171.11697	1.8
173.13194	2.7
175.20972	1.0
177.12740	16.3
179.14316	2.6
185.13319	1.3
187.14835	1.2
189.02217	1.1
192.67308	1.1
193.10408	0.9
195.12001	1.5
195.13821	18.6
213.14667	1.5
213.16461	1.1
241.19492	1.6
251.20073	1.1
269.17413	79.3
269.22513	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03929	3.5
55.01855	3.6
55.05511	22.5
56.96555	2.6
57.03159	1.8
57.03437	30.0
57.07067	4.4
59.04992	1.5
65.03929	1.4
67.05508	84.8
68.35121	1.0
69.03420	1.5
69.07069	29.0
70.85410	2.5
71.04993	6.9
71.08619	1.0
72.19630	1.0
79.05497	53.8
81.03416	2.0
81.07059	100.0
83.04979	12.0
83.08620	19.7
85.06560	6.7
85.63251	1.0
91.05482	29.8
93.07046	77.9
95.04980	9.2
95.08608	27.1
97.06528	21.1
97.10137	3.0
99.08085	5.9
103.65923	1.1
105.04541	1.3
105.07034	13.4
107.08597	39.0
109.06522	5.1
109.10146	5.6
111.08083	9.7
113.05996	1.6
113.09604	1.5
117.07024	13.8
119.08578	5.6
121.10147	21.1
123.08064	1.2
123.11700	3.6
125.09615	1.3
127.95343	1.1
131.08577	18.2
133.10144	18.0
135.08026	2.3
135.11703	14.1
139.11206	1.8
147.11655	1.7
149.09596	3.0
149.13264	45.9
151.11183	3.0
153.09058	1.5
157.10127	2.2
159.11702	36.6
159.13022	1.9
161.13240	5.3
167.14340	1.1
173.13303	1.4
177.09085	1.7
177.12737	19.7
179.14244	3.3
189.41551	1.1
195.13808	20.2
202.48944	1.2
213.14764	1.2
231.47408	1.3
235.81071	1.0
251.16243	1.3
251.20139	1.1
269.17447	87.6
270.17520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03949	4.2
55.01862	3.1
55.05282	1.6
55.05518	21.3
57.03442	30.2
57.07066	3.9
65.03940	1.7
66.89582	0.8
67.05509	83.2
69.07076	27.6
69.07442	0.7
69.75571	5.3
70.53978	0.8
71.05003	5.3
71.05318	1.0
72.17570	1.0
73.02895	1.0
74.85088	0.8
77.03924	1.7
79.05498	46.8
81.03404	3.1
81.07063	100.0
83.04993	11.0
83.08164	1.2
83.08627	19.0
84.08147	1.5
85.02952	0.9
85.06540	6.5
91.04911	1.4
91.05487	29.8
93.07048	72.4
95.04972	7.3
95.08608	28.7
97.06535	18.1
97.10160	2.0
99.08103	4.4
101.00873	2.1
103.03923	1.0
104.99235	1.1
105.04510	1.3
105.07043	10.8
107.07877	1.9
107.08604	33.5
107.75428	0.9
109.06511	3.7
109.10164	5.1
111.08086	8.8
113.05974	2.0
113.09642	1.9
117.07025	14.1
119.01905	0.8
119.08562	3.3
121.06504	2.8
121.09342	1.6
121.10155	24.9
123.11682	4.2
125.09631	1.7
129.06934	1.0
131.08572	15.8
133.10132	17.3
135.08060	2.5
135.11700	12.5
139.11191	1.3
143.01920	2.1
147.11652	1.6
149.09633	10.1
149.13266	44.4
151.11195	2.1
159.11696	32.8
161.02974	2.1
161.13301	2.1
167.14372	1.3
167.67168	0.9
177.09198	5.2
177.12749	18.6
179.14314	3.1
181.12392	1.1
184.02910	0.9
190.11871	1.1
195.13834	17.7
209.11674	2.6
213.14951	1.1
241.14420	1.1
251.16429	1.0
269.17487	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03935	4.5
55.01860	4.5
55.05513	20.0
56.96552	3.4
57.03440	35.9
57.07059	5.2
61.37564	1.2
65.03928	2.1
67.05510	84.2
69.06735	2.2
69.07070	27.5
70.25501	2.7
70.25858	3.5
70.54760	1.2
71.05002	7.8
79.05498	50.7
81.03422	2.2
81.07062	100.0
83.04563	1.3
83.04994	13.2
83.08156	1.6
83.08620	20.5
85.06551	5.9
91.05486	25.4
93.07051	74.5
95.04992	9.1
95.08613	28.6
97.06020	1.4
97.06548	18.3
97.10138	2.6
99.08111	6.2
104.99259	2.8
105.07043	12.7
105.54636	1.2
107.08604	39.7
109.06512	4.6
109.10123	5.6
111.08086	8.7
113.06006	1.3
115.05409	1.6
116.98616	1.4
117.07029	13.2
119.08598	4.2
121.06477	3.2
121.10146	22.2
123.11682	4.0
125.09620	1.6
131.08591	11.8
133.10149	12.4
135.08020	2.3
135.11678	15.3
139.11244	1.7
143.08601	1.7
144.09320	1.9
145.63106	1.6
146.44028	1.2
147.11696	2.1
149.13269	56.3
151.11160	3.5
157.10138	2.5
159.11688	28.6
167.14270	1.8
171.11694	1.5
173.13129	1.8
177.12759	15.1
179.14333	1.3
185.13240	1.2
195.13802	18.8
213.14838	2.7
269.17453	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03924	4.5
53.78072	1.6
54.67928	1.7
55.01862	3.4
55.05514	19.1
56.96550	3.5
57.03439	30.8
57.07073	4.0
65.03918	2.4
65.09692	1.6
67.05511	77.7
69.06731	2.2
69.07071	28.7
69.58343	3.8
69.58752	7.2
71.04980	7.0
71.08614	2.4
79.05088	2.9
79.05500	43.5
81.03390	3.2
81.07062	100.0
83.04991	10.0
83.08623	18.7
85.06527	5.3
91.05489	27.6
93.07051	73.2
95.04948	7.0
95.07990	2.0
95.08607	31.0
95.44458	1.7
97.06532	17.3
97.10148	2.6
98.21539	1.9
99.08088	3.0
104.73060	1.4
104.99274	2.4
105.07050	9.5
107.08601	34.0
109.06522	4.1
109.10153	9.1
111.08084	9.6
113.09591	1.8
117.07030	13.5
119.08582	6.6
121.06512	1.9
121.09482	1.6
121.10150	20.0
123.11669	5.0
127.07601	1.5
131.08572	12.0
133.10127	15.6
135.08035	2.8
135.11707	14.8
139.07422	1.5
149.13271	41.6
149.97302	1.7
151.11130	2.1
159.11696	30.9
161.13225	3.1
167.14371	2.1
172.36757	1.5
177.12743	17.0
179.14311	2.9
183.11812	1.8
195.13821	17.8
196.38139	1.6
251.20151	2.2
269.08261	3.0
269.17441	78.7
279.83328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01867	0.3
56.62969	0.2
57.03432	0.5
69.03426	0.2
70.23157	0.5
84.26289	0.2
85.02913	0.4
94.04062	0.2
98.20878	0.2
107.91872	0.2
119.03561	0.9
126.27571	0.2
129.26733	0.1
136.06187	100.0
137.04611	0.2
268.10413	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	268.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52148	1.6
83.63196	1.0
87.84090	1.3
94.93020	5.7
112.89603	15.7
114.89331	4.6
116.89130	5.0
125.66023	1.0
134.96077	5.0
136.94029	4.7
162.95552	2.0
164.93521	4.9
176.93524	4.0
178.95079	2.0
188.93521	1.9
227.01756	1.8
250.93492	2.4
250.97119	1.6
268.94693	14.1
268.98242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
51.50312	1.1
53.03931	2.9
55.01887	1.2
55.05274	1.4
55.05516	22.5
56.96557	2.1
57.03440	26.3
57.07073	3.0
65.03931	1.9
67.05510	84.2
69.07072	27.1
69.32522	10.2
71.04607	1.2
71.04974	6.1
72.27641	1.1
77.03931	1.7
79.05499	44.8
81.03412	1.5
81.07063	100.0
83.05001	9.1
83.08623	20.5
85.06542	7.2
85.10263	1.2
91.05485	27.7
93.07050	71.8
95.04971	6.4
95.08611	28.2
97.06541	17.2
97.10153	2.8
97.76730	1.1
98.21509	2.8
98.97586	5.5
99.08124	6.1
105.07024	12.4
107.08601	34.0
109.06500	3.6
109.10155	7.2
111.08075	8.5
111.11700	1.4
113.09644	2.1
117.07026	12.4
119.08577	5.5
121.09325	2.0
121.10149	23.3
123.11726	3.5
127.07612	1.4
131.08580	12.1
133.10136	12.5
135.08089	2.8
135.11702	12.7
139.11159	2.4
145.10159	1.9
147.11690	3.2
149.09639	2.9
149.13272	49.5
151.11166	1.9
157.10086	2.2
157.76378	1.2
158.63043	1.4
159.11710	32.5
161.13213	2.2
165.12732	2.0
167.14308	1.9
171.11603	2.4
173.13235	1.3
176.23462	1.1
177.12775	17.7
179.14365	2.0
191.18042	2.0
195.13832	16.6
209.19183	1.2
213.14828	3.1
231.32288	1.3
244.99551	1.5
251.16505	3.0
251.20042	2.1
269.08044	1.5
269.17480	83.3
269.22369	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22616	0.4
57.07075	0.5
59.16061	0.5
71.04996	0.7
71.53086	0.9
76.33339	0.5
81.07061	0.7
82.32947	0.5
82.99831	0.6
96.27332	0.5
98.97561	1.1
99.04433	2.3
101.00885	3.5
103.00630	1.8
115.02387	0.6
116.98659	1.2
119.01929	9.8
120.02044	0.7
121.01672	4.8
127.03923	4.0
133.03496	0.6
134.99774	0.6
136.06183	2.7
137.02934	1.8
139.02507	1.9
142.03459	0.5
142.98582	0.7
143.01900	0.6
145.03433	2.2
149.00743	0.7
157.03471	9.3
160.99619	2.7
161.02959	0.7
167.01933	2.8
169.03453	1.4
171.04991	1.1
173.03024	3.1
175.04512	1.9
177.00955	1.0
178.01045	1.2
179.00710	20.7
181.03419	0.7
185.02974	24.8
187.04575	2.0
191.04074	0.7
197.02960	0.6
199.04520	2.4
203.00780	2.2
203.02312	0.8
203.04013	12.2
208.04654	0.7
209.02956	1.0
215.04016	2.6
219.01938	2.1
219.03957	2.8
220.02104	0.9
221.01773	24.7
221.05157	1.9
222.01750	0.6
227.00755	1.9
227.04025	11.1
227.85577	0.5
233.05035	1.2
244.95877	0.9
245.01865	12.2
245.05074	30.1
262.03171	3.0
263.02896	100.0
264.02881	0.9
268.06799	1.1
286.04550	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.39458	0.1
52.09956	0.1
55.01867	0.3
57.03448	0.6
59.36966	0.1
61.02925	0.2
61.11951	0.1
62.27382	0.1
63.33110	0.1
69.03433	0.2
70.33839	0.4
70.71355	0.1
71.01349	0.1
73.02905	0.2
75.89336	0.1
85.02911	0.5
94.04070	0.4
97.02876	0.2
98.21355	0.1
115.04036	0.2
119.03527	0.7
133.04915	0.2
136.06190	100.0
137.04611	0.3
146.31754	0.1
174.65501	0.1
178.07127	0.1
191.04050	0.2
220.06430	0.1
268.10413	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	267.1954
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03940	1.0
55.01873	2.6
55.05514	6.1
56.96559	1.4
57.03431	1.2
57.07082	1.6
57.64856	0.7
65.03934	0.8
67.05157	0.4
67.05503	14.6
69.03430	100.0
69.07072	5.5
69.52295	1.5
69.52702	2.8
75.04221	0.6
79.05499	10.5
81.03410	1.9
81.07058	19.3
83.04974	6.9
83.08620	2.5
85.06542	1.8
91.05485	14.4
93.07041	11.5
95.04973	2.7
95.08611	11.9
97.06525	9.9
97.07086	1.1
97.10175	1.4
98.98476	1.2
99.08080	1.1
105.07034	8.0
107.08582	9.8
109.06525	6.9
109.10168	9.6
111.04484	2.6
111.08080	5.2
115.64495	0.8
117.07038	1.6
119.08575	6.7
121.06508	1.9
121.10150	7.4
123.08076	6.6
123.11744	2.9
125.06010	5.8
125.09660	1.4
127.07597	1.4
129.07010	1.4
131.08591	2.7
133.10130	21.2
135.08105	0.9
135.11697	1.9
137.09604	5.1
143.08606	1.2
145.10168	1.0
147.08156	0.9
147.11671	4.9
149.09599	3.7
149.13290	2.3
151.11197	5.4
157.10159	2.0
159.11714	1.1
161.09688	0.8
161.13228	1.0
165.12798	2.1
171.11710	0.6
173.13333	1.4
175.11238	2.2
175.14833	1.0
176.19507	0.6
189.16374	5.6
193.12257	1.9
199.14830	4.8
207.17458	5.9
217.15872	6.2
235.16927	47.3
246.13991	1.2
267.15997	0.8
267.16879	1.0
267.19424	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	267.1956
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03950	4.8
55.05511	35.4
55.61723	3.2
56.96566	14.2
57.03429	13.3
57.07059	4.1
59.12513	3.5
62.61648	2.7
64.84199	3.0
65.03925	3.8
65.46727	3.1
67.05506	85.0
69.03446	4.2
69.07068	21.2
69.61755	8.3
69.62167	11.6
71.05013	7.6
76.09728	3.5
79.05071	6.5
79.05494	82.6
81.03425	26.1
81.07058	97.3
81.07533	5.5
83.04997	11.2
83.08620	19.6
85.06532	8.3
85.15942	3.3
91.05482	74.3
93.07047	100.0
93.07645	5.1
95.04990	22.1
95.08607	66.3
97.06533	9.1
97.10178	13.6
98.21114	10.4
98.97577	3.9
99.08113	3.4
105.07033	37.7
107.04948	6.4
107.08585	73.7
109.06538	8.7
109.10156	27.7
111.08090	9.4
112.99152	4.1
117.07026	21.6
119.08574	48.1
121.06551	3.3
121.10149	86.2
123.08051	16.5
123.11743	3.2
125.09672	5.6
129.06999	10.9
131.08586	35.7
133.10149	35.8
135.08052	16.3
135.11728	16.7
137.09616	10.6
143.08545	7.5
145.10138	12.7
147.08043	4.4
147.11694	15.1
149.09590	6.4
157.10155	15.4
161.13242	4.2
171.11708	7.4
173.13278	6.1
175.14833	11.9
175.59750	3.1
189.16399	25.6
193.12267	8.9
199.14793	23.1
204.54602	3.5
207.17412	8.7
217.15919	16.5
235.16914	44.7
244.09392	9.8
249.18568	5.0
267.08801	5.6
267.13617	3.9
267.15668	15.1
285.10117	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	267.1956
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03938	1.8
53.67479	0.9
54.75494	1.0
55.01869	2.5
55.05513	11.6
57.03443	4.5
57.07069	1.5
59.52522	0.8
62.97949	0.9
64.57691	0.8
65.03946	1.3
66.04742	0.9
67.05182	1.2
67.05510	15.0
69.03427	2.9
69.07066	7.3
69.33198	4.8
69.33612	2.4
71.04980	2.6
79.05500	30.1
80.52959	0.9
81.03421	5.7
81.07059	100.0
83.04971	2.1
83.08617	8.0
85.06538	1.7
90.90935	1.1
91.05481	10.8
93.07050	16.2
95.04951	3.5
95.08607	16.1
97.06511	1.7
97.10182	5.4
98.98473	3.2
99.08074	2.0
105.07025	9.9
107.08601	24.0
109.06522	67.8
109.10165	7.7
111.08089	3.5
117.07003	2.6
119.07789	0.6
119.08585	17.6
121.06470	1.7
121.10133	10.5
121.88120	1.0
123.08067	8.6
123.11731	1.0
125.09614	7.2
127.07616	0.9
129.07005	2.5
131.08582	3.4
133.10146	12.0
135.08070	4.4
135.11684	3.2
137.09602	2.7
143.08574	2.4
145.10094	1.3
147.08051	1.9
147.11681	5.2
149.09601	1.0
151.11180	1.0
153.09106	3.8
157.10165	5.0
161.09595	1.7
161.13269	1.9
165.11186	0.8
171.10208	1.5
171.11726	1.3
173.13203	1.9
175.11171	2.4
175.14836	6.0
179.14301	2.2
189.12752	1.3
189.16399	7.8
193.12230	1.7
199.14804	9.2
203.12746	5.9
207.17462	3.0
217.15860	6.3
235.16939	74.3
267.15778	5.3
267.19543	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03942	3.0
55.01880	1.3
55.05515	7.3
56.96564	0.6
57.03152	1.1
57.03440	21.1
57.07064	0.7
60.79795	0.5
65.03938	0.9
67.05508	13.4
69.03438	2.6
69.07072	3.3
71.01371	0.6
71.04998	1.3
71.53156	0.8
79.05498	13.1
81.03423	100.0
81.06590	0.8
81.07059	12.9
83.04987	6.6
83.08625	16.4
83.09129	0.8
84.81313	0.5
85.02881	0.8
85.06568	1.4
88.52364	0.7
91.05487	18.4
91.63707	0.5
93.07047	10.8
95.04971	22.6
95.08608	5.3
95.87690	0.5
97.02903	3.3
97.06553	2.4
97.10187	1.7
98.97620	0.6
105.07039	14.5
107.04967	5.1
107.08602	4.4
109.06525	3.3
109.10155	2.0
111.04438	1.7
111.08097	7.0
115.05477	1.3
117.07018	2.0
119.04963	0.6
119.08582	13.5
120.08040	0.7
121.06522	2.5
121.10149	5.8
123.08063	2.3
123.11657	0.8
125.09669	0.7
129.07011	9.2
131.08574	8.6
133.06479	2.8
133.10135	5.4
135.08066	0.7
135.11726	0.6
137.09592	1.7
142.07806	3.0
143.08656	0.6
145.06506	0.6
145.10150	1.5
147.08064	2.5
147.11690	8.1
149.09634	4.8
151.07637	0.7
155.08453	0.5
157.10136	10.0
159.42227	0.5
163.11189	1.3
165.12785	3.5
174.00241	0.5
175.11179	11.0
175.12560	0.9
193.12250	22.8
195.51462	0.5
203.14508	0.6
205.12265	1.2
211.13271	3.2
213.12556	0.5
223.97925	0.5
228.13808	0.9
237.14474	2.2
246.14923	4.8
246.65106	1.6
249.14903	1.8
267.15921	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1955
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03938	1.4
55.01873	1.7
55.05510	4.0
56.96567	1.0
57.03432	0.7
57.07088	1.7
65.03939	0.7
67.05506	15.8
69.03429	100.0
69.07070	6.7
70.98486	1.6
71.05006	1.6
79.05490	10.4
81.03420	2.0
81.07053	20.9
83.04996	1.8
83.08618	3.2
85.06547	1.7
91.05479	14.6
91.06019	1.1
93.07046	16.5
94.57205	0.9
95.04965	2.0
95.08610	12.1
97.06531	9.6
97.10180	1.6
98.98466	28.4
99.08066	0.9
105.07039	11.3
107.08590	11.2
109.06531	4.5
109.10145	8.3
111.04452	1.6
111.08110	1.6
111.11696	0.8
117.07044	2.8
119.08590	7.6
121.06516	1.0
121.10123	8.6
123.08043	4.7
123.11729	2.7
125.09692	0.8
129.07022	1.4
131.08574	4.5
133.10126	21.7
133.11104	1.4
134.74446	0.7
135.08044	1.0
135.11740	1.4
136.19504	0.9
137.09656	4.7
139.11212	1.7
143.08632	1.3
145.10188	1.8
147.08025	1.0
147.11703	4.5
149.09642	3.0
149.13261	2.7
151.11157	6.6
152.18640	0.7
155.04718	3.1
157.10115	2.2
161.09660	0.9
161.13373	1.0
165.12782	1.3
171.11717	0.9
175.11266	2.4
175.14815	1.8
189.16383	5.6
193.12254	1.8
199.14772	5.7
207.17398	4.4
211.02882	0.7
211.11124	1.0
217.15907	6.9
235.16925	39.0
244.09541	0.9
253.11153	0.8
262.10553	0.9
267.17145	0.9
267.19437	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03946	2.6
53.93201	0.6
55.01870	1.9
55.05518	6.1
57.03440	21.7
65.03938	1.0
67.05505	12.8
69.03435	2.5
69.07072	3.5
69.27890	1.3
69.28287	4.9
71.05000	1.9
72.80593	0.6
79.05500	14.8
81.03420	100.0
81.07055	14.6
83.04987	5.0
83.08624	15.3
91.04906	0.9
91.05484	19.1
93.07050	8.7
95.04966	20.7
95.08605	6.1
97.02881	1.7
97.06551	1.9
97.10159	2.3
97.65553	0.6
98.97604	1.4
103.05568	0.7
105.07034	13.8
107.04957	5.9
107.08600	4.6
109.06522	3.7
109.10174	1.2
111.04465	0.8
111.08073	6.1
112.99174	0.6
113.06045	0.7
115.05463	0.9
117.07018	1.7
119.04984	0.7
119.08588	12.6
120.23441	0.6
121.06510	2.1
121.10130	5.7
123.08078	2.5
123.11726	0.9
129.07025	8.0
131.08566	7.2
132.23332	0.6
133.06497	3.2
133.10120	3.8
135.04463	0.6
137.06079	0.7
137.09604	0.9
142.07809	2.2
143.08514	0.8
145.10132	1.7
147.08029	2.5
147.11693	8.6
149.09618	4.0
151.11316	0.6
157.10129	9.3
158.99774	0.6
162.03146	1.5
163.03900	0.9
165.12732	2.8
173.10928	0.6
175.11194	9.8
190.02644	1.8
193.10449	1.1
193.12253	22.6
208.03682	2.0
211.13304	4.1
223.05995	10.6
237.14966	0.7
243.08870	1.4
249.14931	1.7
267.08670	6.9
267.15924	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	267.1341
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05037	18.0
56.96559	1.0
57.03444	3.5
58.06608	3.7
59.80779	0.5
69.03429	1.0
69.07073	0.9
70.06596	0.5
70.44866	0.5
70.45212	1.6
74.06081	100.0
78.52473	0.6
79.05476	0.6
79.38720	0.6
81.07069	0.7
84.04513	3.3
84.08142	0.9
85.02892	3.3
87.08104	3.3
91.05483	2.1
93.07061	0.5
97.02892	1.1
98.97582	1.1
101.07129	1.0
103.05447	2.6
107.04944	1.0
120.08106	55.5
121.06527	0.9
127.03913	0.7
131.04941	2.4
136.06241	2.5
145.04991	0.7
149.05986	0.9
152.05679	3.5
153.04147	0.6
153.05986	2.2
158.09767	0.7
166.08643	43.8
176.10693	1.1
177.10370	0.6
203.11809	1.9
209.81523	0.6
215.79414	0.5
220.41833	0.5
221.12880	7.7
249.12399	6.1
267.08752	0.8
267.13388	19.6
285.85461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03942	3.0
54.58466	1.2
55.01871	1.2
55.05513	8.0
57.03440	18.0
57.07059	1.4
67.05503	11.4
69.03439	1.6
69.07063	3.4
69.65244	6.2
71.05007	1.5
79.05496	11.1
81.03425	100.0
81.07060	11.2
81.43304	1.0
83.04981	6.4
83.08632	12.6
91.05485	18.2
91.53363	0.9
93.07031	6.7
95.04983	20.5
95.08606	7.1
97.02889	2.1
97.06561	1.2
97.10130	2.0
98.21497	1.9
98.98456	1.6
105.07038	12.4
107.04952	5.3
107.08582	4.1
109.06527	3.8
109.10159	2.0
111.08091	6.0
113.06109	1.0
117.07043	1.3
117.96087	1.0
119.08603	11.6
121.06526	2.5
121.10139	3.3
122.74593	1.0
123.08058	1.4
129.07021	7.7
131.08568	6.6
133.06465	2.4
133.10143	3.5
137.09621	1.9
142.07759	2.4
145.10124	2.0
147.08096	2.9
147.11682	5.7
149.09624	4.6
150.60960	1.2
151.37585	1.1
157.10135	10.4
165.12753	2.0
175.11218	8.4
176.89328	1.1
193.12251	21.1
201.57568	1.1
211.13326	3.0
249.14946	1.7
256.63464	0.9
267.15952	60.5
278.51541	1.1
287.25687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09498	0.3
51.88620	0.3
53.03944	0.4
54.13765	0.3
55.01866	0.8
55.05512	4.9
56.96346	0.3
56.96568	3.9
57.03423	1.3
57.07059	0.9
67.05191	0.3
67.05508	3.5
69.03436	2.5
69.07063	2.1
70.06561	0.4
71.24541	0.4
79.05496	3.4
81.03421	3.0
81.07055	5.3
83.04961	1.5
83.08619	3.4
84.96043	0.6
85.02892	0.4
85.06551	0.6
87.04445	0.4
91.05082	0.3
91.05487	2.9
93.07042	3.5
95.04976	1.7
95.08604	3.7
97.02885	0.3
97.06520	1.0
97.10134	0.8
98.06037	1.0
98.09682	0.7
98.97588	3.8
99.04434	0.5
99.08088	0.4
100.11256	12.4
101.05959	0.4
105.07044	3.8
105.39221	0.3
107.04955	0.6
107.08596	2.8
109.06510	0.7
109.10148	1.9
110.97517	0.3
111.04449	0.5
111.08047	0.4
112.07603	0.3
114.09113	0.4
116.98624	0.9
117.06993	0.7
117.13889	1.2
119.08584	2.6
120.08099	0.4
121.02824	0.4
121.06464	0.5
121.10143	1.9
123.08056	0.9
123.11702	0.8
125.09595	1.0
126.09138	1.0
127.00690	0.3
128.06238	0.3
129.07002	0.9
131.08534	1.4
133.06450	0.6
133.10153	1.9
135.08041	0.7
135.11673	0.8
136.06122	0.6
137.09576	0.5
137.13213	0.3
139.00644	0.5
142.07747	0.6
143.08543	0.8
143.11777	0.6
145.10109	1.2
147.08051	1.0
147.11671	1.3
151.07515	0.4
153.02278	0.4
155.08585	0.5
157.10153	2.2
158.99684	0.9
159.11678	0.7
161.09633	0.7
165.09059	0.6
167.08455	0.4
168.13812	3.0
169.10072	1.1
171.03265	0.3
171.11659	0.5
171.17273	0.3
173.13269	0.7
175.11188	0.7
175.14911	0.5
177.00774	0.5
181.46207	0.3
182.15379	1.4
183.11691	1.3
185.04836	1.2
185.06363	0.3
185.13281	0.7
185.16505	6.2
189.12772	0.4
189.16507	0.4
193.08388	3.2
193.12213	1.1
195.11630	0.4
197.13232	1.1
197.89342	0.3
199.06346	0.4
199.14943	0.4
199.18066	1.5
203.05975	1.0
203.88484	0.4
207.10156	0.8
209.07855	12.3
211.14806	0.9
223.06349	0.3
225.11145	0.8
225.16168	0.9
231.06993	0.4
231.13765	0.6
231.17502	0.4
235.09438	0.5
239.17836	0.4
246.10023	0.4
247.10144	0.4
249.08043	0.9
249.10973	4.4
249.14844	0.7
249.18422	0.7
267.09149	8.6
267.12006	100.0
267.20822	14.2
268.12500	0.7
285.10092	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	266.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
56.96590	0.4
57.03456	0.5
59.05011	0.7
61.02934	1.5
65.43394	0.2
65.68226	0.3
69.07078	0.3
69.66441	1.3
70.06599	0.6
71.04987	1.9
71.08676	0.2
72.08158	0.4
79.05494	1.0
81.03432	0.8
81.07062	4.2
84.08149	0.3
85.02895	0.4
86.09714	1.1
91.05531	0.5
93.07048	0.3
94.04069	1.2
95.08591	0.4
98.97585	1.2
105.07047	0.4
107.08620	0.3
110.07087	0.3
113.09698	0.5
116.98619	0.3
117.03376	0.5
119.03560	2.5
120.08113	0.4
131.00206	0.2
133.10124	0.3
136.06195	100.0
137.04581	1.0
145.02855	0.9
145.10109	0.3
146.06013	0.6
148.59792	0.2
150.07732	0.5
153.09100	0.3
158.99652	0.3
164.29189	0.3
168.06554	0.4
177.05521	2.6
178.05765	0.3
193.83539	0.3
204.13919	0.4
208.06660	0.3
231.01651	0.3
234.13515	20.2
265.58557	0.9
266.16101	56.6
267.15878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47078	0.2
53.71567	0.1
61.53867	0.1
70.67210	0.4
82.99825	0.8
85.75884	0.1
98.97811	0.2
101.00887	5.7
107.39859	0.2
116.98878	0.2
119.01928	6.0
134.99876	0.4
137.02914	0.7
140.98827	1.7
153.00935	0.2
157.01990	0.2
158.99893	4.6
165.99606	0.2
175.03040	0.3
177.00961	14.5
182.99843	1.3
195.01933	0.2
199.03012	0.3
201.00919	3.7
201.02501	0.4
217.04105	2.9
219.02013	20.0
219.94452	0.4
220.02118	0.6
225.00864	2.5
225.02840	0.2
234.00700	0.4
242.03520	0.2
242.96286	0.5
243.01996	14.3
251.49304	0.2
261.03067	100.0
262.03244	1.1
263.03464	0.4
266.03317	0.3
275.04434	0.2
284.04639	1.6
284.69281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07241	1.1
53.03939	3.9
55.01859	1.1
55.05511	8.3
56.05017	1.3
56.96570	7.0
57.03429	4.6
57.07071	2.3
59.33463	1.0
61.02918	3.6
65.03934	1.3
67.05503	9.8
69.03439	9.8
69.07066	3.6
69.41864	2.9
69.42264	6.6
70.06589	6.6
71.04990	3.1
71.08626	4.6
72.08150	5.4
73.02918	1.8
73.63481	1.1
79.05504	7.4
81.03417	8.7
81.07062	21.7
83.04972	4.6
83.08631	6.0
84.04492	4.0
84.08137	3.6
85.02913	10.1
85.06531	3.1
86.09706	9.0
87.00829	85.3
91.05490	15.5
92.88599	1.0
93.07063	2.2
94.06585	2.5
95.04985	5.9
96.04487	1.9
97.02891	18.8
98.97588	9.6
99.04426	2.2
99.08086	9.7
101.06044	1.6
103.05456	2.4
105.01868	64.5
105.07039	2.8
107.08559	1.6
108.08115	5.9
109.02879	4.6
109.06507	15.2
110.06068	2.8
110.07165	4.2
112.08718	1.3
112.99131	3.7
116.98663	2.4
117.03378	2.9
117.09135	5.5
119.04929	1.7
120.08094	5.2
122.06041	4.6
122.09675	1.7
123.06765	2.2
127.03971	6.0
127.07555	30.4
129.10260	1.7
131.00198	2.7
136.06195	6.5
136.07576	1.4
136.60188	1.4
137.06073	1.2
138.05518	8.6
140.07045	8.1
145.02798	7.8
145.08600	7.9
150.05515	6.4
150.09128	10.2
151.06313	2.9
151.07541	2.0
152.07071	22.3
153.01833	1.5
156.07722	3.4
158.99681	3.1
162.07738	10.5
164.06999	1.3
166.08615	2.8
168.06557	18.3
169.04402	1.5
177.00726	1.7
177.05499	15.1
178.08620	33.2
185.08035	1.3
198.03458	1.6
202.12215	1.3
203.09232	5.7
206.08113	55.6
218.08081	3.2
219.01816	1.3
220.09706	1.9
220.13350	2.8
221.00163	1.4
231.08636	100.0
236.09166	1.5
237.02837	1.1
248.09203	7.3
248.12831	4.4
266.10217	4.4
266.14175	12.7
266.16864	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Quadrangulin A
Peak:m/z	Relative Intensity
53.03943	7.2
55.01876	4.7
55.05516	17.7
56.96565	5.9
57.03431	4.5
57.07086	2.8
60.83224	1.5
62.66727	1.6
65.03944	7.6
67.05510	80.9
67.26952	1.7
69.03451	2.8
69.07072	20.7
71.05001	4.6
71.54626	1.7
73.06578	3.2
79.05498	45.1
81.03424	96.6
81.07062	80.2
83.04975	9.6
83.08638	8.5
85.06548	9.1
91.05488	48.7
93.07047	36.4
95.04977	100.0
95.08612	47.4
97.06540	8.1
98.97561	2.4
99.08064	1.9
101.36853	1.6
103.05448	2.6
105.07040	43.1
107.04964	14.0
107.08597	21.4
109.06543	18.7
109.10175	26.1
111.08105	2.9
115.05439	1.8
115.07589	1.9
117.07034	17.2
119.08595	33.4
121.06510	25.0
121.10157	15.9
122.07212	2.7
123.04433	4.9
123.08084	9.1
123.11716	10.4
129.06995	10.3
130.07771	2.5
131.08582	58.5
133.06496	6.7
133.10143	12.0
135.08061	13.5
135.11702	5.1
136.93143	2.7
137.05986	2.6
137.09636	8.8
137.13278	1.9
141.07005	5.6
143.08577	5.9
145.06488	2.1
145.10136	22.5
147.08029	7.7
147.11717	12.3
149.09631	7.7
149.13286	3.9
151.11160	1.7
154.94162	2.4
155.08597	6.3
157.10059	2.0
159.08112	3.5
159.11665	8.1
161.09599	2.6
161.13284	2.9
165.12758	4.6
169.10170	6.3
171.11674	13.8
172.95284	1.8
173.13283	14.3
177.12813	2.0
185.13234	2.7
187.11134	2.1
187.14845	20.5
188.06207	1.8
189.12750	2.3
197.13283	20.7
205.15829	9.1
209.15450	2.0
215.14336	24.5
228.97801	2.0
233.15381	61.3
247.16876	10.2
254.20035	1.5
265.11279	2.8
265.14355	4.7
265.18024	27.8
265.21609	12.0
283.12207	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83643	1.1
53.03939	1.2
55.05518	2.2
56.96551	4.4
57.03420	1.2
59.23946	1.0
67.05502	2.3
69.03426	2.7
69.19755	10.9
79.05486	4.0
81.03412	4.0
81.07048	3.1
83.04980	2.2
85.02903	1.9
85.06542	1.6
86.09760	1.1
87.04436	1.1
91.05486	6.1
93.07034	2.2
95.04964	1.1
95.08607	2.3
97.02882	2.9
97.06509	1.3
98.20792	1.7
98.97591	3.9
103.05469	4.6
105.07039	3.9
107.04963	3.2
107.08614	2.0
109.06525	1.0
109.10166	1.7
115.05463	19.8
117.07024	40.1
119.08579	4.5
121.02848	1.3
121.06556	1.5
121.10149	1.5
128.06230	3.7
129.07008	4.4
130.04146	3.2
131.04932	1.9
131.08577	3.8
133.10167	1.6
135.08049	2.0
135.11699	2.0
141.12280	1.0
143.04926	2.5
144.05710	3.1
145.06490	74.4
145.10085	1.8
147.04410	2.1
147.08080	4.3
155.06038	14.9
156.05698	16.9
157.06490	3.7
159.08087	3.8
160.05231	2.4
161.05959	3.7
161.07291	1.2
161.09599	1.4
167.07057	1.8
173.05995	100.0
173.13254	1.2
175.04016	2.1
175.07504	3.8
184.05180	2.4
187.07521	5.9
190.06262	36.7
191.03442	2.1
201.12622	1.2
202.06232	5.2
203.07034	14.0
204.04156	1.7
205.08615	87.7
217.08615	57.1
219.10193	2.1
233.29160	1.2
235.09691	7.6
247.09677	4.3
247.13321	1.8
265.07233	4.4
265.10873	2.9
265.14383	2.6
265.18066	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	265.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
56.96551	1.1
57.07048	0.7
67.05488	1.8
69.07047	0.7
69.33334	4.8
73.87251	0.5
79.05490	1.2
81.07051	2.5
85.06541	0.9
86.27648	0.6
91.05455	1.4
93.07041	0.8
95.04975	1.1
95.08601	2.8
98.21545	1.1
101.06027	0.5
105.07027	1.0
107.04920	0.8
109.06490	0.8
109.10174	1.9
119.08578	0.9
122.07166	0.8
123.08060	0.7
123.11709	0.6
125.09664	0.6
131.08626	0.7
133.10120	1.3
137.37421	0.5
137.91029	0.5
155.10741	0.9
173.13197	0.5
198.90448	0.6
220.60809	0.6
237.73193	0.5
240.10048	0.6
247.17000	0.7
258.44452	0.6
265.14130	100.0
266.14279	0.9
273.69485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70457	0.5
55.05505	1.2
56.96558	1.4
59.22112	0.5
67.05521	2.7
69.07057	0.9
69.29628	3.5
72.18414	0.5
79.05489	1.1
81.03397	0.9
81.07069	3.2
83.04993	0.7
85.06542	1.9
91.05470	1.2
93.07018	1.3
94.78874	0.6
95.04947	0.9
95.08606	1.9
97.06524	0.6
98.21602	0.9
98.97565	0.7
105.07029	1.4
107.04926	0.6
107.08569	0.9
109.06538	1.6
109.10155	1.3
112.11275	0.5
117.06938	0.5
119.08578	0.9
122.07189	1.2
123.08135	0.6
123.11744	0.5
131.08578	1.0
133.10138	1.1
145.10153	0.6
154.94179	0.5
163.11212	0.7
174.40341	0.5
191.01921	0.5
191.10645	0.5
233.15498	0.5
247.16902	0.6
261.44244	0.5
265.14130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.4
56.05043	1.5
56.96569	100.0
57.03437	1.3
60.04538	0.9
61.02927	1.5
67.05492	2.7
68.05030	1.7
69.03426	2.3
69.07063	1.7
70.06580	4.2
71.05001	1.1
71.52129	1.5
71.95264	2.4
72.08141	3.6
72.96039	4.9
73.02902	2.3
73.06557	1.9
74.97623	0.8
76.66956	0.8
79.05491	1.1
81.03410	1.0
81.07044	2.3
83.97620	3.4
84.04506	13.1
84.08154	3.9
85.02903	7.4
86.09688	3.0
87.04452	0.8
91.05490	1.4
93.07010	0.9
95.04998	0.8
95.08616	1.1
96.04507	1.4
97.02874	2.9
97.06516	1.1
97.43799	0.8
97.99135	0.8
98.97594	22.3
100.07634	0.8
101.05991	1.3
102.05569	2.1
109.02869	0.9
110.07160	2.1
110.09701	6.4
110.97536	1.0
112.99123	3.9
114.05543	4.4
116.98622	9.2
119.01930	1.0
120.08082	0.9
120.62794	0.8
121.02876	2.3
122.07118	1.0
124.11133	0.9
127.03940	1.5
128.98660	1.0
129.10217	1.7
130.05002	6.5
131.00177	2.8
134.99640	2.8
136.07559	1.5
138.09164	4.2
142.04997	5.8
142.08623	0.9
142.12273	1.6
143.00111	1.2
144.96837	2.2
145.04979	1.0
147.05678	1.0
149.01225	2.4
149.02705	1.9
149.06631	0.8
155.04613	2.2
155.05753	0.9
156.10214	4.9
161.02950	1.7
162.03050	1.2
162.05379	1.8
163.00702	1.0
163.03922	4.5
165.02271	2.7
167.03815	1.2
169.01755	1.1
174.05466	1.4
176.03838	14.2
177.00766	1.9
177.02228	1.3
178.05391	11.0
179.00177	1.4
179.03633	1.1
181.01685	3.1
182.03424	1.3
183.03343	7.5
184.09642	4.5
185.01259	0.9
188.09154	1.1
189.00697	0.9
190.01688	2.3
192.03343	2.2
194.04939	7.3
196.06494	7.0
197.01215	2.8
201.04324	6.0
201.78795	0.8
202.10760	39.2
204.03252	8.8
208.02821	9.4
210.04295	2.4
222.04404	89.2
223.01454	1.1
226.03899	4.2
237.02789	1.4
238.12883	0.8
240.05449	70.4
245.05885	3.5
246.13388	2.2
263.06973	1.5
264.05463	31.0
264.08444	1.3
264.12057	1.0
264.14465	1.9
264.17026	1.4
264.23853	0.9
282.06433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	2.3
55.05267	1.4
55.05514	16.4
57.03423	1.5
57.07082	13.7
59.04979	1.3
60.74223	0.7
61.88754	0.7
65.03950	2.1
67.05509	83.1
69.03423	1.5
69.06738	1.1
69.07076	17.7
69.27921	1.4
69.28333	6.0
71.04981	1.6
71.08638	5.7
78.60850	0.9
79.05079	1.6
79.05500	23.3
81.07063	100.0
83.04983	2.1
83.08631	13.8
83.76550	0.9
85.02865	0.9
85.06532	4.3
85.10178	3.6
91.05486	17.2
93.06489	1.7
93.07049	24.3
95.04966	1.9
95.08614	87.6
97.06542	8.2
97.10162	6.5
99.08109	5.1
104.78768	0.8
105.07044	11.4
107.08603	15.3
109.02851	0.8
109.06512	1.3
109.10168	46.1
111.08096	4.0
111.11751	2.0
113.09646	3.7
119.08605	11.3
121.10149	19.0
121.11052	1.2
123.08103	2.1
123.11713	17.3
125.09632	1.2
127.11175	1.8
133.10133	14.0
135.11711	10.3
137.09567	1.7
137.13237	8.3
139.11143	0.9
141.12698	2.3
147.11684	10.1
149.13266	8.5
151.14828	8.5
155.14340	1.3
161.13266	12.5
163.14833	8.5
165.16402	10.7
170.24658	0.9
175.14865	6.7
177.16447	2.1
179.17879	4.2
181.15866	1.0
189.16414	4.7
203.14957	0.8
203.17906	2.2
217.19498	1.8
219.20816	1.0
234.85094	0.9
245.22670	36.6
263.14673	1.7
263.23715	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	2.2
55.05514	13.7
56.96555	1.1
57.03435	2.3
57.07079	11.0
57.60253	0.7
65.03942	2.7
67.05508	85.4
69.03386	0.8
69.07071	17.9
69.83766	2.9
71.04991	2.2
71.08638	7.9
76.47578	0.8
79.05495	20.9
81.07059	100.0
83.04971	2.2
83.08624	15.8
85.06540	4.8
85.10187	3.5
91.05482	17.7
93.07046	21.2
95.04985	2.1
95.08611	84.1
97.06535	7.8
97.10175	7.8
99.08096	6.0
104.99281	3.1
105.07034	12.5
107.08596	15.6
109.06516	1.6
109.10159	43.5
111.08088	5.1
111.11753	1.3
113.09653	2.3
113.84055	0.6
117.06989	1.1
119.08582	12.0
121.10148	19.2
123.08087	2.1
123.11710	18.7
125.09628	1.5
127.11211	2.1
133.10143	15.4
135.11710	11.6
137.09607	2.2
137.13255	9.1
141.12753	2.0
147.11703	10.9
149.13271	9.3
151.11212	1.7
151.14824	8.9
155.14330	3.0
161.13280	10.8
163.14832	8.5
165.16396	11.5
174.06982	0.7
175.14830	10.2
175.37053	0.6
177.16351	1.3
179.17947	4.5
181.15933	1.2
189.16370	3.8
199.06419	1.8
203.17950	1.9
207.17487	0.7
217.07503	1.5
217.15936	2.5
217.19545	1.7
245.22661	40.1
263.23712	93.4
270.46802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2008
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.19329	1.6
51.81749	1.6
52.56224	1.5
53.03942	3.8
55.05518	25.1
56.96554	6.6
57.07056	2.3
65.03935	2.6
67.05507	31.2
69.03432	5.4
69.07075	12.2
71.04980	3.9
71.54210	3.0
73.39870	1.5
79.05495	84.2
81.03404	2.9
81.07061	34.6
83.04974	2.1
83.08617	17.3
85.02895	2.0
85.06541	3.0
86.46156	1.6
91.05478	28.4
93.07048	100.0
95.04981	5.8
95.08608	36.4
95.11304	1.8
97.06523	3.8
97.10167	5.1
101.05988	2.0
103.09430	1.7
104.99279	64.9
105.04549	1.8
105.07033	24.8
107.04980	3.1
107.08601	70.7
109.06506	8.8
109.10168	16.6
111.08064	4.0
117.07029	4.7
119.08593	21.9
121.06490	3.0
121.10147	78.6
123.11683	1.7
125.09662	3.0
129.07042	2.2
131.08585	5.9
133.06483	2.7
133.10139	17.6
134.67751	1.7
135.08069	4.1
135.11693	39.5
141.64912	1.8
143.08519	3.5
145.06393	1.7
145.10165	4.7
147.11711	7.6
149.09627	3.4
149.13237	12.3
149.62057	1.6
151.11223	2.8
153.12753	3.9
157.10112	4.6
159.11711	4.7
161.09528	2.4
161.13293	5.7
162.83629	1.7
163.11159	1.9
167.10680	3.1
171.11714	3.8
183.04411	1.7
185.13287	4.2
195.13861	4.3
199.06459	4.2
199.14812	3.8
207.13809	3.7
221.15324	4.1
245.15291	3.1
245.19003	5.4
262.98044	2.0
263.06598	1.7
263.09344	4.9
263.16541	12.1
263.20102	87.1
272.67709	2.0
281.10635	7.3
282.44336	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
50.83223	1.3
51.84591	1.2
53.03935	4.7
55.01874	34.9
55.05512	21.4
56.96558	4.0
57.03443	1.9
57.07067	4.4
58.15968	1.2
59.05005	1.2
65.03945	2.8
67.05507	49.3
69.03420	2.6
69.07069	35.1
69.71947	3.2
69.72356	4.6
71.04977	4.1
71.08630	2.1
73.06551	2.1
79.05496	68.0
81.03428	2.7
81.07062	68.0
83.04979	7.5
83.08624	13.2
85.02909	2.1
85.06539	5.8
89.61115	1.2
91.05483	41.8
93.07048	85.0
94.07352	2.0
95.04968	9.4
95.08611	44.5
97.02872	1.5
97.06535	55.6
97.10168	4.6
98.60486	1.3
99.08072	3.5
101.06024	2.6
104.99281	20.4
105.04550	1.2
105.07039	33.3
107.04964	2.6
107.08598	54.6
109.06517	4.4
109.10159	23.2
111.08091	3.7
115.07627	2.4
117.07011	5.9
119.08583	24.6
121.06467	2.0
121.10148	49.6
123.08072	5.8
123.11693	10.2
125.09647	6.1
129.06999	5.4
131.08580	8.2
133.09126	2.0
133.10130	41.7
135.08064	5.5
135.11697	35.3
137.09612	4.5
137.13266	2.6
143.08577	3.9
145.10158	8.9
147.08008	2.1
147.11691	27.5
149.09633	7.1
149.13260	13.6
151.11186	7.1
157.10135	7.1
159.11710	3.6
161.02869	1.4
161.09639	4.0
161.13257	7.1
163.11162	2.3
163.14853	2.2
165.12793	2.3
171.11665	9.6
173.13344	2.1
175.11198	5.4
175.14780	1.3
176.15721	1.3
181.12312	1.5
185.13283	4.0
187.14876	3.6
189.12711	2.5
189.16426	12.4
193.12274	2.7
203.14348	4.1
203.17952	5.4
205.15950	1.9
207.13835	2.4
213.16370	11.1
217.19565	3.2
224.14545	1.4
227.17946	2.2
231.17442	11.8
235.20622	4.5
245.19028	3.8
245.22409	2.5
263.09235	1.4
263.20099	100.0
263.23431	11.3
281.10538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1644
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
50.83322	1.8
53.03950	3.7
55.01859	7.8
55.05513	43.4
56.96561	8.7
57.03428	2.1
57.07069	1.9
59.32560	2.0
64.13201	1.8
65.03912	2.1
67.05508	14.6
69.03422	3.5
69.07049	8.5
71.04999	4.1
71.53616	2.3
71.54021	3.2
79.05497	20.5
81.03398	2.8
81.07059	38.3
83.04974	5.8
83.08623	100.0
85.02902	2.3
91.05492	19.3
93.07046	27.6
94.04197	3.4
95.04997	16.0
95.08627	16.4
97.06546	11.1
98.97612	2.4
104.99282	49.1
105.07043	12.5
105.59927	2.0
107.04952	7.7
107.08598	39.0
109.06522	72.5
109.10143	7.6
111.08106	12.6
113.09595	2.3
117.07020	5.4
119.04923	5.8
119.08582	11.5
121.06509	4.2
121.10171	14.2
123.08081	9.7
123.11696	2.3
125.09628	12.5
129.07025	5.1
131.08604	4.1
133.10100	5.4
135.08040	2.6
135.11667	5.7
136.93114	2.1
137.05949	18.9
137.09637	4.7
139.11128	14.3
143.08574	7.0
145.10109	5.9
147.05852	2.3
147.08080	4.3
147.11720	4.8
149.09592	4.4
151.11165	1.8
153.09091	7.8
154.94156	2.3
157.10107	3.8
159.11655	10.8
161.02943	2.6
161.09602	4.3
161.13297	3.3
163.11183	3.7
168.95732	6.7
177.12830	2.7
181.12227	13.9
185.13239	2.4
186.96831	9.5
187.11168	7.4
189.05580	2.4
199.06435	5.4
203.14355	11.2
204.97856	3.6
205.12206	13.4
217.00142	2.2
221.13333	3.4
221.15326	19.2
242.99423	4.3
245.15378	5.7
252.19440	2.0
262.98135	3.0
263.12485	2.8
263.16464	22.6
263.20200	13.4
277.21829	2.5
281.10535	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	263.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84984	16.4
81.99559	6.6
101.00894	19.5
118.08643	18.7
119.01940	8.6
133.03387	7.8
143.01884	38.5
155.01913	9.7
158.33441	6.2
158.96518	6.9
161.02969	27.8
173.02969	9.9
231.37354	6.9
260.12082	6.8
263.01660	100.0
263.05365	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39391	1.0
66.58813	0.9
82.99851	2.6
86.99345	1.1
94.66792	1.1
101.00880	15.9
104.66368	0.9
107.60686	1.0
112.89613	100.0
113.00896	3.8
114.89343	56.4
119.01910	12.9
131.01869	5.1
143.01906	32.7
145.03427	1.5
149.43924	1.1
155.01920	3.9
157.03468	2.7
161.02966	48.5
164.52539	1.0
167.01828	1.2
173.02937	8.2
184.04636	1.1
185.02896	2.2
191.04041	5.3
203.04027	20.4
221.05067	3.4
226.86824	1.5
239.05916	1.5
262.95227	1.1
263.06122	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	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
51.49992	0.3
55.05518	0.4
56.96567	0.7
57.07082	2.9
58.06609	0.4
67.05492	0.3
69.03427	0.5
69.07043	0.3
70.06599	7.8
70.32387	1.3
71.08630	2.3
79.05514	0.3
79.57642	0.3
81.07059	0.8
83.04990	0.6
84.08143	1.1
84.68620	0.3
85.02889	0.5
86.09689	0.4
87.04476	27.1
88.07639	8.7
91.05482	0.6
93.07051	0.4
97.06534	0.6
98.97581	1.6
100.82750	0.4
104.55213	0.4
105.07036	0.7
106.08656	1.0
107.08588	0.4
109.10175	0.4
112.08754	0.3
112.94978	0.4
114.09170	3.5
117.07052	0.4
118.06547	9.6
118.08673	0.7
119.08572	0.8
120.08133	0.4
121.06562	0.5
121.10173	0.4
131.08553	0.5
132.08122	3.7
132.09186	0.7
132.10217	12.8
133.08884	2.1
134.09618	0.7
145.10117	0.5
146.09627	2.9
147.10455	0.4
150.11264	12.3
156.43761	0.4
158.99696	0.5
176.14359	64.6
186.18552	1.1
200.20108	0.9
218.09949	0.4
218.21147	4.4
241.07123	0.4
245.13852	0.6
262.18045	100.0
262.23798	66.7
263.18561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04827	11.9
69.42198	95.6
98.20808	29.2
105.41489	11.8
108.78928	11.3
140.13275	11.9
144.25720	12.0
161.81419	10.6
259.98926	12.5
263.01590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
53.94809	0.3
55.01874	0.6
55.05514	59.8
55.38568	0.4
56.96572	0.6
57.98807	1.0
58.99589	37.0
59.15683	0.3
61.01150	1.2
63.99683	0.3
65.01971	0.3
67.05488	0.3
69.07066	0.4
70.00121	0.3
70.91951	0.7
72.08158	0.4
73.01147	3.8
76.04006	6.2
83.08623	38.2
84.04500	0.5
84.08164	0.6
85.02906	0.5
86.09695	0.5
86.99055	27.8
88.02219	6.6
98.97567	0.6
101.09648	1.8
115.05770	0.6
116.01681	91.3
120.08124	1.1
130.05019	1.3
136.85509	0.3
140.07018	0.3
144.01152	45.3
159.08328	0.6
162.02208	100.0
242.07953	0.4
244.10110	0.5
262.11014	2.4
262.14114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1651
Annotation	3-hydroxyvalerylcarnitine
Peak:m/z	Relative Intensity
51.10837	0.2
51.80548	0.2
55.05504	0.3
57.03434	1.0
58.06609	0.8
59.04707	0.5
59.05001	8.7
59.07405	0.8
60.08168	8.3
70.88480	0.6
83.04955	0.4
84.08163	0.6
85.02908	100.0
101.06021	0.4
103.03970	0.8
128.54445	0.3
129.07845	0.3
136.06218	0.3
144.10201	3.0
145.04964	12.4
152.99767	0.3
183.62074	0.3
185.08058	2.0
203.09193	0.6
204.12312	0.7
225.85878	0.3
262.16513	64.6
263.16931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02397	0.7
53.03934	1.4
55.01877	0.9
55.05515	8.3
57.03437	1.0
57.07085	3.0
65.03942	0.7
67.05507	29.2
69.07069	8.7
71.05020	1.1
71.08620	1.3
71.95900	0.6
77.03931	0.8
79.05497	32.9
79.79491	0.6
81.07059	32.5
83.04981	1.5
83.08624	5.3
85.06537	2.3
91.05486	18.2
93.07050	47.9
95.04967	2.6
95.08614	24.1
95.09129	0.4
95.09245	0.6
95.55004	0.5
97.06562	1.6
97.10188	1.4
99.08106	3.3
105.06319	0.6
105.07039	13.7
107.08599	32.0
108.58932	0.6
109.06541	1.1
109.10162	9.5
111.08067	2.1
113.09612	0.6
117.07009	3.9
119.08588	11.0
121.10154	28.5
123.08051	1.2
123.11706	2.9
125.09621	1.4
131.08569	10.6
133.10132	9.2
135.11700	23.9
135.12737	1.2
137.09630	1.0
137.13289	1.0
139.11200	0.8
145.10124	10.3
147.11684	8.8
149.09654	1.0
149.13272	19.6
151.11246	1.1
153.12724	0.7
159.11691	7.1
161.13272	8.2
163.11200	0.6
163.14839	16.8
173.13284	7.4
175.14839	3.5
177.16428	4.1
179.14326	1.4
187.14807	4.6
189.16435	1.1
191.14362	0.8
201.16347	2.6
215.17963	1.4
217.19453	0.7
228.10738	0.6
233.22591	1.4
243.21092	23.3
261.22144	100.0
278.26865	0.7
279.42865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03928	2.5
55.05511	9.3
57.07060	4.3
67.05189	1.8
67.05511	25.8
69.07071	9.6
71.04981	2.3
71.08617	3.1
71.54894	1.8
79.05495	36.2
81.06602	1.7
81.07062	33.1
83.04964	1.9
83.08628	6.7
85.06544	2.9
85.10150	1.7
91.05486	19.7
91.53323	1.1
93.07044	44.5
95.04964	3.9
95.07986	1.5
95.08608	26.5
96.94029	1.0
97.06522	5.6
99.08073	3.7
105.07037	16.5
107.08591	30.1
109.06504	2.4
109.10168	11.3
111.08071	3.9
117.07022	7.9
119.08580	11.2
121.09334	1.8
121.10155	25.8
123.08041	2.0
123.11707	3.3
125.09592	1.2
129.06903	1.2
131.08574	19.9
133.10126	10.5
135.08104	2.1
135.11693	18.1
135.75087	1.0
137.09590	2.3
145.10144	17.4
147.11699	11.7
149.09630	2.0
149.13266	12.3
153.12738	1.4
159.11699	13.6
161.13274	12.5
163.11234	1.2
163.14804	12.5
165.12657	1.3
165.16380	1.0
173.13277	10.6
175.14874	5.7
177.16357	5.8
179.14320	2.2
187.14798	7.8
194.73267	1.0
201.16364	3.6
215.17970	2.6
215.45297	1.2
217.19527	4.0
233.22598	1.8
243.21094	52.6
261.13074	2.4
261.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.11073	0.3
51.02365	0.4
53.03942	1.6
55.01871	0.4
55.05507	8.3
55.40153	0.2
57.03437	1.1
57.07073	2.9
65.03936	1.3
67.05504	27.6
69.07066	9.2
69.27998	1.9
69.40474	0.3
71.04984	1.3
71.08622	0.8
77.03938	0.8
79.05491	36.5
81.03413	0.4
81.07054	34.7
83.04969	0.7
83.08619	5.2
85.06544	2.4
85.10196	0.3
91.05478	19.0
93.07042	51.4
95.04963	2.2
95.08606	25.3
96.15923	0.2
97.06541	2.4
97.10160	1.9
99.08096	2.9
103.05452	0.2
105.04545	0.7
105.06297	0.4
105.07030	13.1
107.08593	33.5
109.06528	0.9
109.10154	10.6
111.08095	2.2
111.11709	0.4
113.09653	1.2
117.07025	4.6
119.06051	0.3
119.07702	0.3
119.08582	10.8
121.10141	31.2
123.08112	1.1
123.11701	3.7
125.09640	0.8
127.11198	0.2
129.06946	0.5
130.07799	0.2
131.08566	10.8
133.10133	9.7
135.11690	25.0
137.09601	1.2
137.13229	1.2
139.11154	0.6
141.12662	0.3
143.08577	0.3
145.10126	10.8
147.11691	8.5
149.09630	0.6
149.13258	22.2
151.11206	0.7
151.14809	0.4
153.12794	0.7
159.11694	7.9
161.13258	9.7
161.26865	0.2
163.14815	15.5
165.12801	1.1
167.14241	0.3
173.13268	9.2
175.14821	3.1
177.12799	0.6
177.16391	4.1
179.14351	1.4
185.13361	0.3
187.14816	5.4
189.16458	0.8
191.14354	0.7
193.15956	0.3
201.16394	2.7
203.17996	0.4
205.15915	0.7
215.17924	1.5
217.19392	0.4
219.17386	0.6
233.22600	0.7
243.21080	26.5
261.22125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03948	2.4
55.01880	0.7
55.05513	9.4
57.03424	1.3
57.07079	3.4
65.03944	1.9
67.05506	30.8
69.07069	9.7
71.04988	1.7
71.08640	0.4
71.54633	0.6
77.03936	0.5
79.05494	41.9
81.07056	40.8
83.04980	1.2
83.08622	5.1
85.06535	3.3
91.04910	0.7
91.05482	21.4
93.07044	58.8
95.04954	1.8
95.08607	29.8
96.98303	0.4
97.06544	2.9
97.10193	2.2
99.08105	3.6
103.05463	0.4
105.04519	1.0
105.07029	13.6
107.04947	0.4
107.08596	35.9
109.06523	1.5
109.10156	11.4
111.08094	2.5
111.11736	0.8
113.09644	0.9
117.07005	5.6
119.06071	0.7
119.08583	12.4
119.53724	0.4
121.10146	32.2
123.08071	1.5
123.11700	3.3
125.09633	1.0
129.07016	0.4
130.32028	0.4
131.08572	11.6
133.10130	11.4
135.08047	1.0
135.11691	27.3
137.09624	1.8
137.13255	1.1
139.11221	0.9
144.09340	0.6
145.10129	11.5
147.11685	9.9
149.02385	0.5
149.09641	1.0
149.13261	22.4
151.11130	0.6
151.14777	0.7
152.62514	0.5
153.12819	0.6
159.11694	9.9
161.13257	9.3
163.11140	0.6
163.14819	19.2
165.12744	0.8
171.11720	0.4
173.13280	10.1
175.14833	4.0
177.16393	4.7
179.14256	1.3
187.14825	6.1
189.16298	0.4
201.16345	2.6
205.15877	0.8
215.17970	1.7
217.19511	0.6
219.17378	0.5
233.22652	1.1
243.21086	27.7
244.30182	0.4
261.22141	100.0
262.22366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03943	1.7
55.01875	0.5
55.05509	8.6
57.03425	0.9
57.07084	2.8
65.03944	1.3
66.76957	0.4
67.05505	28.9
69.07070	9.0
70.82315	0.8
71.04982	1.6
71.08632	0.7
77.03926	0.9
79.05492	41.4
81.07055	35.7
83.04984	1.0
83.08617	5.1
85.06541	3.0
90.85976	0.3
91.05482	21.2
93.07043	52.0
95.04962	2.6
95.08607	27.0
97.06536	2.5
97.10172	2.1
99.08080	3.0
105.04509	1.0
105.07032	13.0
107.08593	37.2
109.06519	1.0
109.10154	11.1
111.08092	2.6
111.11696	0.6
113.09642	1.2
115.05394	0.4
117.07015	5.3
119.06105	0.4
119.08584	12.1
121.10143	33.0
123.08065	1.0
123.11700	3.7
125.09583	0.7
131.08566	9.8
131.09534	0.6
133.10135	10.3
135.08072	0.6
135.11688	26.0
137.09618	1.5
137.13243	1.3
139.11200	0.8
143.08569	0.4
145.10121	12.1
147.11693	8.7
149.09662	0.6
149.13254	22.1
151.11206	0.6
152.37202	0.3
153.12761	0.5
159.11700	9.5
161.13261	10.3
163.11197	0.7
163.14818	18.3
165.12741	1.1
172.99016	0.5
173.13261	8.7
175.14836	3.9
177.12805	0.7
177.16402	5.5
179.14302	1.2
187.14816	6.0
189.16341	0.8
191.14433	0.5
201.16360	2.2
205.15935	0.5
215.18016	0.8
219.17497	0.8
233.22655	1.1
243.21086	28.4
261.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0308
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
56.96555	0.3
65.98993	0.1
71.05983	0.3
75.24902	0.1
82.99821	0.7
98.97592	2.1
101.00889	4.7
116.98652	1.0
119.01926	5.0
134.99788	0.5
137.02948	0.4
140.98824	1.1
158.99892	2.9
165.99672	0.3
169.57570	0.2
175.03082	0.3
177.00963	9.4
182.99861	1.3
199.03003	0.2
201.00961	3.7
217.04094	2.0
219.02017	15.6
225.00873	2.5
234.00610	0.2
237.98744	1.3
243.02010	14.5
261.03067	100.0
262.03250	1.3
263.03409	0.5
266.03574	0.3
279.00635	1.0
284.04669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.83188	0.2
56.96560	1.0
57.03436	0.3
57.07059	0.2
67.05492	0.8
69.07072	2.2
69.21155	0.4
69.21566	1.5
71.04998	0.2
77.03925	0.2
79.05489	0.5
81.03391	0.2
81.07053	0.6
83.08624	0.2
89.03926	0.5
91.05478	0.9
93.07024	0.6
93.60947	0.2
94.04183	0.2
95.08627	0.5
97.89120	0.2
98.20795	0.5
98.97575	0.5
99.08157	0.2
101.21085	0.2
105.03399	0.6
105.07027	0.8
105.97134	0.2
107.04943	0.5
107.08577	0.5
109.10178	0.3
117.03323	0.3
117.07076	0.2
119.08566	0.8
121.10126	0.3
122.03661	2.2
123.08109	0.2
128.98639	0.2
131.00191	0.2
131.08583	0.6
133.02859	23.8
133.10114	0.4
134.03665	0.2
135.04399	0.2
135.08049	0.3
137.05988	6.2
137.17641	0.2
145.10147	0.5
147.11627	0.3
149.02357	0.3
149.05988	1.9
149.09633	0.3
150.03142	1.3
151.37448	0.2
158.99716	0.3
159.11720	0.4
161.02335	0.3
165.05489	2.8
172.94301	0.3
177.09068	0.3
178.02615	13.0
193.04971	100.0
194.05272	0.3
201.09312	0.2
201.66084	0.2
243.14006	0.2
243.17357	0.2
261.10373	0.2
261.12851	0.3
261.15604	0.3
261.18497	2.2
261.22101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01764	1.6
55.05518	10.0
56.96568	23.0
57.03421	2.4
57.07062	7.3
67.05509	12.0
69.03445	2.8
69.07047	5.7
70.06595	9.4
70.79478	4.7
71.08630	4.1
73.19630	1.6
78.54505	1.9
79.05498	12.0
81.03415	38.3
81.07054	11.6
83.04995	10.1
83.08629	11.6
85.02881	4.1
86.09721	8.5
88.07634	15.4
91.05483	14.4
93.07034	6.4
95.04974	16.3
95.08591	6.6
97.02880	3.7
97.06532	2.6
97.10172	1.7
98.06863	2.5
98.97563	2.6
99.08139	2.2
99.59497	1.6
102.09191	5.0
105.07044	11.1
106.08681	5.0
107.04939	3.2
107.08597	7.3
109.06503	2.7
109.10156	2.8
111.08073	6.7
113.05982	2.5
117.06982	2.2
119.08604	9.1
121.10130	5.4
123.08050	2.2
125.77251	1.7
129.07016	5.0
131.08582	6.1
133.10133	8.1
136.92177	6.9
145.10139	2.7
147.11707	10.4
149.09634	4.6
154.93230	15.8
154.97147	1.8
157.10161	6.9
165.12785	1.8
172.94289	29.7
175.11183	8.9
180.01926	1.7
190.95352	17.7
192.14011	1.9
193.12253	55.2
195.95879	19.0
204.13878	4.7
211.13304	85.7
213.96910	19.8
216.07341	3.0
218.97536	3.1
225.14857	37.2
236.93465	5.5
236.98618	4.3
242.24789	5.6
260.20438	6.6
260.25879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01861	3.3
55.05511	6.7
56.96564	1.6
57.03425	1.3
59.04992	3.5
61.88665	1.1
67.05505	11.3
69.07082	9.9
69.97201	5.4
70.07420	1.4
71.04993	7.0
71.11853	1.3
74.19517	1.1
79.05491	12.6
80.05817	3.0
81.02982	1.9
81.03417	18.1
81.07052	10.1
83.04973	4.5
83.08622	5.4
85.06538	3.2
91.05475	14.7
93.07056	8.0
95.04963	7.6
95.08602	4.9
97.02891	1.7
97.06535	24.9
98.06862	14.0
98.97563	1.5
105.07027	9.7
107.04940	1.9
107.08618	9.0
109.06502	2.9
111.08088	4.1
118.03728	2.0
119.08578	9.1
121.10162	7.5
129.06970	5.1
131.08554	9.1
133.02870	1.2
133.10127	12.6
135.04411	1.2
136.04861	1.2
147.08006	1.4
147.11702	10.5
149.09633	11.7
157.10139	9.7
161.02316	3.3
162.02698	3.4
163.03918	7.0
164.04196	8.4
165.12810	2.6
167.10712	2.7
173.02380	5.1
174.02699	11.7
175.11147	13.9
193.12250	34.0
199.13368	3.5
200.79491	1.1
211.13287	100.0
215.06970	1.4
216.07368	14.9
219.01823	1.3
225.14905	5.0
260.10059	7.7
260.20853	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	260.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.4
55.05513	4.1
55.21486	0.7
56.05057	2.6
56.96595	2.5
57.03467	2.3
57.76049	0.7
61.02942	1.8
65.89037	0.6
67.05508	6.2
68.05036	17.5
68.96561	0.8
69.03461	3.1
69.07082	2.0
70.06605	1.5
70.59667	1.8
70.60027	1.3
71.01382	1.0
71.05025	2.0
72.08160	30.6
73.02937	2.9
79.05483	4.1
80.05025	1.0
81.03429	4.2
82.06639	1.9
83.06111	0.9
84.04519	7.2
84.08150	52.2
85.02934	3.2
85.06572	1.5
86.09713	26.0
95.04988	10.3
96.04527	2.1
96.08197	1.0
97.02911	3.5
98.06049	1.2
98.09729	0.7
98.97591	5.7
99.04443	5.6
99.97971	0.9
100.07619	0.8
101.00920	1.8
101.10802	1.7
102.01029	1.1
102.05525	0.7
102.09225	2.5
106.02866	1.4
106.06565	2.3
110.06076	2.8
111.04453	1.4
112.03983	1.9
112.07623	0.8
112.99139	3.6
113.03530	1.9
113.06043	2.0
116.98640	1.7
119.01971	2.0
120.02001	0.8
123.04458	3.3
124.07597	4.1
127.03951	3.3
128.07089	12.7
128.98624	1.3
129.10269	11.0
130.05020	8.6
130.08665	8.2
131.00186	2.2
132.10225	0.7
133.03476	2.0
134.03532	1.0
134.06023	1.9
138.70146	0.8
141.05482	3.1
143.00186	0.9
143.01949	0.9
143.11812	19.6
144.06589	1.5
144.10301	0.8
147.07663	11.9
147.11290	11.4
152.07065	10.4
156.05478	1.5
156.55650	1.1
157.04376	0.9
158.04826	0.8
159.06554	2.5
161.09256	1.1
168.99408	0.8
169.04507	1.0
169.54591	1.2
170.08128	19.7
171.11285	9.1
178.04959	1.6
178.55168	2.4
179.05821	0.8
185.06549	0.8
188.09198	100.0
189.12401	1.0
198.11336	0.9
201.09206	1.6
218.02083	1.0
219.07193	1.4
221.05032	1.0
224.12878	1.6
229.03185	1.0
242.13831	3.7
242.18585	1.1
243.13367	1.2
243.17033	3.7
259.99939	1.0
260.04584	1.0
260.14935	69.8
260.19412	17.9
261.03168	1.1
261.05780	4.5
261.09207	2.6
278.00970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1608
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05518	1.0
55.44549	0.6
56.05030	5.7
56.96566	3.4
57.03431	1.1
57.20139	0.6
58.06853	0.6
61.02934	1.0
66.99598	0.7
67.05510	1.1
68.05024	0.8
69.03443	1.2
69.07076	4.5
69.70319	3.7
70.06593	2.0
71.04983	0.7
72.08167	3.6
73.02917	1.6
74.02445	1.5
75.02766	0.9
75.05609	1.6
81.03426	1.2
83.06111	38.7
83.09454	0.6
84.04512	52.6
84.08150	31.1
85.02921	4.5
86.09713	100.0
86.96515	0.6
90.05538	0.7
96.04526	0.6
97.02896	1.6
97.06541	0.9
98.97597	4.1
98.98454	0.7
101.07137	4.6
101.10788	1.2
106.02854	0.8
110.06055	0.8
111.04471	0.7
112.07661	0.8
112.99170	2.2
116.07053	0.7
116.98633	2.0
119.52158	0.6
120.08115	0.7
128.98645	1.2
129.06622	2.8
129.10260	10.9
130.05037	2.1
130.06532	4.9
130.08650	7.1
131.00165	1.9
131.05391	0.7
132.04491	0.9
132.10217	20.5
132.11189	1.2
136.07690	0.7
140.07051	0.6
143.11816	7.8
147.07698	1.6
147.11293	8.9
157.07661	2.9
157.13383	14.1
158.06065	0.6
158.99757	0.8
161.09233	1.3
169.04308	1.0
169.54674	1.0
171.11316	3.7
177.00659	0.9
178.04926	1.0
178.55153	2.3
185.07097	0.8
185.12885	5.6
188.09233	0.9
189.12430	2.1
193.04066	0.8
196.14482	6.9
197.12877	18.6
198.11272	0.6
201.00838	0.8
203.07951	0.9
219.01543	0.7
225.12405	2.4
235.04886	0.9
242.15012	48.1
243.07932	0.8
243.13416	28.3
243.17159	1.4
260.05307	1.6
260.10562	1.8
260.16147	3.6
260.19818	9.2
274.45148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.25034	0.6
53.03949	1.4
54.73821	0.8
55.05277	0.9
55.05518	9.8
57.03445	1.1
57.07056	1.5
64.27827	0.7
65.03941	0.7
67.05509	13.9
67.78249	0.7
69.07067	7.4
69.15775	0.8
69.96016	3.6
71.05009	1.4
78.30470	0.7
79.05062	1.3
79.05496	14.3
81.07061	12.9
81.93568	0.7
83.04967	1.7
83.08632	5.6
85.06552	1.6
91.05484	33.4
93.07043	14.6
95.04980	1.0
95.08612	11.2
97.06510	1.4
97.10159	1.4
99.08080	1.8
103.05437	1.8
105.03419	1.1
105.07033	68.5
107.08583	9.0
109.10163	3.8
111.04463	1.2
111.08092	1.1
115.05453	1.8
116.06293	1.0
117.07024	33.8
117.07856	1.9
119.08586	42.9
121.10133	5.9
123.08111	1.0
123.11691	1.2
128.06235	3.2
129.07004	13.2
130.07808	1.2
131.08569	32.4
133.10139	34.3
135.08051	1.3
135.11679	3.0
141.07010	1.0
142.07829	2.2
143.08563	17.0
144.09412	1.0
144.63278	0.7
145.10124	29.7
147.11688	24.8
149.09587	0.7
149.13242	2.5
155.08636	1.0
157.10127	12.5
159.11702	47.6
161.12206	0.7
161.13261	20.2
163.11203	1.8
171.11699	14.6
173.13266	26.4
175.14819	5.9
177.12779	1.0
185.13248	19.6
187.14786	2.5
189.12726	1.8
199.14813	15.6
213.16396	2.2
215.17937	2.5
217.15985	1.2
231.21086	3.2
241.19510	27.6
259.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05511	12.9
56.34944	1.2
57.03432	2.5
57.07062	3.5
67.05509	13.5
69.07076	9.4
69.83299	5.0
71.04992	3.0
79.05494	13.2
81.07069	13.7
83.04962	3.9
83.08634	6.6
85.06495	1.4
91.05489	32.0
93.07056	13.6
95.05004	1.8
95.08606	12.2
97.06517	3.0
97.10182	1.7
99.08066	4.2
101.05978	1.3
103.05505	1.6
105.03407	11.2
105.07039	76.5
107.08589	7.1
109.06519	1.3
109.10147	3.9
111.04464	6.8
115.05437	3.6
117.07026	50.4
119.08589	48.2
121.10139	6.4
128.06194	5.9
129.01872	3.0
129.07024	20.2
130.07794	1.5
131.08574	54.5
133.10138	48.7
135.11707	4.8
141.07004	1.7
142.07806	3.6
143.08560	25.0
144.09303	1.4
145.10141	44.6
147.08038	1.7
147.11694	22.9
156.09251	1.6
157.10138	19.1
159.11707	83.0
161.13287	14.1
171.11716	24.0
173.13281	52.2
175.11150	1.5
175.14844	5.0
181.06465	1.7
185.11649	2.1
185.13286	28.8
187.14830	4.0
199.14842	19.8
203.14360	1.6
213.16388	5.6
215.18196	1.4
231.21060	3.0
241.19534	31.0
259.11258	3.6
259.20584	100.0
279.10419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03940	1.6
54.34554	0.7
55.01853	1.0
55.05276	0.7
55.05515	7.3
56.96561	1.9
57.03431	1.3
57.07063	2.0
65.03916	0.9
67.05508	13.2
67.36747	0.7
69.07076	7.7
70.92160	1.9
71.05000	2.1
79.05501	13.8
81.07068	14.8
81.79187	0.7
83.04989	0.8
83.08607	2.1
85.06528	2.9
91.05486	26.3
93.07058	12.2
95.04999	1.2
95.08624	9.8
97.06545	14.1
97.10186	1.5
98.97643	0.8
99.08101	2.4
103.05480	1.1
105.07041	35.4
107.08601	7.5
109.06514	0.9
109.10164	3.7
111.08107	1.3
113.09654	1.2
115.05428	0.9
117.07024	9.1
119.08589	29.4
121.10168	5.6
128.06233	1.2
129.07014	7.4
131.08585	12.1
133.10143	23.6
135.08055	1.5
135.11722	3.9
143.08575	5.7
145.10133	14.4
147.08051	0.9
147.11697	20.1
149.09604	1.4
149.13243	2.9
151.11182	0.7
157.10120	6.8
159.11711	11.4
161.02319	1.8
161.09595	0.9
161.13261	12.2
163.03949	6.1
163.11188	1.6
167.04527	0.8
171.11694	7.6
172.94235	1.1
173.02374	4.9
173.13318	5.3
175.11232	1.4
175.14861	7.7
177.12776	1.1
185.13258	7.6
187.14856	1.5
189.12669	1.0
199.14819	4.9
201.16339	2.9
212.86876	0.8
213.16284	1.6
215.07101	6.6
215.18024	0.9
231.17465	0.9
231.21114	2.8
241.19545	15.9
245.04121	0.8
250.53558	0.8
259.05817	0.9
259.09695	6.1
259.20593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Bactacine
Peak:m/z	Relative Intensity
53.03939	1.4
55.01845	1.1
55.05511	6.5
57.03434	0.7
57.07061	2.3
64.20314	0.8
67.05511	6.8
69.03422	3.4
69.07068	7.5
70.98671	2.1
79.05494	7.2
81.07059	15.6
83.04990	7.0
83.08611	2.2
85.06532	1.3
89.03928	1.8
91.05473	3.9
93.07057	6.1
95.04949	1.4
95.08617	11.3
97.05921	1.6
97.06534	28.0
97.10155	2.6
103.05449	1.0
105.04475	1.2
105.07025	11.0
107.04964	1.3
107.08603	8.0
109.06523	3.3
109.10148	10.0
111.08080	2.2
117.07027	0.9
119.08589	14.7
121.06494	2.5
121.10137	8.4
121.77960	0.8
123.08092	1.1
123.11713	9.3
125.09608	3.9
129.06993	1.0
130.87576	1.1
131.08562	1.9
133.06512	2.0
133.10126	8.5
135.04399	2.0
135.11693	10.4
137.09630	6.1
143.08554	2.6
144.09363	1.1
145.02867	2.8
145.10112	4.0
147.08067	3.9
147.11705	4.8
149.09630	9.6
149.13255	3.3
151.11180	11.7
156.09361	0.9
157.10114	3.0
159.11710	3.5
161.02307	2.2
161.09590	2.7
161.13272	5.9
163.03917	11.0
163.11267	3.8
170.10960	1.3
171.11705	5.7
173.02350	8.3
173.13335	1.0
175.11208	6.3
175.14827	15.7
177.12769	5.1
185.13266	3.6
189.12743	17.4
189.16354	1.2
190.13544	1.7
191.14272	4.0
199.14799	2.0
201.16389	3.4
203.14310	13.0
204.15077	1.5
215.06992	9.8
215.17987	1.4
217.15758	1.0
241.19542	4.0
259.09698	7.6
259.20581	100.0
260.86609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55925	4.3
55.05502	17.9
57.03438	8.7
57.07070	5.5
67.05489	10.6
69.03462	4.9
69.07061	43.3
71.04995	43.4
71.64718	4.2
71.65101	4.5
79.05476	8.0
81.07061	30.6
83.04993	25.9
83.08633	7.7
85.06557	26.6
87.36591	4.2
91.05468	12.0
93.07044	20.6
95.04962	7.8
95.08603	27.6
97.06519	9.4
105.03375	14.3
105.07045	35.4
107.08606	22.7
109.06524	9.2
109.10149	21.3
111.04430	34.2
111.08096	22.8
117.06995	12.2
119.08587	67.5
121.10135	17.8
123.11723	34.2
129.01889	5.6
129.06964	8.0
130.07834	4.6
131.08574	10.6
133.10147	44.5
135.08104	22.9
135.11681	8.3
137.09610	6.2
143.08565	11.9
145.10106	33.9
145.70866	4.5
147.11661	21.2
149.13293	5.5
152.44011	4.3
157.10045	10.8
159.11670	30.9
161.13261	48.8
171.11676	16.8
173.13242	10.2
175.11186	8.5
175.14816	97.1
176.15498	5.7
177.12695	6.6
178.80698	5.6
185.13300	20.5
189.16423	5.7
199.14812	4.8
201.16328	25.0
203.14314	14.1
215.17882	4.2
241.19447	23.8
259.11435	7.4
259.20602	100.0
259.23465	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05510	10.8
57.03431	2.6
57.07067	2.4
67.05509	10.1
69.03419	2.8
69.07073	35.4
69.81338	7.7
71.04998	40.6
79.05485	7.7
81.07066	17.4
83.04969	8.2
83.08627	9.8
85.06539	24.0
91.05476	14.9
93.07059	19.7
95.08611	25.3
97.06523	8.0
98.20794	2.1
104.62105	1.9
105.07037	33.3
107.08601	20.6
109.06510	14.3
109.10160	14.7
111.08088	24.0
117.07014	9.1
119.08586	62.5
120.09338	2.7
120.85993	1.9
121.10138	14.0
123.08089	2.4
123.11707	24.1
129.07030	3.5
130.07799	3.4
131.08548	13.8
132.09341	2.1
133.10146	37.3
135.08076	19.8
135.11684	4.0
137.09630	5.3
143.08574	6.4
144.09378	3.8
145.10129	33.8
147.11705	23.0
149.09584	4.0
149.13268	3.9
151.11133	2.1
156.09384	3.1
157.10129	12.0
159.11720	35.2
160.12500	3.3
161.09596	2.8
161.13283	43.1
163.11208	5.3
170.10913	3.1
171.11708	17.1
173.13246	9.6
175.11108	3.2
175.14838	100.0
176.15608	5.5
177.12732	3.8
177.16351	4.3
185.13284	14.8
189.12735	6.0
189.16399	8.8
199.14780	6.6
201.16383	27.1
203.14270	11.5
215.17938	6.4
223.95148	1.8
241.19516	17.6
259.20593	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	259.0968
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.00312	0.6
53.03937	1.3
55.01875	4.1
55.05513	2.1
56.96562	0.5
57.03436	2.4
63.02345	0.4
67.05508	4.3
69.03437	1.0
69.07071	13.9
70.70838	1.1
77.03949	0.5
77.40274	0.4
79.05496	11.5
81.07050	1.4
85.06533	0.8
89.03927	5.5
91.05471	0.9
93.07046	0.4
95.04966	1.3
95.08597	0.9
97.06533	100.0
98.97589	0.6
105.03394	0.9
105.07034	1.1
107.04962	1.5
107.08564	0.5
113.04221	0.6
115.05421	0.5
117.03394	6.1
119.04922	0.6
119.08571	1.0
128.06239	0.6
130.08704	0.4
131.04933	0.8
131.08565	0.7
133.02861	3.8
133.06451	0.6
133.10135	0.8
134.03641	0.9
135.04413	8.0
141.06943	0.8
143.08554	0.5
144.05699	0.4
145.02863	5.3
145.10083	0.6
147.04395	1.0
147.11690	0.6
157.10120	0.7
158.99567	0.5
159.04414	5.3
159.11729	0.5
161.02347	19.7
163.03909	43.4
169.06509	0.5
171.11789	0.5
173.02353	38.2
175.03894	1.0
185.05995	1.6
185.13257	0.8
186.03078	0.8
187.03883	0.9
187.07605	0.6
189.05463	1.1
193.05043	0.4
195.08118	0.5
197.05949	1.2
199.03879	0.5
201.16373	1.1
205.05028	0.5
212.04639	0.5
213.09062	0.6
215.07039	46.2
215.17867	0.4
217.05023	0.4
241.08551	1.2
259.09656	24.6
259.16934	1.0
259.20560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.9
56.96561	8.5
57.03447	9.4
61.02922	8.2
69.03436	19.8
70.06583	6.1
71.05001	6.6
71.53619	3.7
73.02920	14.5
74.00651	2.2
74.97342	1.9
77.36713	1.7
80.17633	1.8
81.03415	7.1
83.04967	3.8
84.04494	4.1
84.08154	5.9
85.02435	3.7
85.02909	39.4
86.09713	4.5
87.04465	2.4
95.00781	2.9
97.02322	6.7
97.02900	25.3
98.97592	16.1
99.04462	4.1
100.02208	27.3
104.01281	2.1
104.10699	2.7
105.11071	3.9
106.02863	9.8
109.02915	3.1
110.01361	2.3
110.97572	6.3
112.07636	2.1
112.99136	61.8
115.03357	4.5
116.98608	3.5
118.02837	7.2
119.01805	10.6
124.02836	4.7
125.03658	3.0
127.03174	4.6
127.03920	13.1
128.98598	3.9
130.02802	4.9
130.08636	5.8
131.00185	29.7
131.01776	4.2
133.03354	24.2
139.03349	10.5
142.03894	9.5
145.01640	2.8
145.04976	4.9
146.02733	21.5
148.03859	9.3
149.01254	8.8
154.03943	2.1
156.03659	2.5
158.99652	6.4
160.03868	5.4
169.04411	68.5
173.26659	1.9
174.31795	1.8
175.02783	11.1
177.00676	2.2
178.04936	100.0
178.55032	3.7
187.05470	5.7
191.02336	2.2
191.03943	5.9
193.03856	27.6
200.04489	3.1
211.04904	12.0
213.06921	7.0
219.01924	2.8
235.04906	52.9
253.05911	6.9
259.07498	15.2
265.05902	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.4
69.03445	1.2
70.13454	2.9
70.13839	1.4
72.08141	1.4
84.04492	1.0
84.08118	1.1
85.02899	2.2
86.09692	1.1
87.04440	0.8
92.56762	0.8
97.02901	1.5
98.97552	2.2
112.99149	2.5
138.05461	1.0
147.74109	0.8
169.04413	2.3
178.04980	1.3
178.55534	0.8
207.21286	0.9
235.05127	0.8
259.04269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1102
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
56.05055	0.3
57.03436	0.5
58.06602	0.8
60.07886	0.5
60.08167	7.8
63.34457	0.3
69.03416	0.3
70.06590	0.7
71.02415	0.5
71.07378	2.1
73.02923	0.5
74.68645	0.3
76.26272	0.2
82.06553	0.3
84.08159	0.5
85.02878	0.7
85.06445	0.3
86.09709	16.6
96.04454	0.5
97.02876	0.6
98.98458	2.7
101.00826	0.3
101.84039	0.3
104.10748	100.0
110.07178	0.8
112.99133	0.4
116.07083	0.8
118.08680	2.0
119.01899	0.4
120.02028	0.4
124.03978	0.6
125.00011	23.2
126.06657	0.5
133.03426	0.5
141.10194	2.3
169.04387	0.4
176.07677	0.9
178.04944	0.6
184.07356	9.2
210.00932	0.4
212.13948	0.5
245.05276	0.3
258.03152	1.8
258.11044	24.9
258.14294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.02377	0.7
52.03180	0.7
55.01864	1.0
55.05515	8.2
56.13614	0.5
57.03429	2.3
57.07062	1.7
60.08157	1.4
65.03944	1.2
67.05506	22.9
68.80830	0.5
69.07067	6.6
69.70861	2.6
71.04983	1.9
79.05064	1.0
79.05491	10.2
80.02322	0.5
81.06593	1.0
81.07059	18.5
83.04957	0.8
83.08622	3.4
85.06531	2.5
91.05479	18.8
93.07047	8.2
95.04932	1.1
95.08610	13.1
96.74222	0.6
97.06522	1.8
97.10159	1.2
97.59348	0.5
98.21471	0.8
98.97570	1.4
99.08103	1.2
100.16909	0.6
103.05478	0.9
105.07034	14.2
107.04977	0.7
107.08591	4.8
109.06503	1.1
109.10159	5.2
111.08099	1.2
115.05448	3.8
116.06216	2.9
116.98668	0.7
117.07025	41.0
118.92023	0.8
119.08587	10.7
121.06535	0.5
121.10143	4.5
123.08055	1.3
123.11674	1.1
125.09704	0.8
128.06212	6.0
129.07007	23.9
130.07779	4.7
131.08574	66.9
133.06465	1.6
133.10130	9.0
135.08069	1.0
135.11694	1.3
136.93108	2.8
137.09544	0.9
141.06998	9.1
142.07806	4.8
143.08563	22.4
144.09337	1.6
145.10126	74.3
147.08044	2.9
147.11688	4.0
149.09607	2.3
153.06993	0.6
154.07767	2.3
154.94196	3.9
155.08557	12.1
155.43388	0.6
156.09363	1.4
157.10138	29.8
158.10832	0.8
159.08110	2.8
159.11696	44.0
161.09598	2.9
161.13251	1.9
163.11180	1.0
167.08565	1.5
168.09355	2.1
168.70016	0.6
169.10138	17.4
169.11572	0.9
170.10954	0.7
171.11693	28.7
171.13165	1.4
172.95238	2.8
173.09721	2.8
173.13268	24.0
175.11177	3.7
181.10107	1.2
182.10927	1.5
183.10059	1.3
183.11697	23.0
183.77597	0.6
185.13271	13.5
187.11185	4.0
187.14832	1.7
189.12753	1.3
190.96297	1.4
195.11775	0.8
195.96851	0.9
196.12546	1.0
197.13266	18.3
198.13844	0.7
199.14784	3.0
201.12772	3.1
201.16385	1.6
210.14020	1.8
210.96747	0.6
211.14821	3.9
213.16362	4.2
215.14336	2.0
215.17979	1.6
227.17865	0.7
228.97897	1.4
229.15900	1.2
229.19498	4.2
239.17952	41.1
246.98962	0.6
257.19012	100.0
257.30328	8.9
274.97391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.05512	10.1
56.96552	0.6
57.03436	2.0
57.07085	0.8
59.04992	0.8
65.03925	0.8
67.05507	23.0
69.07070	4.5
71.05000	1.7
71.14866	1.3
76.81582	0.5
79.05500	8.5
81.07061	14.7
83.08632	3.3
85.06543	1.1
91.05482	16.1
93.07053	6.0
95.04980	1.4
95.08061	1.0
95.08614	11.3
97.06561	1.4
97.10185	1.6
98.97575	0.8
99.08118	0.8
103.05453	0.8
105.07034	16.6
107.04925	0.6
107.08593	3.8
109.06510	1.0
109.10173	6.4
115.05434	2.6
116.06249	1.7
117.07025	27.8
119.08577	10.0
121.10129	3.7
123.08106	1.1
125.09615	1.0
128.06213	4.5
129.07008	15.2
130.07785	4.6
131.08572	51.4
133.06488	1.6
133.10133	9.6
135.08037	0.9
135.11687	1.8
137.09615	0.6
141.06995	9.0
142.07796	2.9
143.08568	22.4
144.09320	1.8
145.06548	2.9
145.10127	100.0
147.08046	2.0
147.11679	6.0
149.09589	1.4
154.07780	1.6
155.06056	0.7
155.08559	8.3
156.09351	0.9
157.10126	16.9
159.08072	2.2
159.11702	26.2
161.09619	2.9
161.13246	1.7
163.11180	0.7
167.08575	1.1
168.09338	1.6
169.10144	12.1
171.11691	23.9
172.95285	0.7
173.09619	1.5
173.13269	12.0
175.11188	3.0
177.12691	0.9
182.10910	0.9
183.10078	0.9
183.11690	17.2
183.13249	1.2
185.13272	6.1
187.11177	5.7
187.14792	2.0
189.12791	0.9
197.13266	15.0
199.14825	1.3
199.79881	0.6
201.12769	1.9
201.16409	0.8
211.14806	3.0
213.16389	1.1
215.14330	2.0
215.17975	1.5
224.30711	0.5
229.19516	17.3
239.17957	29.1
257.19012	96.8
257.30258	4.3
258.19421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05516	6.9
57.07061	2.6
58.96111	1.4
67.05505	18.5
69.03438	2.0
69.07076	6.5
71.04978	4.5
71.25589	1.3
71.25941	2.9
79.05496	10.8
81.07060	15.2
83.08592	2.1
85.59200	1.3
91.05479	18.6
93.07045	19.4
95.04961	3.0
95.08604	14.6
98.97593	2.9
103.05480	1.4
105.07030	24.1
107.08599	14.8
109.06516	6.4
109.10154	11.0
111.08089	2.8
115.05431	3.5
117.07025	24.8
119.08585	17.7
121.10147	76.4
123.08041	2.2
123.11683	2.0
128.06235	4.5
129.07004	17.6
130.07835	2.1
131.08571	45.2
133.10143	9.9
135.08063	25.6
135.11670	2.3
136.93100	2.7
137.09598	6.9
141.07024	7.8
142.07768	4.8
143.08568	23.5
145.10123	61.8
147.11684	4.6
149.09619	5.1
154.07784	1.9
155.08562	11.4
157.10127	24.3
159.08023	2.6
159.11684	32.2
161.13286	2.1
163.11171	3.3
167.08600	2.3
168.09351	2.0
169.10124	16.8
171.11676	21.7
173.09636	1.7
173.13268	22.1
175.11197	1.7
177.12698	2.9
183.11681	19.9
184.12476	2.0
184.27380	1.6
185.13252	4.8
187.11200	3.8
187.14786	2.7
189.12784	1.5
195.11839	1.8
197.13293	15.0
199.14825	29.5
201.12735	4.4
211.14790	5.8
213.16376	9.6
214.17165	2.3
215.17931	5.2
215.43027	1.3
229.19424	1.7
239.17973	36.0
257.19009	100.0
257.26508	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03938	1.5
53.31062	0.6
55.01868	1.2
55.05511	4.0
57.03426	0.8
57.07074	1.6
59.05009	0.8
67.05511	6.2
69.03432	0.8
69.07072	5.2
70.85707	1.4
71.05000	5.0
73.64548	0.7
74.99741	0.7
79.05500	7.5
81.07072	5.8
83.04963	2.2
83.08607	2.2
85.06542	3.8
91.05485	8.5
93.06490	1.1
93.07053	16.7
95.04965	3.6
95.08070	0.5
95.08612	11.1
97.06516	1.7
100.21782	0.6
103.05444	1.1
105.07035	22.3
107.08601	14.3
109.06522	6.9
109.10157	8.6
111.08069	2.8
115.05417	0.9
117.07009	4.5
119.08591	22.0
121.06483	0.9
121.10151	66.4
123.08064	1.8
123.11705	1.8
125.09618	1.0
128.06219	2.5
129.06999	3.2
130.07788	0.9
131.08575	11.4
131.88107	0.7
133.07597	1.2
133.10132	11.3
135.08061	21.9
135.11687	3.2
137.09608	7.5
141.06970	1.3
142.07787	4.2
143.08575	15.1
144.09315	2.3
145.10135	15.0
147.08031	1.4
147.11714	3.6
148.91644	0.6
149.09653	4.2
151.11186	2.0
154.07707	0.7
155.08525	2.5
156.09346	4.4
157.10141	20.0
158.10954	3.8
159.08092	1.9
159.11699	16.6
161.09647	2.5
161.13281	1.6
163.11195	4.9
167.08571	1.1
168.09384	2.0
169.10135	9.0
170.10957	1.0
171.11707	9.2
172.08755	0.8
172.12480	1.2
173.09615	1.7
173.13274	20.7
174.14049	2.1
175.11192	2.4
175.14795	2.1
177.12787	1.3
182.10954	1.2
183.11691	9.3
184.12476	2.7
185.13219	2.4
187.11163	5.4
187.14842	3.4
189.12772	2.2
195.11594	0.9
197.13254	6.8
199.14822	31.4
201.12708	5.2
209.13228	1.0
211.14761	1.1
213.16377	10.3
214.17122	3.0
215.14354	2.3
215.17911	6.5
224.15541	1.5
225.74796	0.7
239.17950	13.9
257.19012	100.0
257.26505	4.1
258.19406	0.8
258.27911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05510	10.2
56.96556	6.0
57.03438	2.3
57.07065	5.0
65.03920	1.6
67.05505	37.8
69.07070	8.5
69.82150	5.4
69.82571	2.2
71.04984	4.9
79.05502	7.6
81.07052	23.6
83.08622	3.9
85.06529	4.3
91.05486	24.0
93.07040	5.2
95.04976	1.3
95.08622	7.8
97.06519	1.7
98.21402	2.6
98.97595	4.8
105.07024	13.6
107.08605	3.6
109.10149	7.0
113.88323	1.3
115.05457	5.6
116.06231	4.1
117.07024	51.0
119.08597	6.5
119.46107	1.3
121.10143	5.8
128.06194	6.9
129.07007	41.4
130.07767	4.8
131.08572	100.0
133.10153	9.7
141.06993	20.4
142.07768	4.9
142.69290	1.3
143.08562	32.6
145.10124	91.7
147.08087	1.8
147.11684	3.7
154.07764	6.0
155.08556	18.8
157.10120	29.4
159.08081	2.1
159.11690	56.1
161.13278	1.5
167.08598	2.2
168.09319	1.9
169.10124	21.3
171.11696	45.7
173.09737	1.5
173.13280	27.8
175.11214	2.9
180.34502	1.2
181.10106	2.8
183.11702	38.3
185.13260	6.1
195.11713	1.6
196.12506	3.4
197.13252	23.9
199.14819	2.5
201.12837	2.3
211.14806	8.1
213.16299	2.6
229.19627	2.1
236.15379	4.5
236.65598	1.8
239.17955	61.9
245.15829	4.6
245.66100	1.6
256.66544	1.6
257.19022	63.1
257.26633	3.0
274.97476	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1286
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03933	0.7
55.01864	0.8
55.05498	2.1
56.96561	0.9
57.03426	0.9
57.07071	0.8
59.65796	0.5
62.24805	0.5
65.03938	3.7
67.05510	5.8
69.03427	0.6
69.07058	2.1
69.79468	2.7
70.19321	0.5
71.04990	0.6
79.05479	2.2
81.07066	2.8
82.02937	0.5
83.08601	0.7
91.05499	2.5
92.05015	5.2
93.05775	0.8
93.07047	1.6
94.06585	2.0
95.04968	0.8
95.08608	2.7
97.06532	0.8
97.10120	0.8
98.20807	0.6
98.97592	2.2
105.07041	1.6
106.06586	0.8
107.08573	1.5
108.08154	0.5
109.10192	2.6
115.05472	0.7
116.98590	0.8
117.07063	1.3
119.08585	1.7
120.04440	1.7
121.10115	0.9
122.06049	2.4
123.11755	0.6
124.07565	0.6
128.06256	0.8
129.07013	1.5
130.06511	0.7
131.08586	2.6
133.10143	1.6
134.06039	0.8
135.11694	1.0
136.07578	1.2
138.09171	0.6
141.06987	1.1
142.06596	0.5
142.07767	0.9
143.08580	2.7
144.08090	0.9
145.06366	0.5
145.09018	0.8
145.10124	7.3
146.09639	0.6
147.11728	1.1
152.60936	0.5
154.06490	1.6
155.06001	0.6
155.07301	1.3
155.08569	1.1
156.08090	1.6
157.08875	0.6
157.10077	1.2
158.05980	0.8
158.09653	0.6
159.09167	1.1
159.11693	1.4
160.07570	1.4
160.11237	0.9
167.08693	0.6
168.06862	0.8
168.08044	2.7
169.08865	4.4
169.10141	1.1
170.06078	0.8
170.09660	1.5
171.09175	1.7
171.10434	1.0
171.11688	1.7
172.07582	1.4
172.09915	3.1
173.07167	0.6
173.13284	1.6
174.09154	0.7
174.11526	0.5
180.08136	0.5
182.06015	1.8
183.06804	1.6
183.09251	2.1
183.11713	1.1
184.07675	2.9
184.11218	7.9
185.07132	2.2
185.10748	4.1
186.11516	9.0
186.12939	1.2
187.08676	1.8
187.14684	0.6
188.10802	0.7
189.10361	0.6
195.09174	0.7
196.07616	1.5
196.09930	1.8
197.08376	8.1
197.13237	1.0
198.09238	1.0
199.08614	6.6
199.14922	0.7
200.09419	15.4
201.10249	2.8
201.13908	10.3
211.08678	2.1
211.12309	1.8
212.10715	11.7
213.06641	8.8
213.10207	10.1
214.07407	2.0
214.10861	8.7
224.09456	2.0
225.07741	1.1
226.07423	0.8
227.08170	9.0
228.08900	24.6
229.09819	21.2
229.13353	41.2
236.98640	0.5
239.11928	3.5
239.18027	1.4
240.10199	4.2
240.12268	0.7
241.09743	16.3
242.10509	36.6
257.12869	100.0
258.13321	0.9
274.97598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2999
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
52.03949	0.1
55.05523	0.4
57.06795	0.2
57.07076	4.7
58.06343	0.3
58.06586	1.4
59.07167	0.2
60.08164	19.2
67.05511	0.2
69.07069	0.3
69.75825	0.5
69.76235	0.3
70.56166	0.1
71.08631	2.3
81.03394	0.1
81.07059	0.3
83.08619	0.2
85.10191	1.2
91.05499	0.2
93.07047	0.2
105.07027	0.3
107.52435	0.2
122.17281	0.1
131.08548	0.3
133.08553	0.2
133.49109	0.2
143.08545	0.2
145.10089	0.8
172.94321	0.3
182.09686	0.3
186.59575	0.1
228.10185	0.2
232.96542	0.2
254.88815	0.2
256.29987	100.0
257.18982	0.6
257.30298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1956
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03947	0.9
55.01867	1.8
55.05513	5.7
56.96560	3.0
57.03436	2.0
57.07072	2.3
59.04995	1.2
67.05509	42.0
69.03419	2.4
69.07071	7.4
71.05008	4.9
71.08610	0.7
71.54885	1.1
73.02955	0.7
79.05488	7.9
81.03429	1.4
81.06590	1.4
81.07060	25.8
83.04974	2.9
83.08639	4.1
85.02913	1.8
85.06548	2.4
91.05465	3.9
93.07057	12.0
95.04967	2.4
95.08614	9.6
97.02876	0.8
97.06535	5.2
97.10181	1.2
98.97583	4.2
98.98476	10.0
105.07034	4.5
107.04946	1.4
107.08590	9.1
109.06535	2.8
109.10162	100.0
111.04446	1.5
111.08093	7.4
116.98643	1.7
117.07037	2.6
119.08608	4.9
121.06557	1.4
121.10159	11.0
123.05584	0.7
123.08047	1.2
123.11667	1.3
125.05983	0.7
125.09641	6.5
127.03948	0.8
127.11197	3.3
129.07040	1.3
131.00163	0.6
131.08542	3.4
133.10132	2.8
135.08055	1.7
135.11713	4.9
135.79881	0.6
137.09631	1.6
137.13326	1.3
137.14484	0.7
139.07550	0.7
141.06931	0.7
143.08531	1.1
145.06493	0.7
145.10132	6.1
146.85036	0.7
147.11687	1.8
149.02364	1.6
149.09618	1.4
149.13258	3.7
151.11189	2.4
155.14302	0.7
157.10118	0.7
158.99690	1.9
159.11682	3.8
161.13248	1.3
163.11180	2.7
163.14871	1.0
171.11685	0.8
173.09665	0.8
173.13289	1.2
176.04781	0.7
177.00676	1.1
177.12863	0.8
177.16414	1.5
191.10658	1.1
195.06438	0.7
199.11362	1.1
201.16336	3.3
207.17499	1.5
213.16420	0.9
214.08588	1.0
219.14029	1.2
219.17464	8.3
223.13428	1.1
237.16505	0.9
237.18509	19.7
255.06520	1.5
255.13667	0.7
255.15752	1.9
255.17493	1.5
255.19572	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1745
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03942	0.9
54.66315	0.6
55.01862	1.9
55.05509	3.8
55.21122	0.7
55.46828	0.6
56.96555	1.7
57.03431	1.9
57.07064	1.6
67.05507	5.7
69.03426	0.9
69.07075	4.9
71.04984	2.3
71.42278	1.1
75.27035	0.6
77.19775	0.6
79.05497	7.6
81.07053	8.7
83.04982	7.4
83.08604	0.9
85.02895	1.1
85.06529	2.2
91.05481	6.8
93.07039	7.7
95.04960	2.6
95.08603	5.9
97.06527	2.5
97.10144	1.2
98.97592	1.4
98.98458	6.2
103.05487	0.6
105.07038	7.8
107.08589	8.0
109.06514	2.6
109.10171	2.3
111.04417	0.9
111.08089	1.7
113.05998	1.3
117.07037	2.2
119.08586	12.4
121.06506	1.4
121.10162	4.0
123.08043	2.0
128.06223	1.3
129.06969	2.5
131.07057	2.0
131.08534	4.0
133.10132	7.3
135.08084	4.2
135.11723	4.5
136.87981	0.6
141.06973	2.3
142.07751	4.3
143.08562	11.0
144.09354	1.9
145.10136	6.2
147.08063	1.6
147.11664	2.2
149.09645	1.5
153.06985	0.9
154.07771	1.0
155.08563	6.5
155.65970	0.8
156.09358	8.6
157.10138	16.3
158.10889	1.5
159.08012	0.8
159.11676	5.4
161.09650	3.4
163.11237	1.0
163.14890	1.9
165.07030	2.6
166.07756	0.8
167.08582	4.8
168.09360	2.3
169.10146	11.7
170.10895	3.8
171.11691	22.9
172.08754	0.9
172.12436	1.1
173.09627	3.5
173.13246	3.2
175.11174	2.1
179.08566	1.8
180.09354	2.5
181.10103	5.5
181.12320	1.1
182.10899	9.3
183.11682	9.5
184.12419	1.7
185.09615	2.1
185.13240	6.9
187.11209	3.1
191.10707	0.8
193.10135	3.0
194.10818	1.0
195.11707	9.4
196.12488	3.0
197.09575	1.4
197.13255	39.3
198.14006	2.6
199.11203	9.2
201.16452	1.3
207.11649	5.1
208.12555	2.6
209.13252	3.1
211.11281	0.7
211.14841	10.5
212.15581	8.6
213.12857	6.0
213.16362	19.0
214.13570	1.5
219.17438	1.3
222.14018	6.4
223.13277	1.6
225.12776	3.2
225.16432	0.8
226.13649	1.0
227.14359	0.9
227.17976	1.9
237.16412	13.6
237.18651	1.1
240.15132	3.2
255.17470	100.0
257.70923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40083	1.6
53.03954	3.2
55.01869	5.2
55.05268	2.3
55.05513	27.0
56.96553	2.4
57.03441	50.8
57.07068	5.2
57.83811	1.4
65.03922	2.2
67.05509	76.2
67.87596	1.5
68.32908	1.6
69.03401	2.1
69.06733	2.4
69.07072	28.7
71.01351	6.7
71.05009	7.3
71.53613	3.1
75.37553	1.3
79.05498	74.2
81.03422	9.8
81.07063	36.6
83.04986	20.8
83.08623	8.8
85.06541	5.7
91.05482	33.4
93.07049	82.4
95.04984	8.5
95.08603	17.5
97.06534	20.8
97.10188	15.7
98.98476	12.9
99.04475	3.3
99.08083	4.2
100.98817	1.4
105.07040	12.0
107.04955	4.7
107.08601	50.9
109.06503	2.2
109.10144	9.7
111.08067	4.8
111.11687	1.7
117.07019	11.0
119.08587	12.7
121.06523	4.0
121.10128	13.5
125.09646	4.3
128.06197	2.9
129.07030	5.6
131.08580	3.1
133.10117	7.3
135.08073	3.3
135.11699	100.0
137.09602	3.7
142.07780	3.5
143.08598	8.7
145.06516	1.6
145.10126	21.2
150.47626	1.4
151.11211	1.9
153.12744	3.6
155.08574	2.8
157.06551	1.6
157.10112	8.9
159.11699	1.8
163.11197	15.0
167.08585	2.6
169.10165	4.0
171.11719	4.6
173.09566	2.3
181.10072	3.3
181.12262	19.7
183.11729	3.1
185.09612	2.8
187.11171	2.2
191.10599	2.0
195.11726	4.3
199.11148	2.6
205.12267	1.6
209.13206	2.1
227.18010	2.0
237.16406	5.9
255.06453	2.9
255.15593	75.7
255.17828	10.2
257.65027	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03924	4.3
55.01851	5.1
55.05509	28.7
56.96548	3.5
57.03439	46.6
57.07058	5.5
59.04993	2.6
65.03931	2.5
66.70831	1.2
67.05508	77.0
68.89175	1.2
69.03396	2.3
69.07069	24.5
69.23953	8.8
71.01354	7.2
71.05005	10.0
71.08598	1.5
72.08110	1.2
79.05496	63.5
81.03415	8.7
81.07059	42.6
83.04585	1.1
83.04988	15.2
83.08635	7.8
83.85288	1.2
85.02909	1.7
85.06547	6.7
91.04990	1.6
91.05480	25.0
93.07048	76.2
95.04981	8.5
95.08614	17.4
97.05936	1.8
97.06528	28.7
97.09665	1.3
97.10172	18.4
98.97588	10.8
98.98472	8.1
99.04444	2.0
99.08068	3.6
105.05542	1.2
105.07050	9.2
107.04948	3.6
107.08598	51.5
108.72488	1.1
109.06479	2.6
109.10139	12.5
110.97529	2.0
111.04405	1.8
111.08037	4.9
111.11711	1.2
112.99010	1.5
113.05970	1.7
115.05479	1.2
116.98588	2.3
117.07038	6.8
118.63411	1.2
118.82193	1.2
119.08591	10.7
121.06461	2.8
121.09362	1.2
121.10147	15.3
123.08000	1.7
123.11708	1.9
125.05960	5.0
125.09579	4.1
130.07831	1.3
131.08527	2.9
133.10066	5.5
135.07982	5.0
135.11700	100.0
137.09595	3.0
139.07483	5.2
143.08560	2.2
145.10129	20.3
147.11674	1.7
149.13153	1.9
153.12680	5.1
157.10052	2.1
158.99605	3.0
159.07950	1.2
159.11644	2.8
163.10103	1.4
163.11185	15.3
167.06999	3.3
171.11688	2.6
173.09541	1.6
177.00719	2.7
181.12244	26.2
183.11588	1.5
191.14212	4.5
195.06506	1.5
195.11638	2.2
197.13228	1.3
199.13191	1.6
213.12674	2.1
213.16193	1.5
219.01569	1.5
219.13718	3.7
219.21051	1.3
230.86067	1.4
232.83150	1.2
255.06453	4.9
255.11241	2.6
255.15784	56.7
258.09573	1.3
279.88568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.46650	1.4
53.03914	4.6
55.01846	6.1
55.05511	25.7
56.96530	5.3
57.03439	49.8
57.07038	4.8
65.03916	3.1
67.05508	77.4
67.05843	3.2
69.03409	2.0
69.07072	24.8
71.01367	8.0
71.04987	9.5
71.08602	2.6
71.54355	2.0
75.07611	1.3
79.05495	65.5
81.03425	9.5
81.07061	45.2
83.04980	19.8
83.08605	8.7
85.02841	2.6
85.06555	8.4
85.10028	1.4
91.05484	27.6
93.07047	78.6
95.04980	9.2
95.08611	17.1
97.06534	25.6
97.10163	21.4
98.97557	3.7
98.98460	18.7
99.04407	3.3
99.08025	4.4
105.04498	1.7
105.07063	9.7
107.04921	3.5
107.08598	50.2
109.06441	4.4
109.10165	11.1
111.04417	3.2
111.08020	4.1
113.05936	1.7
115.05428	1.5
117.07034	10.3
119.08601	12.8
121.06425	3.9
121.10146	14.1
123.05531	1.7
123.11681	1.8
125.05967	2.1
125.09560	4.8
127.03906	1.5
129.06953	2.2
130.07719	2.5
131.08490	4.0
131.77139	1.2
133.10150	8.9
135.07964	3.9
135.11697	100.0
137.09547	2.7
139.07480	1.8
139.11163	1.3
143.08492	2.6
145.10117	16.3
149.09547	1.7
153.06830	1.4
153.12640	4.2
157.10039	3.4
158.99615	1.7
159.11588	3.4
163.11185	16.0
165.07027	1.6
167.06885	3.0
169.03368	1.9
169.10020	2.6
171.11603	2.7
175.14748	1.4
180.54018	1.3
181.10857	1.5
181.12250	24.4
184.94933	1.4
185.13092	1.7
191.87596	1.5
193.04941	1.8
195.06406	4.0
197.13213	2.7
199.13200	1.7
199.14764	1.4
201.16275	2.2
213.12622	1.9
217.57246	1.2
219.13753	2.1
221.66718	1.3
225.07469	1.5
227.11621	2.8
227.17786	1.8
236.94186	1.3
237.14722	3.6
237.18457	1.7
240.08855	2.3
255.06250	2.0
255.08810	1.5
255.11034	12.5
255.15675	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03947	3.1
55.01854	2.9
55.05515	25.2
55.05767	3.5
56.96550	4.6
57.03437	41.6
57.07052	5.4
58.70256	1.6
67.05505	78.9
69.03413	3.2
69.07073	25.5
70.02901	7.3
71.01322	6.3
71.04996	9.0
79.05494	73.5
80.11144	1.8
81.03429	13.5
81.07058	40.4
83.04507	1.8
83.04980	23.9
83.08617	8.2
85.02885	4.2
85.06518	5.4
88.09619	1.5
91.05476	31.0
93.07045	84.4
95.04982	10.2
95.08605	11.0
97.06531	23.4
97.09663	1.5
97.10167	18.5
98.97561	1.6
98.98465	13.2
99.08047	3.7
105.07000	6.8
107.04948	3.9
107.08594	52.1
109.06496	2.4
109.10154	9.7
111.04409	1.8
111.08080	3.9
115.05428	1.7
117.06983	11.1
119.08582	12.2
121.06451	5.4
121.10139	11.9
123.07961	2.0
125.09565	5.5
128.06165	2.4
130.07753	2.5
131.01750	1.6
131.08508	2.1
133.10144	7.8
135.08028	2.3
135.11693	100.0
136.93102	1.8
137.09573	2.8
143.08517	3.8
145.10136	20.7
153.12674	4.2
157.10168	2.1
163.10074	1.5
163.11163	16.4
169.10110	3.0
172.95216	2.1
181.12250	19.3
187.11156	2.7
188.99623	1.9
199.09300	2.1
213.16492	2.0
223.13148	2.1
234.11835	3.3
237.16461	2.5
255.15791	83.2
255.24953	3.2
256.26114	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
52.81591	1.3
53.03931	4.5
55.01852	4.0
55.05515	25.7
56.96548	3.0
57.03441	47.3
57.07076	5.7
65.03925	2.5
65.04940	1.2
67.05509	83.6
69.03409	1.6
69.07071	27.5
70.04382	4.4
71.01330	4.4
71.05005	7.3
79.05499	75.6
81.03434	10.2
81.07059	41.6
83.04985	24.6
83.08617	8.1
85.02885	2.6
85.06533	6.8
91.05483	28.4
93.07047	82.5
95.04970	8.8
95.08615	14.6
97.06538	24.2
97.10163	16.5
98.97588	4.0
98.98470	14.4
99.04432	2.6
99.08086	3.8
105.07052	8.9
107.04929	3.9
107.08600	53.8
109.06500	3.0
109.10151	10.9
111.08080	5.7
111.11680	1.3
112.99150	2.3
114.05982	1.0
117.07025	8.4
119.08600	13.1
119.85667	1.2
121.06505	3.4
121.10145	15.1
123.11716	2.0
125.05988	2.1
125.09628	5.2
133.10086	6.0
135.08032	4.1
135.11697	100.0
137.09601	3.9
143.08542	2.3
145.10141	19.6
153.06989	1.4
153.12769	3.1
157.10165	2.3
159.11690	1.4
163.11168	14.4
171.11679	1.5
177.00615	2.0
181.12239	19.6
195.06447	1.9
195.11711	1.5
195.13727	1.2
213.16396	1.6
223.13261	3.6
234.11961	1.5
237.14706	1.7
255.06430	2.4
255.15884	88.7
256.26318	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.02325	1.2
53.03933	3.6
55.01863	3.0
55.05511	24.7
56.96528	1.2
57.03437	43.0
57.07058	4.8
57.07318	0.9
57.43701	1.1
64.86786	1.2
65.03921	2.1
67.05504	71.0
69.03425	1.8
69.06741	1.7
69.07069	22.9
71.01353	5.3
71.04979	7.0
71.53896	1.2
74.66412	1.1
79.05493	66.7
81.03433	11.2
81.07056	38.4
83.04982	24.6
83.08610	7.7
85.02891	2.1
85.06548	7.7
91.05479	29.7
93.07044	69.0
95.04982	8.2
95.08614	13.1
97.05942	1.4
97.06529	18.8
97.10174	13.0
98.98474	7.3
99.04455	1.8
99.08060	4.0
105.07044	6.8
107.04935	5.1
107.08595	51.2
109.06503	2.9
109.10168	10.6
111.04382	1.1
111.08043	4.0
117.07001	8.1
119.06087	1.1
119.08573	12.9
121.06479	2.8
121.09459	1.2
121.10149	11.9
125.05939	2.1
125.09631	5.2
130.07779	2.2
131.08556	1.8
133.10117	6.0
135.08022	2.0
135.11691	100.0
137.09575	3.3
143.08519	1.6
145.10127	20.2
153.12703	4.5
153.26566	1.0
155.08537	1.6
163.11169	17.7
164.12819	1.1
167.96904	1.0
171.11646	1.8
171.52768	1.2
173.09607	2.4
180.54248	1.0
181.12218	20.9
191.10664	2.7
197.13194	1.6
223.13228	1.3
237.21780	1.3
255.06580	1.4
255.10129	2.7
255.15842	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41248	1.9
53.03942	6.3
55.01872	7.3
55.05514	29.2
55.35409	1.7
56.96561	6.5
57.03440	42.5
57.07071	8.3
65.95423	1.7
67.05509	85.9
67.34953	1.6
69.03429	3.4
69.07071	28.5
69.32681	14.1
71.01353	5.3
71.05006	9.1
71.08632	2.7
71.20633	1.7
79.05499	75.2
81.03428	12.0
81.07063	47.6
83.04990	32.0
83.08627	11.0
84.08153	2.1
85.02915	4.2
85.06550	7.5
91.05481	29.9
93.07048	83.0
95.04977	10.0
95.08607	22.2
97.06537	27.7
97.10172	13.7
98.97556	4.0
98.97812	2.7
98.98470	27.4
99.04423	1.9
99.08086	3.6
105.07050	13.3
106.93366	1.7
107.04962	6.0
107.08602	59.1
109.06534	7.4
109.10164	12.7
111.04466	2.3
111.08078	7.9
113.05978	3.2
114.92100	2.1
117.07035	14.3
119.08589	18.9
121.06533	4.7
121.10147	20.0
123.11674	2.3
125.05981	3.3
125.09639	5.9
127.03970	2.2
129.07021	3.5
130.07785	2.6
131.07068	2.9
131.08575	6.5
133.10143	10.7
135.08081	5.3
135.11699	100.0
137.09578	4.4
139.11145	1.9
143.07013	2.8
143.08542	7.6
145.10130	25.8
153.12686	2.1
155.08560	5.2
156.09363	1.8
157.10133	7.9
159.11768	4.7
161.09653	3.6
163.11209	13.1
163.14827	2.1
165.07153	3.3
167.08577	3.5
169.10164	5.9
171.11699	5.5
173.13226	2.3
175.14944	2.1
181.10146	2.6
181.12238	18.1
182.10942	6.3
183.11702	4.4
186.69794	1.9
187.11121	2.2
195.06523	2.8
195.11818	3.2
196.12321	1.8
196.72331	1.9
197.13277	19.5
199.11145	2.7
207.11765	2.2
211.14786	7.5
212.15594	5.5
213.12759	4.4
213.16434	5.8
219.13913	2.5
219.17673	2.3
223.13286	3.5
237.16547	3.5
237.18559	3.4
237.22098	2.3
255.10362	3.0
255.15953	62.8
255.17888	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	255.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
56.96559	0.9
57.03442	3.5
59.05012	0.6
61.02937	1.3
67.52578	0.2
69.03427	2.4
69.07071	0.4
70.05425	0.9
71.01345	0.7
73.02914	2.1
78.03453	1.0
80.05012	2.0
82.01453	0.2
82.99857	0.3
84.80888	0.3
85.02914	3.1
86.09711	2.3
87.04469	0.3
96.04486	0.5
97.02871	1.2
98.97565	0.2
100.02512	0.3
101.00898	2.5
103.03911	0.3
106.02921	6.1
110.07171	0.5
110.55388	0.3
115.02430	0.3
115.03936	1.6
118.03500	0.6
119.01929	4.0
123.05558	100.0
124.03960	1.0
127.03893	0.4
129.02106	0.2
131.01920	0.3
133.03452	0.3
133.04971	2.7
137.03008	0.6
143.01924	0.4
144.05171	0.3
145.03479	0.5
151.51025	0.2
153.05887	0.3
155.01961	0.4
158.06610	0.3
159.05009	0.4
161.02965	0.3
161.05525	0.7
168.08737	0.3
172.27914	0.2
174.04579	0.2
177.02412	0.3
179.02072	0.3
186.09749	1.5
189.03864	0.3
194.02867	0.2
197.02988	0.3
204.10866	0.3
214.09267	2.8
215.07565	0.3
232.10327	5.1
243.05360	0.5
243.55573	0.3
255.06375	0.5
255.09827	0.6
256.03159	0.3
267.69424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77603	2.0
57.03454	2.6
59.23676	1.6
69.03454	2.3
70.10777	4.3
70.11164	2.8
73.41831	1.8
76.03275	1.8
85.02902	3.4
94.70718	1.9
94.93021	1.8
98.21407	2.5
106.02937	4.4
112.89606	32.4
123.05558	100.0
133.04959	2.7
162.04828	1.9
170.99031	4.4
176.93581	2.3
181.96059	1.9
189.00148	2.6
213.00046	4.4
231.01227	4.0
255.06302	21.5
255.67496	1.9
257.79404	2.0
276.56201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06532	0.2
55.01875	1.7
57.03439	3.3
57.70102	0.2
59.04997	0.4
61.02918	0.6
65.77021	0.2
67.83750	0.2
69.03437	1.5
71.01366	1.1
71.51859	0.3
73.02927	2.1
78.03465	1.2
80.05025	2.0
85.02913	2.4
87.04459	0.5
96.04490	0.5
96.31422	0.2
97.02889	0.8
100.84314	0.2
103.03918	0.4
106.02922	5.8
110.07137	0.3
115.03949	1.2
123.05559	100.0
124.03973	2.0
124.04778	0.3
124.05951	0.3
133.04974	2.8
139.03429	0.3
145.54501	0.2
155.01868	0.2
187.05469	0.3
255.06699	0.2
255.09840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
56.96560	3.3
57.03430	1.1
57.08268	1.2
58.96404	1.0
61.02942	7.3
70.06558	1.9
70.11524	5.6
71.01355	5.8
75.04482	16.7
81.03426	1.6
85.02910	1.9
87.04477	3.2
89.02388	3.0
98.97617	2.1
98.98488	3.9
103.03941	17.0
119.06105	1.8
125.47189	1.1
127.04043	1.1
131.03407	5.3
149.07149	1.9
159.02907	40.0
165.06673	3.4
170.08087	2.3
170.23605	1.1
174.81143	1.2
181.10962	1.7
187.02296	5.6
210.14941	5.8
219.05019	100.0
230.98315	1.2
253.58289	1.3
254.04741	1.5
254.11514	2.8
254.13805	1.4
254.17549	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03658	1.1
55.01851	1.7
55.20015	1.1
56.96561	1.9
57.02284	1.2
58.38702	1.2
61.02937	6.1
61.03198	1.3
63.48602	1.3
69.84127	6.9
71.01353	8.0
71.86690	1.4
75.04483	12.3
85.02926	1.4
87.04459	5.9
89.02390	2.6
98.98468	3.0
103.03939	19.2
117.83177	1.3
120.08157	1.8
121.04973	1.5
121.08437	2.4
131.03391	6.4
159.02893	50.8
186.10274	1.4
186.12328	1.2
187.02448	3.1
197.54373	1.3
210.14897	1.7
219.05008	100.0
254.13799	2.4
254.17535	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.1
60.08167	83.9
65.03951	4.3
67.10997	0.7
70.65040	1.4
70.65382	1.0
80.16814	0.8
89.03933	1.1
89.91291	0.8
91.05091	0.7
91.05492	7.4
93.02836	1.3
93.03413	25.8
95.03018	0.8
95.04949	1.3
103.06774	0.7
110.03648	1.2
111.04430	9.3
119.04958	6.0
121.06509	2.3
125.06000	43.7
134.03658	1.1
149.05988	86.5
151.07510	1.2
153.05476	100.0
177.05453	5.8
186.99165	1.7
195.06540	75.0
248.99161	1.6
254.13879	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13564	0.5
52.97450	0.6
53.05099	0.5
55.01868	1.6
55.08831	0.6
55.59959	0.6
57.03446	3.2
61.02930	1.4
69.03432	0.9
69.96126	3.3
71.01370	0.9
72.50419	0.6
73.02911	2.9
80.05007	2.7
80.48061	0.6
85.02917	3.9
93.05514	0.8
95.24973	0.6
96.00598	0.5
97.02886	1.4
98.98483	1.7
99.59930	0.7
106.02925	6.1
110.07154	1.4
115.03919	1.0
121.70742	0.6
123.05561	100.0
124.03967	1.0
133.03487	0.8
133.04994	2.9
138.19499	0.6
151.64302	0.7
196.18170	0.8
245.04973	0.7
255.06389	4.7
255.09932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03954	1.2
55.01863	2.4
55.05277	1.1
55.05514	14.5
56.96566	5.7
57.03421	2.9
57.07079	5.9
59.37578	1.0
67.05193	1.4
67.05508	22.6
69.03082	1.2
69.03416	7.4
69.07072	14.0
70.06632	1.2
70.25018	2.5
70.25415	2.6
71.05005	5.9
71.08643	1.3
71.59925	1.1
72.88820	1.3
73.02909	1.1
77.23517	1.2
79.05496	27.3
81.03401	3.2
81.07059	38.6
83.04965	5.1
83.08632	8.1
84.63544	1.1
85.02888	1.4
85.06535	4.5
91.05480	16.9
93.06506	1.6
93.07049	16.2
95.04969	5.5
95.08607	25.0
97.02863	2.1
97.06524	7.1
97.10169	7.8
98.97608	7.5
98.98469	100.0
99.04462	1.5
99.08086	2.5
100.98883	1.8
105.07028	13.2
107.04910	1.8
107.08597	44.4
109.02875	1.7
109.06507	5.1
109.10167	11.6
111.04453	1.6
111.08070	7.3
111.11732	1.6
112.99121	2.9
113.05987	1.3
116.98585	3.0
116.99445	2.2
117.07004	2.9
119.08591	14.2
121.02878	6.6
121.06485	4.0
121.10140	24.4
123.04439	2.5
123.08069	2.7
123.11697	3.2
124.46738	1.2
125.09634	11.6
129.07013	1.7
131.00130	2.4
131.08559	2.8
133.10144	9.5
135.08054	1.6
135.11702	6.3
137.09628	3.7
137.13268	2.1
139.07549	2.0
141.09099	9.4
143.08643	3.0
143.10681	41.3
145.10120	3.4
147.11720	7.5
149.01222	1.5
149.13327	2.3
151.11163	2.9
157.10118	3.7
158.97659	12.5
158.99701	2.6
159.11719	2.1
159.98094	1.5
160.97365	5.0
161.09567	1.6
161.13249	4.0
165.09157	1.5
165.12772	2.8
171.11662	2.9
173.01187	2.2
173.13062	1.2
174.99202	3.1
175.14862	2.2
176.98988	2.3
177.00705	2.1
189.12706	1.6
191.02289	2.3
193.12186	1.6
197.11674	2.4
197.13289	1.9
199.14830	4.5
207.13832	1.3
213.59308	1.3
217.12151	3.5
217.15938	5.6
217.19502	8.0
219.01997	1.3
229.07489	1.4
230.07835	2.8
235.13324	6.5
235.16879	6.9
235.20541	4.3
253.08377	4.4
253.17874	16.6
253.21596	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	253.1797
Annotation	Elongatol C
Peak:m/z	Relative Intensity
53.03951	2.0
55.01631	2.0
55.01875	24.8
55.05516	7.9
56.96562	4.7
57.03434	4.5
57.07072	2.8
59.06551	1.1
67.05511	11.3
69.03425	2.1
69.07073	8.3
70.24669	3.5
70.98122	1.2
72.14787	1.1
79.05495	15.4
81.03437	1.7
81.07059	49.1
83.04981	18.6
83.08621	4.1
85.06514	1.8
91.05480	28.4
92.05797	7.8
93.07037	28.4
93.93137	1.0
95.04990	2.7
95.08617	16.3
97.02943	1.4
97.06525	4.1
98.98466	100.0
99.08076	1.5
100.98934	1.2
103.03958	8.3
105.03416	1.1
105.07027	16.0
107.08593	26.0
109.06514	4.7
109.10179	5.3
109.40101	1.1
111.04469	1.2
111.08076	7.8
113.05999	4.3
116.99511	2.1
117.07035	4.2
119.08595	18.4
121.05025	1.5
121.06499	1.7
121.10145	2.3
123.08080	1.8
125.06065	1.3
125.09649	1.9
129.07016	2.7
131.07027	9.2
131.08551	8.7
133.10150	10.8
135.08110	1.6
135.11694	38.7
135.12727	2.1
137.09610	1.7
137.13287	2.7
142.07780	2.2
143.08556	10.7
144.09314	1.5
145.10155	8.2
147.11729	3.3
149.09555	1.3
149.13264	5.6
151.11224	1.3
151.14880	2.6
153.09137	1.7
156.09375	1.1
157.10132	14.1
159.10266	3.7
159.11685	25.3
161.09599	2.3
161.13266	7.0
163.14755	1.3
165.09096	1.7
169.10146	1.4
171.11694	3.4
173.13261	5.3
174.99234	3.0
175.11172	2.0
175.14868	1.4
176.99019	2.2
177.12778	2.8
179.10793	2.2
187.14812	13.2
189.16386	3.2
191.10225	3.1
193.12350	1.4
197.11685	2.2
199.14844	15.9
205.15985	7.1
217.15901	6.8
235.16920	16.8
253.14163	12.1
253.17905	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	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03943	1.8
55.01874	5.7
55.05517	8.5
56.96555	1.7
57.03435	5.8
63.06808	0.8
65.03931	1.6
67.05506	22.5
69.03426	5.0
69.07072	7.3
70.78264	2.0
71.04996	6.4
76.30038	0.9
77.03950	1.6
79.05500	29.2
81.07064	55.8
83.04982	7.2
83.08637	4.4
83.31403	0.9
83.61462	0.8
83.64954	0.9
85.06558	5.8
90.36092	0.9
91.05486	45.3
93.07047	41.8
93.07639	2.3
95.04980	13.9
95.08614	23.4
97.02865	2.2
97.06535	16.5
97.10150	0.9
98.97545	1.9
98.97723	1.7
98.98473	33.5
99.04460	9.0
100.11269	2.0
101.06030	1.1
103.05460	1.7
105.07037	40.7
107.04972	8.1
107.08603	22.5
108.25841	0.9
109.06521	32.4
109.10155	8.1
111.04486	1.4
111.08104	4.8
112.99139	1.1
113.05979	2.8
115.05406	1.7
117.07020	4.0
119.03361	0.9
119.04944	2.5
119.07800	1.5
119.08590	18.5
121.06511	100.0
121.10113	4.4
123.04434	4.4
123.08077	5.8
123.11730	1.5
125.05983	5.3
125.70570	1.0
127.07571	10.5
128.06209	3.8
129.07022	5.4
131.00107	1.1
131.08598	6.8
133.06528	4.5
133.10136	48.9
135.04411	5.9
135.08057	10.6
135.11691	3.3
137.05962	3.7
139.07559	14.4
141.05461	1.9
141.06969	1.1
142.07762	5.1
143.07071	1.8
143.08566	10.3
145.10152	7.6
147.04402	1.0
147.08043	4.5
147.11691	28.3
149.09601	1.2
149.13181	1.3
151.07521	1.5
151.11192	3.9
155.08524	1.5
156.09323	3.5
157.06474	1.7
157.08751	1.7
157.10120	12.0
158.07222	1.3
158.99631	1.6
159.06557	1.6
159.08029	1.7
159.11638	1.4
161.05984	2.0
161.09645	8.1
161.13255	12.5
163.14796	2.4
165.06979	1.5
165.12770	4.3
166.07784	4.1
168.13821	0.9
171.08125	1.7
171.11700	17.5
173.09628	2.9
175.11192	18.1
176.33026	0.9
179.10625	1.7
181.10110	7.2
184.08809	3.2
189.12762	24.2
191.10590	1.5
193.12262	16.2
199.11191	32.9
207.13820	13.1
211.13255	2.1
217.12247	94.5
231.08899	1.9
235.13304	47.5
235.17035	1.8
253.14345	46.8
253.19868	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
55.05513	1.3
56.05037	1.7
56.96568	3.7
57.03438	2.5
57.07085	1.0
58.06602	0.9
59.05002	2.5
60.04521	0.8
60.08164	0.7
61.02930	2.1
62.10065	0.6
67.05505	2.2
67.27660	0.5
69.03429	6.6
69.07074	1.9
69.71160	1.1
69.71538	2.5
70.06602	2.4
71.04995	1.9
72.08165	1.2
73.02924	0.9
73.06561	100.0
74.06100	1.4
77.22152	0.5
81.03435	2.4
81.07072	1.7
84.04516	3.6
84.08148	5.4
85.02911	24.0
86.09705	3.3
91.03968	0.6
91.05504	1.2
91.07601	5.9
93.07058	1.1
95.05000	1.2
95.08643	1.4
97.02905	5.4
97.06532	0.7
98.97575	3.1
98.98474	59.1
99.04472	1.2
100.98956	0.6
102.05573	1.1
107.04953	0.7
109.02902	1.9
109.10149	0.8
110.07179	3.2
111.04480	0.7
112.99144	8.6
116.07096	0.6
116.98663	1.1
116.99502	0.9
119.04914	0.6
119.08584	0.7
120.08102	4.9
121.02882	0.7
123.04427	1.4
124.03979	0.9
124.07536	0.8
125.04326	1.2
125.06030	0.7
127.03952	4.2
129.10240	3.3
131.00182	8.0
136.06227	1.8
136.07660	1.0
141.05453	0.6
143.00110	0.7
145.04948	3.2
147.11380	0.6
148.97456	1.3
149.01210	4.6
150.06447	0.7
151.03923	1.4
156.07713	0.9
161.01268	0.6
162.05585	1.5
166.98634	0.7
169.04433	0.8
173.48744	0.5
174.99217	1.4
175.02835	0.7
176.98952	1.6
180.09122	0.7
187.56024	1.0
188.92415	0.7
189.00963	0.6
193.03925	0.8
194.05374	0.7
194.55463	0.5
197.11789	2.0
209.00641	0.7
211.05008	1.0
227.01799	1.7
235.04890	5.7
253.02258	2.4
253.06131	3.7
253.12379	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	253.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01888	0.9
55.05515	4.6
56.68335	0.6
56.96566	1.0
57.03421	1.1
57.07068	2.1
62.75867	0.6
67.05508	9.5
69.03413	2.0
69.07075	5.2
71.04998	2.8
71.54651	0.7
79.05502	4.7
81.03403	1.2
81.07063	13.2
83.04986	2.3
83.08626	3.2
85.02911	0.6
85.06537	1.8
91.05492	4.4
92.80083	0.6
93.07033	6.6
95.04988	1.6
95.08611	10.2
97.02873	1.3
97.06526	2.4
97.10178	1.2
98.97590	2.8
98.98470	43.4
99.08078	0.8
101.06004	1.6
105.03371	0.8
105.07036	5.2
107.04917	0.5
107.08595	7.3
109.02872	0.5
109.06510	1.9
109.10159	5.9
111.08019	1.3
116.98636	1.1
116.99477	1.0
119.01829	0.6
119.08582	4.6
121.02878	1.0
121.06493	1.3
121.10143	5.8
123.08051	1.3
123.11681	1.6
125.09595	0.9
127.03903	0.8
129.06996	0.5
131.00201	0.9
131.08607	0.9
133.10146	4.9
135.08049	1.3
135.11703	3.7
137.09598	1.4
141.09091	1.3
143.08640	1.0
143.10716	3.0
145.10104	0.8
147.11723	3.2
149.01288	0.6
149.13248	1.8
150.03577	0.6
150.69867	0.5
151.11176	1.4
157.10115	1.4
158.99678	1.6
159.11644	0.7
161.09636	1.8
161.13249	2.2
171.11659	0.9
174.99232	1.1
175.11206	1.4
175.14832	1.3
176.98985	0.9
177.00677	1.0
183.11786	0.7
183.79015	0.6
189.12775	2.1
189.16327	0.8
193.12283	1.0
195.08296	0.6
197.11720	1.3
199.14737	0.7
205.15836	0.9
217.12259	1.7
217.15901	2.1
217.19484	2.8
231.08833	1.1
235.13139	3.0
235.16815	2.9
235.20607	1.3
253.14128	100.0
253.18260	2.5
253.21451	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03941	1.0
54.52568	0.7
55.01871	1.4
55.05516	4.4
55.36680	0.7
56.96555	2.6
57.03419	1.4
57.07085	4.1
59.04986	3.6
59.08371	0.8
67.05509	9.9
69.03449	3.6
69.07068	4.9
70.00893	3.4
71.04996	74.7
72.08142	0.7
79.05498	9.5
81.03403	2.8
81.07066	11.2
83.04984	15.2
83.08630	4.1
85.02870	1.4
85.06529	2.8
87.04474	1.2
91.05493	7.1
93.07054	11.1
95.04379	1.1
95.04972	17.3
95.08614	7.5
97.06532	13.9
98.20821	1.2
98.98470	87.6
99.04444	2.1
103.05470	0.7
105.07026	8.7
107.04938	3.3
107.08598	13.1
109.06519	4.7
109.10159	7.0
111.08088	2.3
113.05997	2.7
113.09622	0.9
116.99493	1.2
117.07009	3.2
119.08582	6.8
121.06486	3.1
121.10150	18.7
123.08087	7.9
123.11685	4.9
125.05997	39.6
129.06958	0.9
130.07715	1.0
131.08566	6.2
133.06442	1.0
133.10103	2.7
135.08038	2.9
135.11678	5.0
137.05936	0.8
137.09593	3.6
139.07463	0.9
139.11133	0.9
140.01070	1.0
143.08653	1.0
145.10117	8.2
147.08002	3.1
147.11679	2.9
149.09624	10.2
149.13242	0.9
151.07544	9.2
151.11247	1.0
155.10678	1.7
157.10083	1.3
159.08109	1.5
159.11667	3.2
160.84746	0.8
161.09663	1.0
163.11189	57.3
165.09113	1.9
165.12668	1.1
167.10669	1.3
169.10164	1.2
171.11659	0.9
173.09549	1.2
173.13203	1.8
174.99229	4.0
175.11200	2.6
177.09081	4.0
177.12672	1.0
181.12242	25.8
187.11140	1.5
187.14784	2.1
189.12759	2.9
191.14265	1.7
193.12221	2.6
195.10162	2.8
197.13193	1.3
205.16035	1.1
207.13737	2.2
209.15434	0.9
215.14284	4.1
233.11716	1.2
233.15356	15.4
233.19043	1.1
251.12764	5.8
251.16428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Deodardione
Peak:m/z	Relative Intensity
51.02389	0.6
53.03936	1.2
55.01863	1.6
55.05513	5.9
56.96561	0.9
57.03434	0.9
57.07063	1.1
59.04986	2.0
65.03956	0.4
67.05506	6.3
67.94717	0.4
69.03428	2.3
69.07069	9.5
70.44004	1.4
71.04996	2.5
79.05488	7.9
81.03399	1.5
81.07059	11.1
83.04987	9.4
83.08602	1.3
85.02859	0.8
85.06522	1.3
91.05480	6.7
93.07047	27.0
95.04980	4.3
95.08614	10.0
97.02869	0.9
97.06528	3.7
97.10186	0.9
98.98470	54.6
99.04453	2.7
103.05449	1.0
105.07029	10.4
107.04957	2.3
107.08591	8.2
109.06505	5.8
109.10175	3.6
111.04440	10.7
111.08077	2.0
111.11728	2.7
112.99142	0.9
116.99508	1.6
117.07021	2.8
119.04939	1.1
119.08586	4.1
121.06514	4.9
121.10148	37.2
123.08061	2.6
123.11730	1.0
125.05984	1.9
125.09623	1.5
127.07519	0.5
128.06229	0.8
129.06993	1.7
130.07742	0.6
131.00197	0.9
131.08588	4.0
133.06493	1.3
133.10143	2.7
134.09720	0.5
135.08072	1.7
135.09978	1.1
135.11697	2.2
137.05960	3.1
137.09608	1.4
139.07524	2.1
139.11171	2.2
141.06918	0.5
143.08543	2.0
144.09351	0.8
145.06502	1.3
145.10121	11.6
147.08018	0.9
147.11664	1.9
149.01216	1.0
149.09624	13.8
151.07570	1.3
153.09076	0.6
155.08527	0.6
157.08623	1.1
157.10091	1.0
158.99611	0.6
159.08075	1.3
159.11696	5.9
161.09653	0.9
161.13258	0.9
163.11172	4.1
167.10678	100.0
169.10117	2.0
171.11641	1.0
172.08775	0.6
173.09615	3.7
173.13268	1.3
174.99225	3.2
175.11171	1.1
177.09047	1.3
177.12782	1.5
179.06850	0.4
179.08551	0.8
181.12248	1.6
187.11195	8.8
187.14851	0.9
189.12756	1.2
191.10687	4.0
191.14311	0.8
193.12245	0.9
197.09602	2.0
205.12233	4.2
209.15367	1.3
215.10686	9.4
215.14290	1.5
215.17924	0.6
233.08060	0.6
233.11778	6.7
233.15315	3.4
233.19089	1.1
251.08546	2.8
251.10956	0.8
251.12656	9.5
251.16449	14.6
251.20233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
51.64368	1.6
53.03930	2.7
55.01866	2.8
55.05518	9.2
56.96572	2.8
57.07058	7.9
59.05008	8.4
67.05509	13.6
69.03430	11.3
69.07068	10.1
69.90165	1.7
71.04994	50.4
71.27014	2.0
79.05494	12.6
81.03400	3.8
81.07059	18.6
83.04992	14.4
83.08617	12.0
84.96019	1.8
85.02892	3.3
85.06513	8.6
91.05479	12.3
91.38197	2.1
93.07059	14.6
95.04974	15.9
95.08616	15.5
97.06532	16.1
98.97582	7.6
98.98470	48.0
99.04424	2.7
99.08066	2.4
105.04496	2.1
105.07030	17.1
107.04935	6.9
107.08594	22.8
109.06495	6.7
109.10162	15.5
111.08102	8.9
113.06042	11.0
115.07564	3.9
117.07006	6.9
119.08574	31.7
121.06505	7.2
121.09338	2.6
121.10143	34.0
123.08079	12.8
123.11687	7.3
124.99146	2.1
125.06004	17.9
125.09615	2.5
129.07002	3.2
131.06993	2.1
131.08557	12.6
132.64359	1.6
133.06454	2.6
133.10130	12.5
135.08043	4.9
135.11694	5.8
137.09613	51.1
142.07787	2.2
143.08592	2.0
145.10156	25.6
147.08047	72.0
147.11697	12.6
149.09622	15.2
149.13210	2.2
151.07495	7.9
151.11186	3.8
151.14774	4.0
153.09071	5.7
154.01671	1.9
155.10640	5.8
157.10135	4.2
158.99596	4.0
159.08026	3.0
159.11665	3.9
160.08801	2.5
161.13242	2.6
163.11176	50.2
163.14766	2.4
165.09085	2.1
165.12750	2.2
171.10207	1.9
171.11700	2.5
173.09618	6.5
173.13277	9.0
174.99246	2.3
175.11172	17.0
177.09062	3.6
179.14307	20.4
181.12234	11.1
187.11366	1.9
187.14836	8.4
189.12758	2.1
191.10606	3.2
191.14323	11.7
193.12221	7.1
195.10089	2.5
196.08417	2.0
197.13229	2.7
205.15878	7.3
207.13828	7.2
215.14355	13.1
225.53868	1.7
227.29031	1.8
229.18341	1.7
230.07956	8.5
233.15359	67.1
239.08560	4.3
251.12761	15.8
251.16428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
52.17383	0.6
53.03938	2.0
55.01879	1.6
55.05313	0.5
55.05516	5.8
56.96575	5.0
57.03429	2.0
59.04995	0.8
62.31109	0.7
65.03943	0.9
67.05509	19.6
67.60583	0.6
68.37370	0.6
68.55230	0.7
69.07076	5.1
71.04991	2.5
79.05501	19.8
81.03455	3.5
81.07064	22.2
83.04993	1.9
83.08629	2.9
84.95969	0.7
85.06565	1.2
90.48224	0.6
91.05489	28.9
93.07054	13.7
95.04994	6.4
95.08062	1.0
95.08617	10.7
97.06541	1.9
98.98475	100.0
101.06052	0.9
103.05467	1.5
105.07038	25.3
107.04963	7.8
107.08608	7.0
109.06519	6.3
109.10156	4.8
111.08096	1.0
113.06032	0.7
115.05499	0.8
116.99509	1.3
117.07018	8.8
119.08585	18.8
121.06519	3.1
121.10162	3.7
123.08093	1.6
123.11719	1.4
128.06190	0.8
129.07018	3.8
131.08580	17.7
133.06490	1.6
133.10141	4.8
135.08075	2.4
135.11723	0.8
137.06026	0.8
137.09677	1.8
140.01088	1.0
141.07013	1.8
143.08595	1.6
145.06439	0.9
145.10141	5.8
147.08089	1.9
147.11737	0.8
149.09653	2.1
155.08586	2.2
157.10127	0.8
159.11728	2.8
163.07532	0.8
163.11198	0.7
167.10788	0.7
169.10164	1.8
171.11707	3.5
173.13269	3.8
174.99234	4.9
179.56375	0.7
187.11224	0.7
187.14883	3.5
197.13333	2.8
205.15912	2.1
213.08015	1.1
215.14340	3.6
233.15390	18.6
244.91273	0.6
251.16383	5.2
251.20155	1.4
269.10654	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	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03937	2.4
55.01853	2.4
55.05513	7.9
56.96568	6.7
57.03444	4.0
57.07063	1.3
59.04993	2.3
65.03934	1.7
67.05511	21.9
69.03423	2.5
69.07070	10.4
70.15520	1.6
70.15881	1.9
71.04996	3.9
74.67252	0.7
77.41075	0.9
79.05502	13.0
81.03426	34.0
81.06597	1.4
81.07063	26.1
83.05000	4.4
83.08611	2.6
85.06528	2.6
91.05490	13.3
93.07051	11.7
95.04978	26.3
95.08618	13.2
97.02306	1.5
97.02877	1.3
97.06552	4.0
98.98475	100.0
101.06044	1.9
103.05429	1.0
105.07034	12.1
106.02828	1.7
107.04951	4.3
107.08603	8.6
109.06522	15.9
109.10164	4.8
111.08058	2.2
112.99142	5.7
115.03362	2.1
116.98640	1.0
116.99463	1.5
117.07021	4.5
119.08585	10.2
121.06505	8.5
121.10152	6.4
123.04401	1.3
123.08077	4.9
123.11694	3.1
125.06002	1.3
127.07504	1.0
129.06979	2.9
131.00171	7.4
131.08560	15.7
133.06451	0.9
133.10124	3.4
135.08046	4.7
135.11708	2.1
137.05962	1.7
137.09584	2.3
139.07498	0.9
141.07095	1.4
143.08583	1.6
145.10144	8.1
147.08035	3.1
147.11681	6.3
149.01253	4.3
149.09634	2.1
149.13359	1.9
155.08537	1.1
159.11691	3.5
161.13263	2.5
163.11200	4.9
169.10065	1.8
171.11667	3.2
173.09596	0.9
173.13229	3.6
174.07922	1.0
174.99254	5.7
186.99529	1.0
187.11156	0.9
187.14836	10.1
189.12790	1.8
191.14313	1.6
192.08972	1.5
193.12199	1.2
197.13211	4.2
205.15802	3.1
215.14272	5.0
215.17746	1.0
217.07657	1.0
219.13823	2.6
221.09323	3.7
229.07506	1.4
233.15405	18.3
242.11594	3.8
251.05048	0.7
251.08694	1.4
251.12302	10.2
251.16304	21.0
251.20322	1.9
269.10519	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	251.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01872	1.5
55.05514	6.8
56.44778	0.7
56.96561	2.0
57.03437	5.4
57.07076	8.6
59.05007	8.5
59.66083	0.8
65.03934	1.0
67.05517	10.6
69.03437	4.5
69.07073	24.3
70.97230	1.5
70.97559	1.1
71.04999	2.5
71.08636	0.8
72.68346	0.7
77.01612	0.8
77.38193	0.6
79.05491	6.0
81.03407	1.4
81.07064	11.2
81.52312	0.7
83.04983	3.2
83.08621	2.1
84.08148	1.2
85.02921	0.9
85.06553	3.3
86.09726	1.8
87.04475	3.6
89.03894	1.1
91.05475	7.1
93.07051	11.0
94.88472	0.8
95.04968	2.5
95.08612	26.1
97.02882	1.3
97.06531	6.8
97.10165	0.8
98.98473	100.0
99.04465	1.8
99.08102	10.2
101.06031	1.1
103.05480	0.7
105.07038	6.1
107.04954	0.8
107.08591	15.1
109.06512	2.6
109.10165	13.4
111.08092	12.4
111.11704	3.6
115.05463	0.9
116.98653	0.9
116.99502	1.1
117.03375	1.7
117.07024	2.7
119.08596	4.2
120.08124	1.1
121.06519	3.2
121.10127	4.4
123.04395	1.1
123.08067	1.6
123.11702	2.3
124.07607	1.2
125.00063	0.8
125.06002	1.9
125.09612	1.9
128.06183	0.8
129.07004	1.0
131.00166	0.9
131.08568	3.2
132.95802	1.0
133.06531	0.9
133.10158	3.4
135.08047	1.6
135.11690	19.3
137.06049	0.9
137.09659	1.8
142.07846	0.8
143.08575	1.1
145.02861	3.8
145.06442	0.9
145.10117	4.5
147.04402	1.0
147.08061	1.0
147.11691	2.2
149.09605	2.7
149.13271	1.0
151.11179	3.4
151.12265	0.8
153.12750	39.5
155.08496	0.8
157.10002	0.8
158.99678	1.1
159.08112	1.1
159.11702	2.5
161.13243	1.3
162.03284	0.7
163.03873	1.6
163.07451	0.8
163.11151	1.9
165.09146	1.1
169.06482	0.8
171.13824	1.5
173.09688	1.6
173.13293	1.8
174.99248	5.8
175.11195	1.1
177.05511	5.2
177.09062	1.6
178.05005	0.9
183.26755	0.7
187.14731	1.3
195.10083	1.0
197.13174	1.3
205.08548	1.3
205.12329	1.1
205.15878	2.4
215.07021	1.7
215.14333	1.1
215.17973	1.8
230.08234	1.0
233.08022	1.2
233.15363	4.7
251.09477	53.1
251.16318	8.2
251.20026	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	250.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05499	0.8
55.93488	0.3
56.96558	1.1
57.03426	0.6
58.06591	0.4
61.02929	1.1
65.39413	0.3
69.03426	2.8
69.07063	0.8
69.78936	1.1
69.79347	0.6
70.06592	2.2
71.04983	0.5
72.08139	0.5
72.49659	0.4
72.84130	0.3
72.93819	0.4
81.03422	0.9
83.05035	0.3
84.04484	0.2
84.08161	0.6
85.02908	14.8
86.09709	0.8
87.04439	0.4
88.07632	100.0
90.94832	0.8
97.02881	2.6
97.06523	0.8
98.97581	0.8
98.98467	2.4
99.04459	0.8
102.09167	1.6
109.02908	1.5
112.99142	0.9
127.03905	2.7
128.98663	0.4
131.00163	0.7
131.96185	0.4
132.95860	1.2
136.06195	9.1
145.04970	1.7
146.97421	0.7
149.96086	0.4
150.96909	0.7
158.99658	0.6
163.97722	0.4
166.21315	0.3
168.03561	0.4
174.11328	0.7
178.05060	0.4
182.06969	0.6
189.99275	0.8
191.97221	0.5
205.98528	0.3
211.04530	0.3
226.66035	0.3
227.04152	0.4
250.02454	0.6
250.09259	0.9
250.12900	5.0
250.16649	0.5
250.19933	0.4
251.02037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94611	0.2
55.05500	0.5
55.93519	0.4
56.96553	0.9
57.03423	0.7
58.06592	0.6
59.07371	0.2
60.14141	0.2
63.97652	0.3
67.01860	1.1
67.05491	0.3
69.03424	0.7
69.07043	0.5
70.06586	0.5
70.91872	0.3
70.92195	0.3
72.08141	0.4
72.93782	0.5
79.05459	0.5
81.07047	0.3
84.08112	0.4
85.02889	0.8
86.09692	0.7
88.07618	0.9
90.94830	0.6
91.05466	0.4
94.04082	0.4
97.02893	0.9
97.06528	1.0
97.33204	0.3
98.75493	0.2
98.97584	1.1
98.98461	2.3
101.06016	0.4
102.09177	3.5
106.02833	0.3
110.07150	0.3
110.97580	0.3
112.99109	0.7
116.98599	0.4
118.08651	0.4
119.03526	1.0
121.02888	0.5
121.06449	0.3
128.98640	0.3
131.00153	0.7
131.96130	0.3
132.95805	1.3
136.06189	100.0
137.04625	0.3
145.97704	0.5
146.97438	0.6
150.96904	0.8
158.99658	0.3
163.03958	0.3
163.97607	0.4
169.06290	0.3
174.96953	0.4
178.04985	0.5
182.05457	0.3
182.07014	0.9
189.99182	0.4
191.97185	0.6
193.03804	0.3
205.40866	0.3
206.26161	0.2
226.89998	0.2
232.09831	0.3
244.00842	0.3
250.09398	17.2
250.13026	5.6
250.16547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	8.8
55.01857	5.5
55.05515	23.4
56.96561	14.2
57.07074	3.9
59.04990	7.6
65.03943	4.5
67.05504	39.4
69.03419	6.2
69.07071	31.6
71.04996	6.8
71.40108	2.4
79.05495	80.5
81.03420	6.0
81.07059	49.3
83.04973	3.8
83.08622	9.5
83.64638	2.3
85.06528	7.9
90.19571	2.1
91.05481	38.0
93.07049	100.0
95.04985	20.7
95.08611	30.6
97.06519	10.0
97.10198	2.6
98.46717	2.2
104.99263	5.0
105.07033	32.0
107.04965	3.5
107.08600	85.2
109.05803	3.8
109.06520	60.7
109.09470	3.6
109.10165	42.1
111.04401	2.4
111.08083	4.3
111.11736	4.1
113.09603	2.7
117.07008	3.5
119.08584	27.5
121.06496	8.0
121.10150	54.1
123.04359	2.3
123.08051	8.7
123.11739	11.1
131.08578	14.6
133.10141	23.3
135.08070	18.1
135.11693	30.3
137.09555	4.5
143.08585	7.2
145.10115	7.9
147.08043	4.7
147.11693	11.0
149.09621	8.9
149.13255	4.5
151.11191	7.2
153.09073	3.3
153.12717	5.8
157.10124	9.5
159.11623	3.3
161.09583	6.9
161.13239	4.1
167.10709	3.2
171.11710	10.2
173.13271	15.3
175.11169	7.8
175.14867	2.8
179.10686	3.3
185.04823	4.7
189.09085	2.9
189.12691	2.9
189.16406	5.9
193.12234	2.8
199.14856	3.2
203.05919	8.1
203.14334	3.5
203.18016	2.8
205.15869	2.8
209.16611	2.2
213.16356	12.1
217.16019	2.7
226.11197	7.4
231.13818	3.5
231.17435	15.9
249.14790	10.6
249.18518	83.5
249.21436	4.5
249.22112	4.1
267.09058	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	249.1852
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.98110	0.9
53.03948	7.6
55.05499	4.1
59.04989	2.1
67.05513	26.4
69.07056	3.9
69.14227	0.9
69.19144	1.6
69.19546	9.2
71.31787	1.1
73.06556	1.2
77.03904	1.0
77.39292	1.0
79.05499	35.4
81.03403	1.2
81.07060	12.0
83.04972	1.5
83.08611	2.3
85.06529	3.1
91.05494	38.9
93.07051	100.0
95.04967	7.2
95.08606	11.0
97.06520	2.0
97.10156	1.4
99.08142	1.5
103.02438	2.2
105.04491	2.4
105.07034	7.4
107.08596	19.4
109.06520	1.8
109.10145	3.2
117.07014	4.5
119.08597	11.7
121.10155	32.4
123.08096	1.3
123.11694	1.1
129.06978	2.6
131.08580	5.5
133.03459	2.8
133.10143	14.7
135.08040	3.0
135.11685	7.4
137.09612	1.6
143.08530	1.6
145.10095	2.3
147.11668	2.4
149.09610	1.8
151.04507	1.1
151.11183	2.9
157.10207	4.7
161.09561	1.2
161.13298	1.0
163.53618	1.1
171.11720	2.6
173.13286	2.4
175.14877	5.4
175.16130	0.9
188.12289	2.9
189.16379	2.9
199.14844	9.8
217.15918	8.6
249.16237	1.3
249.18536	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	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38947	5.4
69.42747	37.8
94.92984	9.4
98.20611	5.5
118.08646	10.0
143.01865	6.7
189.02890	5.1
249.03745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54422	0.5
55.01878	1.1
56.96561	0.8
57.03416	1.0
57.67690	0.5
58.99872	0.8
60.06898	0.6
63.12902	0.6
67.43555	0.6
68.98306	0.9
69.78870	2.2
70.99866	0.9
73.02909	0.7
75.78006	0.5
80.61515	0.7
82.99837	8.4
83.00291	0.9
84.08135	0.6
85.01414	1.4
86.99357	1.1
101.00888	79.2
103.02448	2.1
113.00887	5.8
115.02439	1.9
119.01929	100.0
121.03547	0.8
124.02512	0.6
127.02447	3.9
129.00371	2.0
131.01920	14.7
131.02859	1.1
133.03482	0.8
137.02956	11.3
137.64072	0.7
139.02422	0.8
141.00368	1.8
142.03516	1.9
143.01904	35.0
145.03474	14.6
147.01378	4.4
149.02948	1.5
155.01968	1.4
157.03490	5.6
159.01407	16.1
159.02763	0.9
161.02966	68.3
163.04544	1.1
165.02530	0.6
169.99750	0.6
170.49481	1.0
171.01416	12.3
173.02957	5.7
175.04533	1.0
177.02467	20.0
177.51295	0.7
179.03984	1.3
183.01347	1.0
184.04573	1.0
185.02916	2.8
189.02461	65.6
191.04077	3.6
192.99834	1.2
193.49641	1.0
201.02460	7.9
202.46986	0.7
203.04105	3.3
207.03522	17.3
208.04556	0.7
212.04071	0.9
214.50206	1.4
214.95110	0.7
216.00978	1.2
219.03557	7.3
223.00841	0.9
223.50635	0.8
224.00771	0.7
225.47397	1.1
226.00923	1.4
226.05620	4.0
231.03447	6.9
234.47980	0.8
235.46300	1.1
249.04588	48.0
267.05603	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03929	6.7
55.01867	3.4
55.05511	14.7
55.26812	1.6
56.96554	6.2
57.03421	1.9
57.07077	1.8
59.04993	5.1
60.06212	1.4
65.03934	2.4
67.05508	38.9
69.03423	2.9
69.07065	18.1
71.04978	2.1
71.53721	1.6
73.06538	3.4
79.05495	76.1
81.03416	5.9
81.07056	33.7
83.04969	6.6
83.08610	5.4
85.06532	6.5
91.05485	59.2
91.80831	1.6
93.07046	100.0
94.07294	1.6
95.04965	10.7
95.08612	35.4
97.06516	4.4
97.10143	3.7
98.97565	1.6
98.98478	2.0
99.08098	4.5
100.98828	1.9
105.03428	2.1
105.04489	2.5
105.07027	26.2
107.04942	5.9
107.08595	51.3
109.06503	4.4
109.10159	6.9
111.04388	2.1
115.05527	2.0
115.07576	3.0
117.07014	19.1
119.08582	29.2
121.06506	5.7
121.10146	92.9
123.08060	6.1
125.09687	1.5
128.06195	2.1
129.07005	5.1
131.08574	18.9
133.10117	30.6
133.27591	1.5
135.08084	9.1
135.11707	19.2
137.09619	4.3
139.11124	2.9
142.07759	1.5
143.08530	8.4
145.10162	4.8
147.08015	3.3
147.11674	7.1
149.09624	3.8
149.13193	2.4
151.11195	5.9
156.10887	1.7
157.10138	10.4
159.08109	1.7
159.11679	2.2
161.09631	4.8
161.13249	2.5
171.11690	5.7
173.13243	6.1
175.11220	2.8
175.14809	12.8
187.11128	1.7
189.12794	4.1
189.16362	13.7
193.12331	2.2
199.14813	23.5
203.05879	1.8
203.14395	1.9
213.12920	2.0
217.15892	21.3
231.13820	3.3
231.17511	3.3
249.14467	8.2
249.18512	74.3
249.22035	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	248.1647
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
56.96562	1.0
62.08504	0.2
67.05506	0.3
69.07057	0.3
71.54044	0.2
72.94572	0.2
81.03455	0.2
81.07035	0.3
84.08160	0.3
85.02876	0.2
91.05488	0.5
93.07059	0.4
98.97588	1.7
105.07021	0.7
107.08601	0.4
116.98601	0.5
118.06559	4.7
119.07313	0.4
119.08612	0.4
121.06519	0.3
126.55585	0.2
127.03931	0.3
132.08087	2.3
133.08894	0.5
134.09673	1.2
144.08083	0.3
146.09633	1.7
149.35849	0.2
155.66647	0.3
156.08083	0.3
158.99649	0.9
160.11230	0.7
174.12767	0.6
176.14362	10.8
177.00751	0.5
190.08647	10.9
202.15898	1.7
203.16701	0.9
204.10201	5.7
205.11018	1.5
206.11911	0.3
218.08673	0.3
218.11772	4.7
220.13231	0.3
231.17357	0.2
232.13469	0.3
236.09897	0.6
248.16475	100.0
249.16928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.0
62.08504	0.2
67.05506	0.3
69.07057	0.3
71.54044	0.2
72.94572	0.2
81.03455	0.2
81.07035	0.3
84.08160	0.3
85.02876	0.2
91.05488	0.5
93.07059	0.4
98.97588	1.7
105.07021	0.7
107.08601	0.4
116.98601	0.5
118.06559	4.7
119.07313	0.4
119.08612	0.4
121.06519	0.3
126.55585	0.2
127.03931	0.3
132.08087	2.3
133.08894	0.5
134.09673	1.2
144.08083	0.3
146.09633	1.7
149.35849	0.2
155.66647	0.3
156.08083	0.3
158.99649	0.9
160.11230	0.7
174.12767	0.6
176.14362	10.8
177.00751	0.5
190.08647	10.9
202.15898	1.7
203.16701	0.9
204.10201	5.7
205.11018	1.5
206.11911	0.3
218.08673	0.3
218.11772	4.7
220.13231	0.3
231.17357	0.2
232.13469	0.3
236.09897	0.6
248.16475	100.0
249.16928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03936	4.7
55.01864	6.6
55.05513	23.8
56.96554	6.5
57.03436	9.7
57.07082	14.7
58.64098	2.2
59.04992	2.4
65.03944	3.6
67.05521	20.9
69.03436	17.1
69.07069	17.9
69.38736	14.8
71.04984	7.0
73.06538	2.7
78.74892	1.7
79.05488	18.2
81.03421	6.0
81.07062	34.2
83.04986	22.4
83.08607	8.1
85.02898	18.1
85.06548	15.3
91.05482	28.7
93.07053	44.0
95.04984	20.7
95.08606	38.0
97.02890	4.8
97.06546	3.7
97.10158	1.8
98.97598	12.0
98.98466	8.1
101.06019	5.0
103.05448	2.9
105.07035	50.9
107.04962	5.1
107.08607	44.1
109.02904	2.3
109.06532	20.6
109.10145	20.9
111.04413	4.9
111.08130	4.5
115.05457	4.6
116.06248	2.1
116.98611	5.0
117.07021	17.9
119.08589	42.9
120.08060	2.5
121.06521	6.1
121.10149	32.3
123.08047	7.3
123.11703	4.5
125.09631	9.3
127.03921	3.8
128.06235	5.8
129.07019	9.8
130.07797	10.6
131.08578	32.7
133.06459	4.8
133.10135	30.6
135.08058	26.3
135.11717	10.5
137.05962	3.4
137.09595	3.8
139.11195	4.0
141.07027	2.5
142.07787	2.5
143.08560	11.6
144.09338	6.1
145.06520	4.9
145.10133	69.4
147.08066	21.7
147.11674	22.0
149.09625	18.5
149.13275	4.9
150.06844	2.1
151.11183	4.9
155.08551	5.2
156.09355	5.3
157.10112	12.8
158.07298	3.7
158.10818	3.2
158.99693	4.0
159.08055	8.7
159.11707	38.2
161.09637	8.8
161.13300	9.2
161.14441	2.1
163.11172	13.8
169.10092	10.0
170.10898	3.9
171.11740	16.9
173.09634	25.0
173.13249	14.4
174.10445	3.2
175.11139	3.7
175.14874	4.0
177.00826	2.5
181.10107	4.3
182.99695	2.2
183.11751	4.5
185.13271	9.4
186.10425	2.7
187.07526	2.3
187.11195	11.4
187.14777	11.5
188.11958	2.7
189.12683	10.9
189.16391	2.7
191.10686	21.9
191.14325	2.5
196.12523	9.1
199.11227	6.7
201.00694	4.9
201.04327	2.6
201.12767	7.0
201.16397	16.4
203.14282	4.2
203.17845	2.3
211.14841	19.9
214.13586	11.2
219.07857	2.3
224.03650	4.6
226.04860	2.4
229.12320	3.5
229.15901	56.0
229.19540	5.1
235.05405	2.6
239.05820	2.8
247.07610	3.3
247.09723	5.3
247.13120	4.4
247.16951	100.0
247.20633	18.5
247.24193	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	247.1331
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
51.02367	1.8
53.03945	5.8
55.01859	2.5
55.05519	7.6
56.96544	3.0
57.03416	2.7
57.07063	4.7
65.03926	5.1
67.05502	13.1
69.03085	2.0
69.03433	23.9
69.07076	5.9
70.07059	5.3
71.04996	3.2
79.05493	9.8
81.03411	2.3
81.07058	21.3
83.04988	21.1
83.08604	2.2
85.02890	4.4
85.06543	12.6
91.04919	1.7
91.05482	22.9
91.16423	1.2
93.03392	4.1
93.07047	24.0
95.04977	8.8
95.08605	15.6
97.02901	7.1
97.06520	3.9
98.97593	5.5
98.98442	3.9
99.04485	1.1
101.06002	1.4
101.86873	1.1
103.05436	1.6
105.07031	26.8
107.04940	3.8
107.08598	25.7
109.02151	1.2
109.02888	22.0
109.06525	16.0
109.10152	10.0
111.04426	7.0
111.08060	3.1
113.05987	1.2
115.05431	2.7
116.06243	1.5
117.07044	10.4
119.04968	1.5
119.06075	1.1
119.07810	2.2
119.08587	28.6
121.02889	5.9
121.06515	21.7
121.10146	13.7
122.07296	1.5
123.04424	1.6
123.08046	3.3
123.11685	2.5
125.02317	1.4
125.09631	2.7
127.03903	1.9
128.06201	3.9
129.06984	7.0
131.04887	1.7
131.08568	26.0
133.06447	2.4
133.10129	18.5
135.04422	1.7
135.07126	2.3
135.08064	28.4
135.11694	5.7
137.05956	7.7
137.09628	6.1
139.03940	1.7
141.06987	1.7
142.07715	2.9
143.08597	12.1
144.09355	10.3
145.06477	9.8
145.10139	21.6
146.07329	1.5
147.08018	5.2
147.11713	12.4
149.06006	1.8
149.09622	26.7
149.13252	3.5
149.51953	1.3
150.10350	2.8
151.11172	4.6
153.06938	2.1
153.09096	1.4
155.08548	5.3
157.10156	5.7
158.07236	3.1
158.10915	17.1
158.99706	2.1
159.08090	11.9
159.09308	1.6
159.11699	38.5
160.08846	3.9
161.09599	5.3
161.13263	4.4
163.07555	22.5
163.11160	4.3
165.09166	1.8
165.12747	1.4
168.09340	4.3
169.10092	2.8
170.10934	5.8
171.08081	7.2
171.11633	2.7
172.08849	14.4
173.09630	27.3
173.11774	2.5
173.13266	50.1
175.07545	1.7
177.00670	1.3
177.09183	2.1
178.07817	1.7
181.06509	1.8
183.11719	9.3
185.13255	3.7
186.10406	22.5
187.07712	2.6
187.11188	100.0
187.14804	4.4
189.09082	3.0
189.12711	1.7
191.07030	28.3
191.08566	1.1
191.10648	1.3
191.14305	2.1
196.08878	4.0
201.12753	69.0
201.16449	2.5
203.14265	1.8
203.17813	2.0
205.12263	9.9
211.11194	9.3
212.13603	2.0
214.09845	2.4
219.13776	5.5
229.12248	66.0
229.15907	4.0
229.19516	5.4
247.13298	71.9
247.16924	12.0
247.20557	17.1
247.24449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1079
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
52.69810	0.7
53.03956	0.9
56.96561	1.0
64.19298	0.7
67.05495	2.7
69.03439	1.1
69.25427	6.6
79.05479	0.8
81.07050	1.5
83.04971	0.9
85.02894	0.8
88.03982	2.1
91.05470	1.9
93.07050	1.3
95.04986	0.8
97.02882	1.2
98.97601	3.5
105.07013	2.2
107.08563	1.2
109.10149	2.7
115.05482	4.1
116.98626	0.9
117.05721	2.0
117.07040	1.4
118.06555	14.7
119.08575	1.7
121.10144	1.1
127.74693	0.7
130.06534	40.8
131.08546	1.8
132.08098	31.1
133.06496	1.0
135.08099	1.0
142.06523	8.8
143.07346	1.9
144.04494	0.8
144.08093	10.4
146.06015	51.3
157.10089	1.1
158.08412	2.0
158.99658	1.5
159.09184	100.0
160.07617	4.9
169.07642	2.9
170.06021	21.7
173.13438	0.7
175.03979	1.0
177.00725	0.7
183.09239	2.1
184.07588	3.1
187.08681	11.5
187.11121	0.9
188.07074	85.2
201.10245	63.5
205.05136	0.8
205.09732	22.4
210.22047	0.7
211.08658	1.5
215.10208	0.9
229.09750	7.4
229.12061	1.5
230.08167	1.0
247.11096	3.8
247.13121	1.4
247.16957	2.3
248.65125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37856	0.7
58.76063	0.7
69.07098	1.1
70.69942	1.0
70.70272	1.6
71.53862	0.7
72.08139	2.2
86.09695	1.1
101.00869	3.1
103.00596	0.8
113.00813	0.8
113.90531	0.8
115.02484	1.0
119.01939	2.3
121.01666	0.9
133.03456	1.7
135.03189	1.2
142.60049	0.7
145.87613	0.7
159.05011	1.5
167.03117	1.1
168.99831	1.7
169.01180	0.8
187.00847	1.1
187.02536	0.7
207.10724	0.7
215.00310	1.8
229.03232	25.2
247.04286	100.0
258.63358	0.8
264.88385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1703
Annotation	2-Methylbutyroylcarnitine
Peak:m/z	Relative Intensity
56.03311	0.2
56.96617	0.2
57.03438	1.4
57.07076	2.7
58.09857	0.3
60.08168	8.0
70.00819	0.9
70.01167	0.3
78.45640	0.2
81.66441	0.2
84.08129	0.4
85.02909	100.0
85.06543	2.9
86.09706	0.3
98.20789	0.3
102.31798	0.2
103.07587	0.4
108.94601	0.2
110.22363	0.2
144.10222	1.7
164.28612	0.2
187.09665	10.3
200.65689	0.2
246.17020	40.3
247.17273	0.3
249.09979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18017	0.4
55.05515	0.6
56.05022	0.4
56.96555	1.2
58.06590	1.5
60.04507	1.0
67.05491	0.6
68.05030	5.6
69.03430	1.0
69.07066	6.1
70.06575	0.6
70.44184	0.6
74.06077	1.0
79.05495	2.0
81.07052	0.8
84.04499	1.3
84.08123	1.4
85.02914	0.6
85.50728	0.4
86.02442	4.1
86.06078	13.3
86.09700	0.9
97.06538	2.0
98.97553	0.6
102.05541	0.8
104.07111	48.0
121.02816	0.6
125.05993	4.0
129.10217	0.8
130.05014	23.9
143.07045	0.9
148.11221	0.6
156.13864	0.4
158.03664	0.4
173.92586	0.4
182.11763	1.8
184.13341	1.6
186.11263	3.2
190.10313	0.4
196.21695	0.4
200.12833	48.3
202.14413	0.5
210.11290	1.1
222.38934	0.4
228.12325	100.0
246.13383	27.6
246.24249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68509	0.2
55.05515	0.9
56.96564	0.7
57.03443	0.2
67.05487	0.2
68.05027	0.6
69.03452	0.2
69.07082	0.5
69.17690	2.2
70.06579	0.2
70.82450	0.2
71.08603	0.2
72.08161	0.2
79.05071	0.3
79.05496	3.6
80.05019	0.8
80.34064	0.2
81.05802	4.1
81.07059	2.6
82.06575	0.6
84.04492	0.3
84.08138	0.3
85.02917	0.5
86.09710	0.6
94.06565	0.8
95.08595	0.3
95.10743	0.2
96.04498	0.3
96.08135	15.9
97.02867	0.4
97.06567	0.2
98.21549	0.4
98.97587	1.3
104.10750	0.2
106.06551	2.8
107.04970	0.4
109.05270	0.2
110.06049	6.2
116.98637	0.5
121.06400	0.2
124.07597	100.0
125.08396	5.3
138.52966	0.4
156.04753	0.3
158.99741	0.3
184.07410	0.2
185.04027	0.2
225.58156	0.3
228.06764	0.2
229.07509	0.5
240.09840	0.3
246.07927	2.2
246.11380	0.4
246.24399	0.3
247.08527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68509	0.2
55.05515	0.9
56.96564	0.7
57.03443	0.2
67.05487	0.2
68.05027	0.6
69.03452	0.2
69.07082	0.5
69.17690	2.2
70.06579	0.2
70.82450	0.2
71.08603	0.2
72.08161	0.2
79.05071	0.3
79.05496	3.6
80.05019	0.8
80.34064	0.2
81.05802	4.1
81.07059	2.6
82.06575	0.6
84.04492	0.3
84.08138	0.3
85.02917	0.5
86.09710	0.6
94.06565	0.8
95.08595	0.3
95.10743	0.2
96.04498	0.3
96.08135	15.9
97.02867	0.4
97.06567	0.2
98.21549	0.4
98.97587	1.3
104.10750	0.2
106.06551	2.8
107.04970	0.4
109.05270	0.2
110.06049	6.2
116.98637	0.5
121.06400	0.2
124.07597	100.0
125.08396	5.3
138.52966	0.4
156.04753	0.3
158.99741	0.3
184.07410	0.2
185.04027	0.2
225.58156	0.3
228.06764	0.2
229.07509	0.5
240.09840	0.3
246.07927	2.2
246.11380	0.4
246.24399	0.3
247.08527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1863
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05503	0.3
56.96563	1.2
59.69785	0.2
65.85081	0.2
67.05488	0.4
69.03436	0.4
69.07085	0.4
69.69609	1.3
70.06591	0.3
70.66589	0.2
72.08149	0.4
72.93796	0.3
76.54329	0.2
84.08147	0.5
86.09711	100.0
91.05497	0.5
93.07072	0.5
97.02927	0.3
97.06554	0.2
98.21537	0.3
98.97597	1.8
105.06991	0.3
112.99222	0.4
116.98655	0.5
117.03391	0.5
124.99146	0.3
129.10315	0.3
131.08632	0.3
132.10207	3.7
142.03210	0.7
143.00198	0.3
145.02885	1.5
145.10107	0.4
161.01208	0.5
169.01813	0.3
170.99522	0.3
177.00749	0.3
177.05510	3.1
180.22531	0.3
199.18144	1.1
201.51959	0.2
203.32568	0.3
213.00711	0.3
231.01813	0.7
235.59512	0.3
236.09920	0.3
245.18637	6.2
249.02910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.51646	0.2
55.05505	0.5
56.05007	0.3
56.96564	7.3
57.05811	0.3
58.06626	0.2
60.08158	0.2
67.05508	0.5
69.03435	0.3
69.07071	11.2
70.06595	0.3
70.09897	0.3
70.10303	0.5
70.98112	0.6
71.95267	0.5
72.08143	0.3
72.93797	0.2
73.02916	0.2
74.97610	0.3
79.05511	0.4
81.07069	0.3
83.04990	0.5
84.08146	1.1
85.02911	2.1
85.06541	0.6
86.09708	100.0
86.69037	0.2
87.10052	0.2
91.05502	0.4
91.15866	0.2
93.07036	0.2
93.25549	0.2
95.08601	0.4
97.06531	2.2
98.20834	0.3
98.97588	17.1
101.06052	0.2
105.07034	0.3
107.08583	0.2
108.57552	0.2
108.90156	0.2
110.45642	0.2
112.99171	0.3
113.03487	0.3
115.03931	0.2
116.98624	9.7
124.99107	0.4
127.00664	0.4
129.10271	0.3
132.10219	2.0
134.99660	4.8
139.09909	0.2
140.00211	0.4
141.02231	5.7
142.03262	0.4
145.01794	0.2
145.02852	0.5
153.00766	0.6
153.02267	2.4
157.07718	0.3
158.01193	0.2
158.99655	0.4
159.03299	3.9
159.04509	0.3
161.04860	0.3
171.03299	13.8
177.04230	0.3
177.05556	1.2
187.09743	0.3
189.04353	11.5
194.04910	0.4
199.18161	0.9
203.06046	0.4
207.05392	0.5
208.93898	0.2
212.05983	0.5
213.04330	3.1
221.07042	0.2
222.79625	0.2
231.01907	0.3
231.05423	2.6
245.06970	3.6
245.18619	5.5
245.20976	0.3
246.17050	0.6
249.02827	0.3
263.08063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05518	1.3
56.05042	0.5
56.96566	17.3
57.03433	0.5
58.06630	0.4
67.05515	2.1
69.03433	0.9
69.07075	10.9
70.06590	1.0
71.04996	0.7
71.95290	0.8
72.08149	1.1
72.93794	0.6
73.02892	0.6
74.97598	0.8
79.05500	1.3
80.05037	0.4
81.03406	0.7
81.07052	1.8
83.04991	1.7
83.08620	0.5
84.08146	3.9
84.96030	0.6
85.02910	1.4
85.06538	1.2
86.09709	100.0
87.04441	1.0
87.45414	0.4
89.03932	0.9
90.94839	1.1
91.05478	1.1
93.07056	1.6
95.04967	0.8
95.08628	2.1
97.02938	0.9
97.06533	4.3
98.97587	38.3
101.00876	0.4
105.05457	0.4
105.07029	1.4
107.04952	0.5
107.08569	0.7
109.10175	0.5
110.97678	0.5
112.99155	1.2
113.96441	0.4
115.00672	0.5
115.03945	0.9
116.98625	23.3
117.03363	2.6
119.08584	1.0
121.10131	1.1
123.08092	1.2
124.07586	0.5
124.99114	1.0
125.09622	0.6
127.00695	1.0
128.10759	0.5
129.05447	0.6
129.09338	0.4
129.10262	1.5
130.08658	0.7
131.00153	1.0
131.08638	0.8
132.10185	2.3
133.10136	0.4
134.99661	13.8
140.00194	1.1
141.02243	9.2
142.03247	1.4
143.00197	2.2
144.04568	0.4
145.01735	0.9
145.02824	5.8
147.11311	0.7
149.01250	1.1
149.06006	1.0
149.96129	0.9
153.00732	1.4
153.02246	3.5
155.07146	0.5
158.01309	0.8
158.99693	2.2
159.03290	8.6
159.08124	0.5
161.01230	1.1
161.02931	0.5
167.97244	0.7
169.01784	0.9
170.99686	0.7
171.03302	24.3
173.04742	0.6
173.09416	0.5
177.00734	1.7
177.04289	0.7
177.05508	10.9
184.09993	0.5
185.01276	1.3
189.00703	1.1
189.04349	22.6
190.98721	0.5
193.06339	0.7
194.04903	0.8
195.03287	0.5
199.07706	0.5
199.18082	0.7
201.12355	0.7
202.06633	0.5
203.02281	0.4
204.03595	1.2
207.05409	1.0
212.06012	1.0
213.00845	0.6
213.04292	8.1
215.09346	0.9
222.04646	1.1
227.11649	0.7
231.01811	1.6
231.05382	5.6
236.09904	1.8
245.06952	7.7
245.09523	0.7
245.13603	17.5
245.18610	6.8
245.22548	0.5
249.02831	2.8
251.73952	0.4
254.07137	0.7
263.08087	1.3
267.03839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
53.03949	1.0
55.01873	1.5
55.05501	2.6
55.99461	0.7
56.05032	1.7
56.96570	15.9
57.03427	2.2
58.99862	3.0
60.69448	0.8
61.02919	2.1
61.08482	1.1
67.04231	2.1
68.98298	1.6
69.03432	4.3
69.07059	1.1
69.70140	4.1
70.02940	1.6
70.06594	11.3
70.98119	3.5
70.99854	2.8
71.04980	1.9
71.95261	3.8
72.08153	6.3
72.96036	1.2
73.02898	2.6
74.02447	2.4
74.06097	1.1
74.97591	0.8
77.00904	1.7
81.03413	2.9
82.06586	15.4
82.99832	6.1
83.04968	1.6
84.04521	5.3
84.08150	24.2
84.96036	1.5
85.01413	2.2
85.02907	5.7
85.06564	1.0
85.08482	1.3
86.06082	1.2
86.09717	10.1
86.99310	1.7
87.04455	1.5
87.06092	0.8
88.03971	1.0
89.00883	1.3
90.94817	0.9
94.99830	1.0
96.00891	1.0
97.01395	1.4
97.02897	7.9
97.06548	1.6
98.06837	1.1
98.21497	1.2
98.97588	15.7
99.04435	2.1
100.07619	2.7
101.00884	53.5
102.01009	1.3
102.05573	1.3
102.09182	0.9
103.02450	4.0
104.10760	5.6
105.00362	2.0
109.02893	1.9
110.06040	0.8
110.97543	1.2
112.05103	12.1
112.07626	0.8
112.99131	1.9
113.00878	9.3
113.03497	20.8
113.04781	2.5
113.05455	7.4
115.02438	11.8
115.04015	0.9
115.08762	1.1
116.07078	3.2
116.98625	9.0
117.03971	0.8
119.01928	75.1
119.24839	0.8
120.01988	1.2
121.01646	1.9
124.95495	2.4
125.00836	1.2
126.03807	0.9
127.02402	5.7
127.03909	3.2
128.98645	1.4
129.00343	1.3
129.03983	3.6
129.10283	5.0
130.05013	2.2
130.08646	4.8
131.00235	1.4
131.01910	20.4
133.01848	1.1
133.03482	24.9
133.04951	1.0
134.99669	2.9
135.03223	1.1
136.06200	25.1
137.00867	1.6
137.02971	10.1
137.04582	1.0
137.06390	0.7
139.02466	4.1
141.03917	1.8
141.04868	1.5
142.03522	1.3
142.05162	2.3
142.96570	4.3
143.00201	1.5
143.01904	34.2
144.02753	1.4
145.01704	1.6
145.03467	29.0
146.99654	1.3
147.01393	2.5
147.05009	2.7
147.11305	1.6
148.06583	1.3
148.56622	1.3
149.01274	1.0
149.02968	1.9
149.06480	1.5
149.96132	0.9
151.04532	2.5
153.03951	0.9
155.01901	18.4
156.05400	1.9
156.97394	1.7
157.03476	27.5
158.99710	1.1
159.01395	1.4
159.05052	7.7
160.97614	1.5
161.02972	77.9
163.02591	1.4
163.04550	5.7
164.03215	1.0
167.01894	7.6
169.03427	7.7
170.96034	5.1
171.01469	0.9
171.03647	0.8
171.04947	4.6
173.01407	1.4
173.02968	27.1
173.10005	1.3
174.99167	2.2
175.02977	1.5
175.04550	18.8
175.11885	0.8
177.00960	0.9
177.02461	2.5
177.04617	1.2
177.06009	6.7
178.04880	1.3
179.01920	4.9
179.04019	2.2
181.03482	1.8
183.05020	1.4
184.04536	2.1
184.97571	1.9
185.02969	56.4
187.04529	16.8
188.97086	11.6
189.00653	0.9
189.06111	2.6
190.98721	1.3
191.04024	6.2
193.00198	1.9
195.07169	3.5
197.02963	16.4
197.06686	2.1
198.98538	1.1
199.00864	0.8
199.04538	8.0
201.06067	2.6
201.12383	1.3
201.16011	1.1
202.98764	3.7
203.02237	2.9
203.04012	32.3
205.05672	1.6
206.05757	0.8
206.98170	5.9
207.01871	0.9
207.05403	0.8
209.00533	1.1
209.02946	1.8
211.98769	0.9
213.00523	0.9
213.02557	1.4
215.03999	9.9
215.07625	0.8
217.05589	8.1
220.99892	3.7
221.03365	1.0
221.05095	9.8
222.05672	1.0
227.01813	1.4
227.03998	13.0
230.98151	1.6
231.03482	0.9
233.05104	4.0
234.98552	1.4
244.55490	5.7
245.05090	100.0
245.08778	12.6
245.11952	3.8
245.15657	2.3
245.18556	4.2
248.99487	0.9
252.99640	1.5
257.02606	1.0
263.02939	3.6
263.06143	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	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98302	0.5
69.03423	0.9
69.40539	2.8
71.75926	0.3
81.03433	0.6
82.99833	2.1
86.99326	1.0
97.01388	0.6
97.02894	1.9
99.04453	0.9
101.00887	20.4
101.39230	0.4
102.00973	1.2
102.96871	0.8
103.00649	3.2
103.01251	0.6
103.02417	0.4
105.00380	0.4
113.00890	2.6
115.02408	1.6
119.01929	27.2
120.01994	2.1
120.97890	0.4
121.01676	5.2
127.02425	1.3
127.03918	1.5
129.00320	0.4
131.01912	6.5
131.05565	0.5
133.03513	2.4
137.02036	0.5
137.02974	3.2
139.02448	1.5
142.03543	0.7
142.98619	1.3
143.01904	16.2
143.03630	0.9
143.78357	0.4
145.03490	4.3
147.01326	0.7
149.03006	0.5
149.06628	0.4
149.96085	0.4
155.01901	3.2
157.03481	9.4
158.99933	0.4
159.01488	0.6
159.99863	0.4
160.99652	4.1
161.02965	36.8
161.62651	0.4
162.03078	1.4
163.04443	0.5
167.01886	2.5
169.03476	1.6
171.05013	0.9
173.02957	8.0
175.04538	6.5
177.00993	0.9
177.02580	0.4
177.09769	0.4
177.14943	0.4
178.01068	0.9
179.00711	19.3
179.04018	1.7
180.04184	1.1
184.99602	1.0
185.02965	16.0
185.04396	0.4
187.04520	4.5
191.04019	3.0
197.02994	2.3
199.02870	0.4
199.04495	2.2
202.02245	0.4
203.00856	3.5
203.04010	14.3
209.02962	0.7
215.04015	4.0
217.05708	1.8
219.02000	0.8
219.03850	2.5
220.02162	0.9
221.01781	22.0
221.05202	1.5
222.01868	1.2
222.06032	0.5
227.00620	2.3
227.03984	5.1
233.05031	2.4
245.01865	11.0
245.05074	32.3
245.12259	2.8
258.87183	0.4
261.03064	0.4
263.02887	100.0
264.02963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03677	0.7
52.78184	0.8
55.01865	2.4
55.05508	1.6
56.96568	19.3
57.03442	4.5
59.04993	0.7
61.02921	2.9
69.03432	3.3
70.02954	6.8
70.06586	3.6
70.97179	1.0
70.97502	0.9
70.98123	3.8
70.99834	0.8
71.01350	0.9
71.04984	1.0
71.95256	3.8
72.08154	2.3
72.96056	1.7
73.02910	2.5
73.92846	0.7
74.02438	0.9
81.03416	0.9
82.06574	8.3
82.99864	2.6
83.04971	0.7
84.04506	2.8
84.08149	7.2
84.96042	1.4
85.02921	2.8
85.08466	0.8
86.09717	3.0
87.04468	1.4
88.28126	0.7
88.99141	1.0
96.00852	3.7
97.02917	3.5
98.97590	21.8
99.04472	1.2
100.07622	1.5
101.00884	16.2
104.10757	1.4
112.05093	10.9
113.00878	3.2
113.03494	100.0
113.05412	8.3
115.02435	6.8
115.03924	2.3
116.07077	2.4
116.90757	0.8
116.98634	8.3
117.02097	0.7
117.03999	0.9
119.01075	0.9
119.01926	19.3
121.04908	0.6
124.95477	5.4
126.02561	1.7
127.02446	1.3
127.03950	1.4
128.98633	1.7
129.03993	1.5
129.10231	2.4
130.05011	0.7
130.08611	0.8
130.64032	0.9
131.01886	3.9
132.16835	0.7
133.03477	10.9
133.04984	3.5
134.99678	2.1
137.02968	1.8
139.02394	1.4
141.04831	1.2
142.05122	2.8
142.96550	3.5
143.01915	11.6
145.03477	6.8
146.99666	0.9
147.05035	1.0
148.06566	1.3
151.04578	1.1
152.05740	1.0
152.94962	1.7
154.08611	0.9
155.01894	4.1
157.03474	6.3
159.05045	3.2
160.97670	1.3
161.02968	22.0
163.54375	1.0
167.01906	2.8
168.99263	1.5
169.03508	2.4
170.96027	9.0
171.05040	1.3
173.02966	8.0
174.99171	2.4
175.04521	3.9
177.06076	3.4
184.97559	2.6
185.02960	11.8
187.00372	1.7
187.04558	3.8
188.97079	15.2
189.00787	1.5
191.04025	1.4
193.00188	1.1
195.07169	3.7
197.02946	3.6
199.04521	1.3
201.12320	0.8
202.98618	5.9
203.04039	8.1
203.05763	1.3
206.98093	4.2
215.04001	3.6
215.07629	1.1
217.05559	2.4
220.99716	3.2
221.05148	2.4
227.03998	2.5
227.10233	1.1
230.98116	2.7
233.04900	1.2
245.05074	31.0
245.08868	4.6
245.11288	1.5
248.99217	1.0
260.79318	0.8
263.03009	1.2
263.06076	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	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65180	8.9
59.11204	9.4
62.24939	8.8
69.68529	8.3
70.69414	29.4
84.08154	10.2
94.93016	59.9
98.10237	10.9
101.00896	73.3
101.03494	12.2
104.10751	100.0
105.11051	10.0
110.54021	11.9
113.00865	13.2
113.03483	20.4
113.05420	20.3
115.02439	33.7
118.08605	23.7
119.01917	73.5
127.02385	20.8
129.10039	9.0
133.03484	38.1
139.06168	9.9
143.01918	27.2
145.03476	33.9
148.06514	49.2
148.56677	35.8
149.06479	29.9
155.01917	29.3
157.03487	19.0
159.05072	16.3
161.02956	32.2
167.01952	21.4
173.02963	23.6
177.06071	11.4
185.02994	71.0
187.04501	19.2
197.02988	30.9
203.03967	18.2
244.90196	19.4
245.00537	19.6
245.05006	54.8
245.08737	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31967	1.4
82.99720	0.6
83.99826	0.2
98.97491	0.2
101.00735	6.4
101.01472	0.5
102.00827	2.2
119.01772	10.9
119.02699	0.7
120.02009	3.6
121.01560	0.3
124.02343	0.3
133.03311	0.2
135.99828	0.5
137.02959	1.5
138.02927	0.5
141.98949	1.0
142.03494	1.6
142.98462	0.3
143.01756	0.7
145.03348	0.2
147.96751	0.3
157.03372	0.4
157.89677	0.2
158.99788	0.7
159.99986	3.9
160.04405	0.3
160.99565	0.2
161.02959	3.9
166.99516	0.2
173.02873	0.4
175.98198	0.3
176.02979	0.3
177.00951	2.4
178.01047	15.5
179.00751	1.2
179.02133	0.2
179.04019	3.6
183.99969	1.1
184.04483	0.5
185.02847	0.6
196.01854	0.2
200.02921	0.2
201.00920	0.3
202.01010	2.5
202.05406	0.3
203.00798	0.2
203.03940	0.7
218.04193	3.3
219.00076	0.2
219.02003	1.8
220.02118	21.0
221.01740	4.4
221.05057	0.4
226.00980	2.2
235.00819	0.4
238.98373	0.6
243.03642	0.4
244.02118	13.0
245.01880	0.5
245.04980	0.8
262.03195	100.0
263.02866	5.9
264.03513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1546
Annotation	2-ethylacrylylcarnitine
Peak:m/z	Relative Intensity
50.05843	0.2
50.24486	0.3
55.05507	1.2
56.96572	0.7
57.03436	1.1
59.05008	0.6
60.08168	4.2
67.65302	0.3
71.25356	0.6
79.29405	0.3
83.04984	23.1
84.08136	0.9
85.02908	100.0
86.03213	0.3
86.09694	0.6
88.08869	0.3
98.97582	1.2
101.06030	6.1
110.97579	0.7
116.98645	0.4
128.98627	0.3
144.10210	1.4
163.03902	1.0
185.08102	27.4
186.65811	0.3
191.02991	0.5
200.03363	0.4
205.05042	0.6
209.03853	0.9
211.54167	0.7
220.54628	0.4
237.00775	0.4
244.15456	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	243.1594
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03937	2.9
55.01861	4.0
55.05269	1.7
55.05514	19.7
56.96558	2.8
57.03447	6.7
64.73975	1.3
67.05509	19.9
69.03422	4.2
69.07065	8.3
71.04975	3.7
73.02870	1.3
74.00582	1.3
78.03346	1.2
79.05494	16.9
81.03423	70.1
81.07061	26.9
83.04987	26.0
83.08153	2.0
83.08621	28.9
85.02900	8.0
85.06527	2.7
91.05486	25.3
93.07045	12.2
95.04974	24.7
95.08631	6.4
97.02880	2.1
97.06535	2.9
97.10163	4.8
98.97555	1.3
101.11583	1.4
103.05537	1.4
105.07028	17.8
107.04948	4.6
107.08584	6.9
109.06528	6.2
109.10146	2.8
111.04440	2.4
111.08086	13.1
115.05462	1.7
119.08588	16.3
121.06493	2.2
121.10125	5.6
123.08080	3.0
123.11678	1.7
125.09646	1.9
129.06990	8.5
131.08553	11.1
133.06500	2.2
133.10126	9.6
137.09700	1.3
142.07800	2.8
142.15938	2.7
143.16231	3.8
145.10153	1.9
147.08058	3.0
147.11678	14.5
149.09648	5.9
157.10124	13.5
165.12740	4.2
175.11198	19.8
193.12251	100.0
211.13304	90.5
225.14828	14.3
242.28548	1.8
243.17470	4.1
243.21095	1.9
243.28795	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	243.1593
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
51.30467	1.1
52.38353	1.3
53.03941	3.1
55.01860	2.9
55.05507	20.3
56.96557	2.7
57.03435	4.4
59.04989	1.3
67.05505	18.5
69.03441	6.5
69.07068	9.1
69.52338	1.4
70.11194	2.5
71.04995	4.5
79.05498	17.6
81.03421	71.5
81.07055	24.9
83.04984	24.6
83.08621	27.0
85.02911	9.5
85.06542	1.7
91.05480	24.5
93.07058	12.4
95.04976	27.3
95.08611	10.0
97.02878	2.8
97.06524	2.4
97.10157	5.7
98.97550	1.3
102.01990	1.3
105.06405	1.5
105.07043	17.8
107.04939	4.5
107.08603	7.2
109.06518	4.2
109.10155	2.2
111.04441	2.6
111.08057	13.4
113.06020	2.1
118.16697	1.4
119.08584	14.2
121.06567	1.8
121.10178	6.0
123.08047	2.7
123.11696	1.9
125.09573	1.3
129.07008	9.4
131.08580	9.8
133.06502	3.2
133.10124	8.7
137.09631	1.6
145.10112	3.2
147.08046	2.0
147.11697	15.5
149.09648	6.4
157.10124	15.8
158.99594	1.3
163.17917	1.2
165.12749	3.8
175.11212	19.3
179.56645	1.2
186.27013	1.2
190.59091	2.4
193.12250	100.0
199.59589	2.3
202.09782	2.1
211.13300	94.5
225.14839	15.6
243.13631	1.4
243.17534	2.2
243.21263	1.4
243.28656	1.9
264.85339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1595
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.96070	1.5
53.03945	4.0
55.01856	4.3
55.05273	2.4
55.05518	34.4
56.96569	8.7
57.03429	5.5
57.06826	2.5
57.07081	28.7
59.05002	2.1
61.02922	2.3
62.55044	1.7
65.03938	1.8
67.05179	2.4
67.05512	36.7
69.03437	7.7
69.07068	14.8
70.47609	2.6
70.47932	3.1
71.05002	37.4
73.02923	1.5
79.05498	29.1
81.03427	58.7
81.07063	48.7
83.04996	17.5
83.08629	26.0
84.96011	1.6
85.02903	5.9
85.06533	4.3
91.04898	2.3
91.05489	43.5
93.07045	20.8
94.91898	1.3
95.04978	27.9
95.08609	15.7
95.50227	1.4
97.02901	10.5
97.06547	10.1
97.10191	11.7
98.97595	24.9
99.08100	2.6
105.07034	29.5
107.04939	3.0
107.08584	12.1
109.06538	7.8
109.07192	1.4
109.10173	5.0
111.04440	4.4
111.08073	11.5
112.99162	5.7
115.05459	3.2
116.98607	8.1
117.07075	2.8
119.08591	36.4
121.10148	14.7
123.08090	3.7
123.11707	4.6
125.09643	4.1
129.06171	1.4
129.07016	9.8
131.00174	5.8
131.08568	13.5
133.06496	3.7
133.10156	13.1
134.99637	2.4
135.11748	1.6
137.09573	1.6
137.13223	1.6
142.07761	3.4
143.00175	3.2
143.08530	2.1
145.10133	5.4
147.08017	3.8
147.11703	55.4
149.01273	2.4
149.09641	4.9
149.13226	3.1
151.11238	1.9
157.10150	14.6
158.84616	1.7
158.99658	9.8
159.08080	1.7
159.11708	3.2
162.01785	1.6
165.12785	23.0
170.08643	1.6
170.58815	3.2
171.08473	1.8
173.01241	8.5
173.13277	4.4
175.11188	19.9
175.95007	1.9
177.00746	5.4
177.07793	1.5
184.97522	1.7
187.14845	2.6
191.02287	5.3
193.12260	100.0
201.00749	1.8
201.16350	1.8
202.06799	9.2
202.98674	2.3
205.59099	2.1
207.13759	2.2
211.07314	22.8
211.13312	89.0
219.01682	2.7
220.07852	3.7
222.58023	4.7
225.14847	26.2
225.16867	2.3
242.60893	5.3
243.06512	2.9
243.10646	5.2
243.13725	3.4
243.17726	7.8
243.21088	5.7
244.99753	7.5
258.94507	1.6
263.00613	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	243.1593
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
52.11129	1.3
53.03938	5.3
54.88914	1.2
55.01864	5.3
55.05511	27.0
57.03431	4.7
57.07070	2.7
59.05004	18.0
59.40652	1.3
61.02921	3.2
61.80684	1.4
65.03938	2.1
67.05508	51.8
69.03420	4.8
69.07072	16.3
69.72899	1.3
71.01352	2.4
71.05006	42.9
79.05497	51.7
81.03422	28.7
81.07058	54.1
83.04987	15.3
83.08624	13.6
85.02893	3.2
85.06551	9.2
87.04479	8.4
91.05486	62.4
93.06491	2.5
93.07047	36.1
95.04984	16.7
95.08611	22.0
97.02900	2.0
97.06525	16.4
97.10155	1.6
99.04416	2.4
99.08075	3.0
101.06013	1.9
105.07037	37.3
107.04979	4.2
107.08594	38.0
108.78905	1.6
109.06516	12.5
109.10152	4.4
111.04447	3.0
111.08089	9.1
113.06014	5.5
115.05447	1.7
117.06996	3.1
119.08582	23.5
121.10146	30.7
123.08075	7.5
125.05993	2.9
127.07616	2.4
129.07013	13.9
131.08571	27.8
133.06525	2.4
133.10147	38.4
137.09619	4.0
137.13246	1.6
139.11195	1.8
142.07797	4.1
147.08061	4.6
147.11696	45.4
147.56441	1.4
149.09630	47.3
151.11150	2.0
157.10107	25.3
165.12781	6.4
167.10710	10.0
175.11200	30.7
179.14285	3.3
181.12273	1.7
187.96954	1.7
193.12256	45.1
197.15384	21.7
199.13295	8.8
211.13312	36.4
225.14856	100.0
243.08832	1.7
243.15817	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33356	0.1
56.96553	0.2
62.20685	0.1
69.97248	0.2
69.97643	0.2
77.40010	0.1
82.99822	0.8
86.52853	0.1
98.21414	0.1
98.97569	1.5
101.00890	6.5
111.00381	0.1
116.98646	0.8
119.01926	9.1
122.97813	0.2
134.99893	0.5
137.02962	1.0
140.98833	1.5
142.03513	0.2
157.01929	0.1
158.99896	4.4
165.99660	0.2
175.03027	0.4
177.00960	17.3
178.01067	0.5
182.99858	1.0
195.02066	0.2
197.02907	0.2
199.03032	0.2
200.02556	0.2
201.00931	3.8
201.02316	0.3
215.01793	0.1
217.04109	2.9
219.02013	23.5
220.02136	1.5
221.02135	0.1
225.00844	2.0
234.00717	0.3
242.03569	0.2
243.01990	11.4
244.01906	0.1
261.03064	100.0
262.03189	1.5
263.03537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.4
55.05522	14.7
55.05747	3.5
56.96559	11.0
57.03437	5.2
57.07071	9.5
59.04994	2.7
60.51707	2.2
66.01280	2.0
67.05512	33.9
67.18102	2.7
69.07090	15.1
69.46494	7.9
69.46924	9.4
71.04985	6.7
71.08642	3.3
79.05506	24.6
79.05938	4.0
81.03410	8.6
81.07060	100.0
83.04968	10.5
83.08640	11.5
85.02901	3.2
85.06558	6.5
88.07616	3.8
91.05489	31.0
93.07053	20.2
95.04961	7.3
95.08617	21.6
97.02303	5.1
97.06525	10.8
98.20737	2.7
98.97587	6.5
99.08099	4.8
100.97938	2.7
105.07030	38.4
106.02881	14.3
107.08593	21.9
109.06512	7.7
109.10172	4.9
111.04394	2.5
112.99131	20.8
115.03368	5.9
117.53634	2.6
119.08584	30.9
121.10150	25.8
123.08048	4.0
123.11723	30.6
129.06998	5.1
131.00188	17.4
131.08585	4.6
133.10118	8.6
137.13272	5.5
141.09126	2.4
143.08627	2.5
145.10176	6.3
147.07933	3.0
147.11699	97.9
149.01205	8.0
157.10071	5.9
159.11613	4.9
165.12764	78.5
172.02788	2.6
175.11191	11.1
193.03850	3.0
193.12279	25.4
197.15404	12.0
208.08545	3.1
211.13295	12.5
225.11215	2.4
225.14830	3.7
226.12259	5.6
228.12518	5.2
229.14377	5.0
243.08945	4.5
243.12337	5.9
243.14934	7.2
243.17415	5.5
243.28728	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	241.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01881	0.8
55.05519	3.4
56.02646	1.2
56.96548	0.5
57.07079	0.7
59.04995	0.6
59.99573	0.4
65.03955	0.7
67.05508	21.0
69.07063	4.0
70.14819	1.7
70.15156	0.4
71.04996	100.0
71.62974	0.4
72.05324	0.5
74.38562	0.4
77.32593	0.4
79.05495	11.0
81.07059	34.3
83.04999	2.7
83.08632	2.7
85.06543	4.8
91.05492	7.2
93.07048	21.4
93.07645	1.0
95.04987	1.9
95.07993	1.0
95.08607	16.2
97.06528	3.8
98.21258	0.9
98.97584	2.9
99.08098	2.0
101.06036	0.5
104.90781	0.4
105.07028	3.1
107.08590	8.3
109.06541	1.5
109.10170	1.5
111.08107	2.0
115.05469	0.5
115.07598	0.7
116.98657	1.2
117.07027	5.9
119.08615	1.5
121.06538	0.5
121.10148	2.8
123.08092	0.4
125.09645	0.8
127.07548	0.7
129.09158	0.5
131.08557	6.5
133.10141	6.9
135.08092	1.6
135.11696	16.5
143.08557	0.6
145.10182	0.4
146.49057	0.4
149.09624	0.9
149.13272	11.0
149.14386	0.9
151.11203	1.0
159.11703	19.9
161.13206	0.6
163.11226	1.5
165.50319	0.5
169.81081	0.4
171.11700	0.5
171.50630	0.4
177.00673	0.8
177.12750	12.6
209.15402	3.9
215.44856	0.4
227.12886	0.6
241.12331	0.7
241.17802	0.9
241.19859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31419	0.4
51.02388	0.4
53.03949	1.7
54.62094	0.5
55.01871	0.5
55.05508	3.8
56.02657	1.1
56.96562	1.7
57.03429	0.6
57.07074	0.5
59.04995	0.8
65.03927	1.0
67.05505	22.6
69.07071	4.2
69.87636	2.8
71.04993	100.0
71.08638	0.7
72.72947	0.5
79.05495	12.0
81.07058	36.5
83.04980	1.9
83.08606	2.3
85.06541	6.6
91.05484	8.6
93.07043	25.8
95.04982	2.1
95.08610	19.7
97.06517	3.8
97.99237	0.5
98.21469	0.6
98.97584	4.5
99.08106	2.4
105.07027	5.2
107.04936	0.6
107.08600	8.9
108.68208	0.5
109.06525	2.2
109.10172	1.4
111.04446	0.7
111.08060	2.7
115.07599	1.1
116.98650	1.8
117.07016	8.3
117.07763	0.8
119.08606	1.8
121.06507	0.7
121.10123	2.8
127.07606	1.0
129.09135	0.6
131.08582	7.5
133.10124	7.8
135.08058	1.1
135.11696	16.4
140.00189	0.6
142.07820	0.6
145.10147	1.6
149.09637	1.3
149.13264	9.8
151.11235	0.6
159.11697	16.7
163.11221	1.5
177.00745	1.1
177.12750	10.7
209.15329	3.8
227.12865	2.1
241.12321	0.7
241.16006	0.8
241.17818	0.9
241.19746	1.5
256.74689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05510	5.2
56.02658	0.8
56.96577	1.8
57.03414	1.1
57.07079	1.4
57.86346	0.7
59.05000	1.1
65.03944	0.8
67.05508	24.5
69.07080	4.6
71.04996	100.0
71.08634	0.9
71.54822	1.1
75.33782	0.6
79.05499	12.7
81.03432	0.9
81.07059	38.4
83.04987	2.1
83.08604	4.0
85.06545	6.4
91.05481	8.8
92.12695	0.6
93.07045	24.8
93.07646	1.3
95.04986	2.7
95.08616	20.2
97.06030	0.8
97.06529	4.4
98.97595	5.3
99.08109	2.8
101.06013	0.8
103.86497	0.6
105.07054	4.2
107.04997	0.9
107.08589	8.3
109.06519	1.9
109.10178	2.4
111.08100	1.9
115.03883	0.7
116.98644	3.2
117.07032	7.2
119.08604	2.1
121.06532	1.1
121.10168	3.1
123.08075	0.9
125.09589	0.8
127.07599	1.0
129.07022	1.2
129.09094	0.6
131.08559	8.0
133.10139	7.3
134.99728	1.9
135.11696	18.9
140.00226	1.0
145.10158	1.7
149.09698	1.4
149.13266	10.9
149.14363	0.8
157.10139	1.0
159.11703	18.0
163.11252	1.3
171.11702	1.0
177.00751	1.3
177.12755	9.9
177.14035	0.9
185.13155	1.1
194.92360	0.9
195.01848	0.9
199.09239	0.7
199.14955	0.9
208.62370	1.1
209.06186	0.8
209.11845	1.1
209.15370	3.7
227.12737	5.4
241.16022	1.3
241.19753	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	241.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	1.1
55.05515	4.2
56.02657	1.8
56.96551	1.5
57.03447	0.8
59.05005	0.9
65.03935	1.5
67.05505	22.8
67.37548	0.6
69.07078	4.3
69.83224	2.8
71.04995	100.0
73.06570	1.0
76.07211	0.7
79.05502	11.8
81.07058	35.7
83.05002	2.2
83.08621	2.3
85.06551	5.9
86.09718	0.7
91.05475	6.7
93.07048	22.8
95.04990	2.0
95.08612	17.1
97.06523	5.1
98.97606	3.5
99.08116	2.5
105.07048	4.1
107.05013	0.6
107.08586	8.6
107.09204	0.7
109.06548	2.2
109.10194	1.9
111.08110	2.0
113.09738	0.6
116.98672	1.8
117.07023	7.0
119.08616	1.9
120.34239	0.5
121.06492	0.6
121.10156	2.6
123.08082	0.7
125.00028	1.4
125.09634	0.7
127.07539	1.2
129.09138	0.7
131.08575	7.7
133.10139	7.3
135.08055	1.1
135.11690	17.2
135.12733	1.1
145.10190	0.9
149.09702	1.2
149.13257	10.6
149.14372	0.7
150.12892	0.6
153.12904	0.5
157.10164	0.6
159.11700	18.0
163.11172	1.2
169.10216	0.5
171.11812	0.8
177.12770	10.8
185.13257	0.6
199.14781	1.1
209.15401	3.7
227.12941	1.6
241.10344	1.2
241.15907	0.9
241.17667	0.8
241.19664	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	241.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40036	0.9
53.03952	1.0
55.01873	1.1
55.05520	5.3
56.02647	1.1
56.96578	1.4
57.07063	1.5
57.13856	0.7
59.05015	1.0
63.17756	0.9
67.05509	22.9
69.07079	4.9
70.23306	2.0
70.23698	1.7
70.98119	1.0
71.04997	100.0
73.06607	1.0
79.05492	12.9
81.07060	37.0
83.05000	2.4
83.08620	2.8
85.06554	5.4
86.09728	1.0
91.05463	7.0
93.06486	1.5
93.07052	24.3
95.04969	2.5
95.08609	19.4
97.06526	6.0
97.10124	1.0
98.97605	5.9
99.08092	1.4
104.60890	0.7
105.07024	4.9
107.08606	11.1
109.06531	2.0
109.10153	2.1
111.08080	2.5
115.07584	1.1
116.98626	4.5
117.07001	7.2
119.08604	3.3
121.06495	1.2
121.10133	3.4
125.00105	1.0
129.07018	1.2
131.08588	7.0
133.10136	8.6
134.99632	1.4
135.08041	1.1
135.11700	17.4
135.22437	0.8
140.00233	1.1
143.08548	1.9
145.10074	1.6
149.09575	1.3
149.13284	10.2
152.96391	0.8
157.10167	1.4
159.10471	1.8
159.11708	21.6
160.54150	0.8
161.13400	1.0
163.11188	2.9
171.11723	1.4
177.00661	1.4
177.12756	11.3
185.13243	1.2
199.14832	1.6
209.06017	0.9
209.11700	1.9
209.15405	2.4
223.13261	0.9
223.20476	0.9
227.12813	3.6
241.15865	1.3
241.17867	3.2
241.19632	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	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.43830	0.2
58.06605	14.5
70.06596	2.5
70.81268	0.2
70.81583	0.2
72.08148	0.4
81.03403	0.5
84.07648	0.5
84.08149	8.7
85.02904	0.2
85.06536	0.3
98.09692	1.2
98.97590	1.3
100.11233	0.3
114.05535	0.4
116.07055	0.4
116.10741	0.2
116.98595	0.4
119.01900	0.2
121.53912	0.2
122.04405	0.2
126.05536	0.4
126.09155	0.3
128.10718	2.8
134.06026	0.3
136.06172	0.4
137.06549	0.3
137.56172	0.2
143.01871	0.3
144.10165	1.2
147.05795	0.3
150.09163	0.2
158.01340	0.2
158.08061	0.3
164.07082	4.3
168.10222	1.1
181.09714	0.2
196.09692	5.1
213.15999	0.5
223.10786	0.4
240.27696	0.2
241.15482	100.0
242.15799	0.5
245.80832	0.2
246.59232	0.2
248.56221	0.2
253.59842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06234	0.4
53.03937	1.3
55.01876	3.3
55.05511	7.4
56.76332	0.4
57.03423	1.3
57.07059	1.0
65.03927	0.6
65.68441	0.3
67.05509	10.2
69.03439	0.7
69.07070	4.7
70.21696	1.5
71.04978	1.4
73.02900	0.9
79.05500	15.8
81.03417	1.8
81.06604	0.7
81.07065	12.2
82.34257	0.3
83.04986	2.4
83.08625	7.3
87.20597	0.4
91.05486	4.7
93.07050	24.2
93.53355	0.4
95.04978	4.6
95.08614	27.4
97.02892	2.5
97.06518	2.3
98.97559	0.7
99.04440	2.9
103.05452	0.7
105.07040	4.1
107.04967	6.4
107.07880	0.9
107.08601	18.6
109.06525	1.4
109.10146	1.3
111.04437	1.5
111.08092	1.3
113.05990	0.6
117.07014	6.0
119.08598	6.8
121.06506	3.8
121.10148	9.2
125.05998	1.8
129.06976	0.4
130.07790	1.3
133.10136	1.3
135.08139	2.1
135.11700	33.3
139.07535	1.1
139.11189	0.4
141.92303	0.3
143.08528	0.6
145.10133	20.0
153.12680	0.7
163.11191	45.8
165.28732	0.4
173.09660	1.2
181.12242	11.3
191.10670	0.7
209.11766	2.7
227.12791	100.0
228.13193	0.8
241.14412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	14.7
70.06597	2.5
70.70606	0.4
72.08151	0.5
80.05021	0.2
81.03409	0.4
82.34445	0.2
84.08146	7.8
85.06535	0.2
96.80104	0.1
98.06064	0.3
98.09698	1.1
100.11242	0.2
104.10749	0.2
114.05508	0.4
116.07088	0.3
116.10731	0.4
118.08649	0.2
124.07619	0.2
124.11250	0.2
126.05514	0.4
126.09206	0.3
128.10721	3.7
136.06163	0.3
144.10162	0.9
150.86667	0.2
158.08122	0.2
164.07080	1.4
168.10228	0.8
196.09700	5.2
213.15993	0.4
218.08765	0.2
241.15479	100.0
242.15860	0.8
262.15320	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	240.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11252	1.4
61.56121	1.7
70.13290	7.7
70.13647	1.4
83.17930	1.6
84.04476	2.1
101.00941	1.5
103.26197	1.9
119.02009	1.7
138.96431	18.9
145.01617	1.9
156.97495	100.0
174.98540	42.8
179.99113	5.0
180.01692	1.9
180.97466	2.4
192.63954	2.2
198.00198	3.7
198.98541	59.1
215.96901	1.7
216.99596	99.1
222.00107	5.5
222.05255	2.1
228.01128	2.2
239.98381	2.4
240.01280	6.7
241.95113	1.8
258.02936	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	239.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.05513	18.1
56.96569	14.6
57.03423	2.8
57.07061	7.0
59.05007	3.0
60.51356	1.8
64.80302	1.9
67.05186	3.1
67.05508	42.9
69.07069	29.9
69.50372	5.3
69.50791	6.9
71.04989	5.8
71.08648	2.4
72.99780	1.6
79.05503	23.6
80.94846	4.4
81.07061	71.0
83.04964	7.4
83.08630	13.9
85.02912	2.3
85.06537	5.5
86.28922	1.8
89.06033	6.9
91.05485	12.0
93.07050	25.5
95.04982	3.9
95.08614	43.0
97.06534	13.1
97.10175	15.3
98.21177	7.0
99.04434	6.1
101.06023	5.9
105.07040	17.5
107.08597	25.7
109.06557	2.8
109.10160	35.5
111.08070	5.7
111.11732	11.1
113.09644	2.0
115.07581	4.5
119.08570	12.7
121.10157	15.1
123.08069	3.5
123.11709	34.5
125.09644	9.4
126.64591	2.1
129.07019	2.2
129.09131	5.1
133.08583	4.5
133.10091	9.8
135.08084	2.1
135.11705	4.2
137.06020	2.0
137.09637	3.2
141.06961	2.1
143.08536	3.8
145.10135	3.2
147.11711	23.8
149.13239	3.7
157.10112	2.3
161.13268	5.4
163.14818	32.1
169.10187	4.6
171.11739	3.6
175.14859	3.2
179.10709	2.0
183.11693	6.3
186.10425	5.0
192.91159	2.5
197.13231	4.5
198.18587	3.1
203.12730	2.9
203.17982	48.2
210.92090	2.8
221.15329	4.5
221.18999	14.3
224.80843	1.8
239.08919	100.0
239.17934	16.5
239.20103	26.0
250.27632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03957	1.7
55.05513	18.1
56.96569	14.6
57.03423	2.8
57.07061	7.0
59.05007	3.0
60.51356	1.8
64.80302	1.9
67.05186	3.1
67.05508	42.9
69.07069	29.9
69.50372	5.3
69.50791	6.9
71.04989	5.8
71.08648	2.4
72.99780	1.6
79.05503	23.6
80.94846	4.4
81.07061	71.0
83.04964	7.4
83.08630	13.9
85.02912	2.3
85.06537	5.5
86.28922	1.8
89.06033	6.9
91.05485	12.0
93.07050	25.5
95.04982	3.9
95.08614	43.0
97.06534	13.1
97.10175	15.3
98.21177	7.0
99.04434	6.1
101.06023	5.9
105.07040	17.5
107.08597	25.7
109.06557	2.8
109.10160	35.5
111.08070	5.7
111.11732	11.1
113.09644	2.0
115.07581	4.5
119.08570	12.7
121.10157	15.1
123.08069	3.5
123.11709	34.5
125.09644	9.4
126.64591	2.1
129.07019	2.2
129.09131	5.1
133.08583	4.5
133.10091	9.8
135.08084	2.1
135.11705	4.2
137.06020	2.0
137.09637	3.2
141.06961	2.1
143.08536	3.8
145.10135	3.2
147.11711	23.8
149.13239	3.7
157.10112	2.3
161.13268	5.4
163.14818	32.1
169.10187	4.6
171.11739	3.6
175.14859	3.2
179.10709	2.0
183.11693	6.3
186.10425	5.0
192.91159	2.5
197.13231	4.5
198.18587	3.1
203.12730	2.9
203.17982	48.2
210.92090	2.8
221.15329	4.5
221.18999	14.3
224.80843	1.8
239.08919	100.0
239.17934	16.5
239.20103	26.0
250.27632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1642
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
55.01855	4.8
55.05519	25.7
56.96559	9.2
57.03429	5.8
57.07067	7.2
57.63786	2.6
59.05017	14.4
59.05253	2.7
67.05513	36.2
69.03409	3.2
69.07070	22.2
69.15625	3.1
70.28230	4.3
71.05000	16.9
79.05502	30.3
80.94836	4.2
81.03415	5.7
81.06601	2.9
81.07068	43.3
83.04985	11.9
83.08624	14.0
85.02903	5.8
85.06539	6.9
89.06027	5.0
91.05486	27.3
93.06563	3.2
93.07053	35.1
95.04974	44.3
95.08614	31.8
97.02911	2.3
97.06544	28.3
99.04454	15.4
99.08104	3.1
105.03403	8.8
105.07049	35.2
107.04976	23.9
107.08578	21.1
109.06528	12.4
109.10181	16.9
111.04443	9.8
111.08095	3.4
113.09683	4.9
117.07013	13.3
119.08604	25.4
121.06510	9.1
121.10128	11.7
123.04372	3.2
123.08063	7.1
128.06250	6.0
129.07018	9.9
131.08597	5.1
133.06517	17.7
133.10121	16.3
135.08055	3.0
135.11684	8.6
137.09621	7.3
143.08565	12.5
145.10139	9.1
147.08076	3.6
147.11691	7.5
155.08549	5.1
157.10115	7.3
158.01399	2.6
159.11684	6.5
161.09619	4.8
161.13287	13.4
163.11192	11.6
165.12773	8.8
169.10161	8.5
171.11674	5.2
175.11174	3.9
175.14844	5.2
177.12775	8.2
179.14343	40.2
180.00362	3.0
183.11687	10.9
185.13240	9.2
197.13338	8.2
203.14333	12.3
206.02129	7.4
207.13803	4.8
221.11768	3.1
221.15369	61.6
221.18652	2.9
224.03145	3.8
239.05444	6.9
239.08923	100.0
239.12524	5.4
239.16040	5.7
239.18266	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01882	7.5
55.05516	61.4
55.09521	0.9
56.96571	4.4
56.96815	0.9
57.03428	1.3
57.07064	2.6
59.81867	0.8
60.15193	1.0
60.95849	1.2
61.02933	1.3
67.05501	6.8
69.03426	3.3
69.07068	3.7
69.84031	4.8
70.06590	2.9
71.04981	3.4
71.08607	1.1
72.08150	1.9
73.02930	5.2
74.99064	9.2
79.05485	1.6
81.03419	1.3
81.07063	5.4
83.08626	76.1
84.04505	2.1
84.08137	6.3
85.02908	6.2
86.09701	2.4
87.04453	0.9
90.03415	1.3
91.05471	1.6
93.00112	9.7
95.04997	2.0
95.08614	4.4
97.02886	3.7
97.06533	1.5
98.06050	1.7
98.20708	1.2
98.97574	3.1
99.04429	0.9
101.09659	11.9
102.98534	7.6
103.05507	1.0
105.03379	1.0
105.07018	1.2
107.08608	1.5
109.10159	2.5
111.04414	1.0
112.05106	1.8
112.99129	8.2
116.98467	5.0
119.08597	1.1
120.08088	1.9
120.99578	40.2
121.06500	2.8
123.11720	1.6
126.01083	22.2
127.03951	2.1
129.10216	2.5
131.00182	5.9
132.00528	1.6
133.10103	1.8
134.99474	4.9
135.08044	1.0
139.00587	2.8
145.05000	1.0
149.01192	3.4
153.00522	2.2
164.96878	0.9
169.04411	2.4
169.54539	2.6
170.03969	1.0
170.54335	1.2
172.95279	0.9
179.02060	1.0
179.55002	1.3
190.96317	1.4
193.03746	1.8
221.08235	1.9
221.22765	1.0
238.57843	2.2
239.06876	16.6
239.08961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68520	1.6
53.03946	4.5
55.01854	4.9
55.05507	8.7
56.69556	1.5
56.96306	1.9
56.96566	27.8
57.03425	5.6
61.02931	10.4
64.45302	1.6
67.05493	2.3
68.22383	1.6
69.03431	26.0
69.07080	4.0
70.06592	8.3
70.21321	1.6
71.04974	4.7
71.44836	2.6
71.54649	1.4
72.08168	15.3
73.02914	10.0
74.02439	2.4
79.05492	3.3
81.03413	8.4
83.01331	1.5
83.04987	2.2
83.08627	5.7
84.08144	11.2
85.02908	46.6
86.09718	12.7
87.04484	9.5
91.03950	4.2
91.05481	3.7
93.07019	4.4
97.02337	3.9
97.02900	28.3
98.97591	16.5
99.04448	7.3
103.05453	2.3
106.02838	3.1
106.06544	5.5
109.02860	7.4
110.97561	3.5
112.99136	84.2
113.99429	1.7
116.98618	8.0
119.06874	1.8
120.08111	9.4
120.99584	4.0
121.06509	38.1
121.08437	16.0
122.06022	1.6
122.06863	2.3
124.99091	1.8
127.03955	11.5
128.98589	2.5
129.10249	3.8
130.08604	2.4
131.00179	100.0
131.03571	1.9
133.03320	5.7
134.99663	2.3
135.04359	2.5
135.47673	1.4
136.93147	16.9
137.07921	3.3
139.03348	7.7
143.00166	3.4
145.04938	7.9
146.06024	7.4
146.09641	3.9
147.06354	24.3
147.11295	2.7
148.03903	3.4
149.01233	46.6
149.04327	2.4
150.05553	2.0
154.01683	1.9
154.03853	2.4
154.94214	22.2
157.05194	6.0
158.99677	2.5
160.03864	2.1
161.01196	4.6
163.02684	1.7
163.03835	8.7
166.05670	2.6
166.08650	4.3
167.02403	3.6
167.09004	11.5
169.04398	37.7
170.04112	20.4
172.95280	41.7
175.02771	10.6
175.05840	4.5
177.00771	2.1
178.04976	6.3
179.04669	8.9
190.55464	1.8
190.96396	13.2
192.06560	6.4
192.08498	2.0
192.10196	5.1
192.11908	2.2
193.02083	1.9
193.03859	30.4
193.06761	2.6
195.96660	1.9
203.05339	2.6
211.04915	19.6
214.96249	5.4
215.00110	5.0
215.03868	3.1
215.05904	1.7
219.01735	2.5
220.09808	2.2
229.07306	5.0
231.02061	1.6
232.97301	5.2
232.99580	3.9
235.04965	4.4
237.02715	2.7
238.02251	5.3
238.05362	1.6
238.07838	11.4
238.10722	3.6
238.14543	5.5
239.06825	2.3
239.08929	9.8
251.05988	8.5
256.03400	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	237.2215
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03929	3.7
55.01874	3.2
55.05516	48.9
55.79359	1.4
56.96558	2.1
57.03442	4.0
57.06837	1.5
57.07080	20.1
67.05509	51.1
67.93925	1.5
69.07072	67.0
71.04980	6.5
71.08631	9.7
71.53555	2.4
79.05495	31.1
79.55753	1.4
81.03417	3.9
81.07062	76.8
83.04993	6.4
83.08623	56.7
85.06538	4.6
85.10180	3.2
91.05477	5.6
93.07043	42.2
95.04979	20.8
95.08614	65.6
97.06538	23.2
97.10171	29.6
99.08070	3.4
105.07034	4.3
107.04938	2.7
107.08599	29.8
109.06499	2.6
109.10167	28.0
111.04437	2.4
111.08092	12.0
111.11761	7.1
113.09645	1.7
115.03876	1.5
117.07008	2.8
119.08558	4.6
121.10151	55.4
123.08054	1.8
123.11716	18.7
125.09636	4.4
127.11151	2.5
131.08545	3.0
131.48967	1.8
133.10138	2.5
135.08121	2.0
135.11703	40.5
137.09610	1.7
137.13257	14.2
139.11189	4.3
145.10083	4.0
146.05972	2.2
149.13271	20.0
151.14798	2.0
153.12697	1.7
158.41402	1.6
159.11739	3.6
161.09622	1.6
163.11108	3.4
163.14807	9.6
167.14198	1.5
177.16411	3.0
191.10704	2.5
191.17645	1.7
192.06581	2.7
194.28197	1.5
195.11723	1.9
205.15993	1.7
207.11633	2.2
209.09332	1.4
209.11743	4.3
219.13844	2.4
219.17741	2.7
219.21094	51.8
222.13989	2.9
237.11253	3.3
237.14645	12.9
237.16190	1.9
237.18416	3.5
237.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03933	1.5
55.01860	4.1
55.05513	12.8
56.96558	6.4
57.03433	3.5
57.07061	5.1
59.04992	2.4
65.03937	2.1
67.05176	2.7
67.05508	30.7
69.03462	2.3
69.06731	1.6
69.07069	14.9
70.18604	5.8
71.04999	5.6
72.90855	1.3
73.63904	1.2
76.68805	1.4
79.05493	24.9
81.03401	10.5
81.07060	58.1
83.04984	7.9
83.08614	6.5
83.49249	1.6
85.02891	2.8
85.06551	7.8
87.04446	1.7
91.05482	22.6
93.07045	45.6
95.04966	12.6
95.08614	48.4
97.02923	1.6
97.06524	9.9
97.10158	4.7
99.08080	2.9
105.07034	50.6
107.04958	5.0
107.08605	45.6
109.06521	32.9
109.09476	2.5
109.10165	34.6
111.04491	2.8
111.08063	5.5
111.11723	1.6
112.99123	2.0
117.07024	12.6
119.08590	36.2
121.06545	7.6
121.10148	48.0
123.08096	7.4
123.11725	10.1
125.09644	3.0
127.07529	1.7
129.07001	2.4
130.07799	2.2
131.08562	29.3
133.10133	14.8
135.08051	4.4
135.11703	24.9
137.09633	2.1
141.06998	3.9
143.08569	4.2
144.09312	2.9
145.06461	2.0
145.10127	65.1
147.11671	8.4
149.01291	1.6
149.09616	6.1
149.13264	7.1
151.11185	8.3
157.10146	3.0
158.99622	1.6
159.11707	54.6
161.13242	11.0
163.11176	6.0
163.14853	2.4
165.12799	2.8
169.10124	5.4
172.94185	1.9
173.13249	17.1
175.14818	27.6
177.12758	4.7
177.16402	10.7
187.11183	6.4
189.16350	2.4
191.14267	2.5
191.17947	22.2
192.06595	1.9
195.13641	1.6
201.16391	100.0
205.12276	3.7
219.14046	2.5
219.17450	72.7
237.07576	2.0
237.10910	2.6
237.12770	1.3
237.14803	26.9
237.18501	25.9
237.22194	5.7
253.62831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01885	1.6
55.05511	8.7
57.03448	1.6
57.03761	1.3
57.07074	3.4
59.05000	2.1
65.03936	1.8
67.05515	12.6
69.07063	12.4
71.05005	3.3
71.08627	1.7
71.53935	2.3
77.03915	1.4
79.05486	10.8
81.07057	41.7
83.04991	5.7
83.08594	6.8
85.06560	3.6
91.05479	12.0
93.07056	38.4
95.04974	4.3
95.08612	54.5
97.06536	10.5
97.10160	2.2
105.07033	51.2
107.04961	2.2
107.08602	43.7
109.06530	9.6
109.10172	29.1
111.04472	2.3
111.08089	4.1
117.06998	7.7
119.08590	27.7
121.06521	6.2
121.10150	51.0
123.08087	5.2
123.11696	11.3
125.09644	3.5
127.07549	1.7
131.08559	19.0
133.10144	11.8
135.08124	3.4
135.11682	28.2
137.09608	3.3
137.13315	1.9
145.10133	41.5
146.06050	2.0
147.11711	9.8
149.02374	3.3
149.09673	4.2
149.13301	7.6
155.44794	1.6
157.10077	1.7
159.11702	31.0
161.13274	14.3
163.11197	9.1
163.14792	1.6
173.13321	12.5
175.14825	32.4
177.12764	2.6
177.16383	11.9
179.10710	3.0
191.14374	2.7
191.17964	24.8
192.06593	2.0
193.04999	2.9
195.13840	2.3
201.16389	100.0
217.00502	1.7
219.13922	4.6
219.17441	82.3
237.07552	4.0
237.14824	13.7
237.18503	28.5
237.20923	2.0
237.22087	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.05629	2.2
53.03949	27.8
55.01862	7.9
55.05519	22.1
56.96570	35.4
57.03446	3.3
57.07085	11.7
59.04992	3.8
65.03938	4.6
65.35923	2.3
66.76311	2.0
67.05508	64.3
69.03423	3.4
69.07070	18.8
71.01355	2.3
71.04978	4.5
71.37255	3.3
79.05499	44.9
81.03421	51.0
81.07061	100.0
82.91424	2.3
83.05005	13.2
83.08601	11.4
85.06539	9.9
89.08979	2.1
91.05486	29.6
93.06493	3.6
93.07053	63.8
95.04971	37.4
95.08608	57.8
97.06529	7.3
97.10100	2.4
99.08057	3.4
103.05486	3.2
105.07028	20.3
107.04960	36.6
107.08609	26.9
109.02850	4.5
109.06497	9.1
109.10158	15.6
111.04436	5.8
111.08080	8.1
115.04188	2.7
117.07011	19.6
119.04951	5.6
119.08562	12.5
121.06499	11.7
121.10137	16.7
123.04428	3.7
123.08057	15.7
131.04955	3.4
131.08574	23.0
133.10136	10.0
135.08080	6.4
135.11693	31.9
140.04860	3.1
141.06981	7.0
143.08554	3.1
145.06514	13.3
145.10156	12.0
146.06013	3.6
149.02275	2.7
149.13261	18.3
153.09343	3.9
157.01704	2.4
159.11714	28.7
163.11162	4.7
163.14825	2.6
169.10153	10.5
171.03183	2.5
173.28638	2.4
175.02872	2.9
175.08836	10.5
177.12752	22.3
181.05055	2.8
181.10094	2.9
184.09331	11.1
186.59552	2.9
187.09729	3.4
187.11198	22.8
189.04378	3.9
191.10693	3.1
192.06503	4.2
193.09955	6.8
195.11731	4.2
195.60187	4.0
204.60719	2.8
205.12234	6.9
209.11736	10.2
213.07764	2.9
219.10220	3.8
219.17374	4.6
219.21269	3.2
229.07491	5.6
232.10979	2.9
237.07442	4.3
237.14653	34.2
237.16913	3.6
237.18559	6.6
237.22005	3.6
255.08897	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03944	0.6
55.01873	0.6
55.05512	2.1
56.96555	0.9
57.03419	0.4
57.07050	0.4
63.64093	0.2
65.03941	0.4
66.96942	0.2
67.05177	0.3
67.05510	3.5
69.03425	0.6
69.07071	2.0
70.47118	0.4
70.47484	0.5
71.04982	0.8
71.08607	0.3
76.79762	0.2
77.00907	0.3
79.05075	0.3
79.05503	4.6
80.68409	0.2
81.03407	0.7
81.06597	0.5
81.07065	9.3
83.04977	1.4
83.08630	1.2
85.02910	0.3
85.06539	0.3
91.05489	2.8
93.03380	0.2
93.07047	3.2
95.04976	8.3
95.08617	2.7
97.06521	0.9
97.10174	0.6
98.97588	0.3
99.04468	0.3
99.08114	0.3
101.06009	0.5
101.91290	0.2
105.07037	1.8
107.04974	1.2
107.08608	2.1
108.05747	6.7
109.02873	0.2
109.06530	17.1
109.10139	1.0
111.04469	0.6
111.08071	0.4
111.51104	0.2
117.06984	1.0
119.08600	1.0
121.06503	2.8
121.10154	1.4
123.08063	0.7
123.11716	0.3
125.09665	0.6
127.07513	0.2
129.06935	0.3
131.08617	1.8
133.10132	0.7
135.08046	0.8
135.11693	0.9
137.05971	0.6
141.07014	0.2
145.10094	1.0
146.06032	0.4
147.11629	0.3
149.02374	1.0
149.09625	0.5
149.13264	0.6
151.07529	0.2
159.11671	1.4
161.09552	0.4
161.13258	0.4
163.07553	0.4
173.13342	0.4
177.05508	0.3
177.09018	0.3
177.12726	1.1
179.10684	0.3
183.11700	0.5
191.10715	0.3
191.14351	0.6
193.04956	0.3
195.11742	0.4
195.13718	0.2
196.91730	0.2
201.12787	0.5
201.16386	0.7
213.07857	0.2
213.96909	0.3
219.13850	2.2
219.17380	0.7
227.15877	0.3
237.14870	100.0
238.15198	1.1
255.14468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1235
Annotation	Phe Ala
Peak:m/z	Relative Intensity
53.03939	0.2
55.05503	0.5
56.05064	0.1
56.96557	0.8
57.03435	0.3
61.02921	0.2
67.05514	0.2
69.03432	0.3
69.07066	0.4
70.06590	0.7
71.04993	0.2
71.10177	0.3
72.08162	0.8
72.44267	0.1
73.02917	0.2
74.02429	0.4
79.05482	0.4
81.07062	0.4
83.04991	0.4
83.08625	0.2
84.04528	0.2
84.08138	1.6
85.02914	0.4
86.09709	0.7
88.03995	0.4
90.05552	0.4
91.05491	0.7
93.07040	1.7
94.06581	1.1
95.08610	0.4
97.02875	0.3
98.97566	1.1
99.00866	0.2
103.05470	4.4
104.04951	0.2
105.03324	0.1
105.07037	0.2
107.08606	0.3
109.02860	0.2
112.99140	0.7
114.99616	0.2
116.98645	0.5
118.06532	1.2
119.04932	0.2
119.07244	0.2
120.08109	100.0
121.06456	0.2
121.08465	0.3
121.10154	0.2
123.08106	0.2
129.10233	0.5
131.00183	0.5
131.04959	0.2
131.08595	0.3
132.04424	0.2
132.99763	0.2
133.01747	0.2
135.04401	0.2
135.11736	0.2
136.07585	2.0
137.05908	0.2
139.01817	0.1
143.00172	0.2
146.06013	3.3
146.09683	0.2
149.01253	0.3
150.05528	0.4
154.94225	0.2
163.03923	0.5
163.14897	0.2
164.07072	0.7
172.94217	0.2
174.05505	1.5
177.05423	0.2
191.11906	0.2
192.06528	1.6
192.10226	0.3
193.24861	0.1
194.00369	0.2
195.08586	0.2
202.05025	0.5
213.94164	0.2
218.69766	0.2
220.06085	0.7
237.02368	0.3
237.05391	0.3
237.09042	0.3
237.12373	4.8
237.14821	0.4
237.22115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03943	0.5
55.01851	0.9
55.05511	3.3
56.96551	1.5
57.03436	0.5
57.07073	0.8
66.33647	0.5
67.05505	4.9
68.03909	0.4
69.03433	0.9
69.07065	2.2
71.04981	1.6
71.54232	0.4
79.05497	5.8
81.03406	1.6
81.07059	9.1
82.48203	0.4
83.04973	2.3
83.08610	1.7
85.06535	0.4
87.04436	0.5
91.05478	3.2
93.07043	4.0
95.04971	8.0
95.08600	4.4
97.06504	1.0
97.10155	0.7
98.97586	0.5
99.04492	0.5
101.06009	0.6
105.06992	2.2
107.04965	1.4
107.08588	3.4
107.12874	0.4
108.05732	6.6
109.06524	17.0
109.10177	2.0
111.04446	0.9
111.08086	0.8
113.89149	0.4
117.07018	1.7
119.08566	1.8
120.83557	0.4
121.06512	3.1
121.10122	2.1
123.04401	0.6
123.08043	0.7
123.11693	0.8
125.09607	0.8
128.06302	0.4
131.08580	1.6
133.10143	1.3
135.08040	1.5
135.11650	1.4
141.07010	0.7
145.10106	1.5
146.06000	0.4
147.11620	0.6
149.02359	0.6
149.13277	0.9
151.11154	0.4
159.11652	1.7
160.23730	0.4
161.09599	0.9
161.13229	0.5
163.07512	0.7
163.11191	0.4
169.10167	0.5
172.94272	0.6
173.13252	1.0
175.14882	0.5
177.12788	1.1
177.16266	0.4
179.10489	0.6
184.74127	0.4
187.11133	0.6
191.14308	0.7
192.06635	0.5
193.04985	0.6
195.13928	0.6
201.16457	1.0
205.08626	0.5
205.61066	0.5
219.10246	0.6
219.13785	2.8
219.17424	0.7
237.14848	100.0
237.22189	1.4
238.15109	0.7
242.79337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0871
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
56.96556	0.8
67.05522	0.4
68.13502	0.4
69.07060	0.4
70.06586	0.4
70.77219	0.5
70.93571	0.8
72.08163	0.6
74.02448	5.0
81.07069	0.7
84.08141	0.9
91.05479	1.8
93.07056	0.4
94.06579	9.5
98.97581	2.0
99.00827	2.1
104.04998	1.8
110.06067	0.6
112.99113	0.7
116.98621	0.6
118.06551	10.2
120.04485	3.9
120.08116	1.6
121.10220	0.4
122.06027	0.6
128.04958	3.7
130.06528	3.0
131.07265	0.4
132.04460	3.4
136.07593	12.0
139.30901	0.4
146.06018	100.0
148.03960	4.3
150.05522	3.9
156.04488	0.6
157.07579	2.2
158.06017	1.2
158.99667	0.6
159.09268	0.4
163.08688	0.5
164.07100	2.7
166.08693	1.1
173.07057	1.2
174.05537	13.3
177.00931	0.5
178.04926	0.5
191.08197	3.8
192.06558	10.3
202.04997	5.0
203.08208	1.8
219.05899	1.2
219.07710	1.4
220.06047	5.5
237.08795	7.7
237.11249	0.6
237.12363	0.7
237.22246	0.4
240.78094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35226	0.3
62.05923	0.3
70.31002	1.2
70.31346	0.4
82.99839	0.3
98.21431	0.4
98.97624	0.6
98.98473	0.4
101.00897	1.9
104.95898	0.3
119.01939	2.1
119.90140	0.3
122.96956	1.5
134.96956	0.7
137.03030	0.4
138.96439	1.7
140.97993	1.5
142.03476	0.7
152.97971	15.3
156.97482	4.7
170.99048	100.0
171.99146	0.6
174.98541	1.3
184.98740	0.4
189.00101	57.7
190.00253	0.7
194.00645	1.6
194.99030	4.7
195.00934	0.5
195.01314	0.4
198.98503	1.6
203.99672	0.7
212.01614	0.4
213.00102	52.9
214.00296	0.4
231.01161	53.7
236.01694	1.2
254.02870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05500	5.5
57.07063	5.5
57.38769	1.3
59.04964	1.4
67.05515	10.1
69.07067	14.5
69.31223	11.6
71.04975	3.5
79.05480	4.4
81.06599	2.1
81.07061	36.6
82.94209	1.3
83.08619	5.0
85.06546	17.5
91.05460	3.4
93.07049	20.5
95.08612	47.5
96.38331	1.4
97.06544	2.6
97.10153	4.3
105.07038	9.4
107.08596	19.6
109.10160	25.3
111.08094	2.5
111.11725	2.7
113.09664	1.4
118.08662	15.6
119.08589	7.3
121.10159	17.5
123.11713	29.0
133.10114	5.0
135.11703	24.9
137.13252	20.3
138.96904	1.5
139.11168	3.2
141.12762	2.3
147.11703	7.4
149.13287	5.7
161.13274	10.6
168.60652	1.4
175.14809	5.3
177.16382	1.7
189.16431	2.0
191.17969	4.3
201.53621	1.5
217.19519	28.7
232.42163	1.5
235.13232	2.3
235.16794	4.0
235.20573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05515	8.9
57.07086	6.9
59.05000	2.3
67.05502	17.2
69.07073	19.2
71.04983	4.9
71.54783	1.6
79.05489	8.1
81.06596	2.7
81.07063	48.0
83.08616	7.3
85.06544	20.4
87.40849	1.3
87.57973	1.4
91.05479	6.1
93.07048	25.2
95.08615	56.4
97.06511	3.6
97.10174	3.9
99.08134	1.4
105.07034	13.9
107.08599	21.7
109.06526	1.7
109.10162	34.1
111.08071	5.5
111.11703	1.9
118.08654	7.7
119.08574	10.8
120.28591	1.1
121.10156	20.3
123.11708	30.6
133.10130	7.7
135.11697	25.7
137.13251	25.7
139.11143	2.3
141.12785	1.9
147.11714	8.0
149.13275	4.1
153.12785	2.2
153.54295	1.3
159.36742	1.3
161.13263	17.6
165.12767	1.5
175.14830	5.7
177.16373	2.2
179.14378	2.2
189.16293	1.8
191.18013	2.7
217.19530	29.2
235.13280	3.1
235.16843	5.4
235.20576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
50.25028	0.8
51.02366	0.8
53.03930	3.3
55.01864	2.2
55.05510	9.1
56.96565	10.6
57.03447	1.2
57.06794	1.0
57.07073	15.2
58.96117	3.1
59.05000	1.5
65.03940	1.3
66.51084	0.9
67.05507	27.7
69.03403	1.1
69.07069	10.7
70.37753	1.4
70.38129	1.9
71.04984	2.7
71.33253	0.8
73.17684	0.9
79.05493	55.2
81.03423	1.8
81.07056	27.3
83.04971	3.2
83.08624	6.6
85.06541	2.4
91.05480	28.3
93.07045	56.3
95.04975	4.9
95.08611	23.7
97.06524	3.9
97.10151	3.0
98.97589	2.5
99.08099	1.3
99.98727	2.5
105.04536	1.1
105.07035	17.3
107.04939	3.8
107.08597	43.8
108.08945	0.9
109.06510	3.8
109.10175	7.0
111.04500	0.9
111.08073	2.3
112.99130	24.3
113.06007	1.1
117.07002	6.8
119.08588	20.2
121.06493	3.1
121.10146	44.4
123.04463	1.7
123.08065	4.2
123.11684	1.2
129.06967	3.0
131.00174	28.8
131.08600	9.2
133.06471	1.3
133.10141	17.6
135.08072	7.7
135.11679	9.8
137.09630	4.6
139.07451	0.9
143.08594	4.1
145.10103	2.3
147.08015	2.3
147.11739	5.0
149.01205	16.0
149.09636	2.5
149.13257	1.1
151.11163	1.8
153.09090	3.2
154.01776	3.2
157.10123	4.4
159.11702	2.8
161.09575	3.6
161.13263	5.1
167.02296	1.9
171.03255	1.0
171.11694	3.9
172.02812	2.4
173.13313	4.3
174.08087	2.1
175.02776	2.2
175.11223	3.0
175.14838	7.1
179.07010	2.5
179.10681	6.3
183.08543	4.5
185.13260	3.5
185.58844	1.6
189.00670	1.5
189.04338	1.8
189.12750	2.3
189.16394	7.9
192.09076	5.1
193.03836	5.8
194.59380	1.3
199.14819	9.6
203.14285	2.6
207.17377	2.0
211.04865	3.1
217.12318	1.1
217.15898	15.7
217.19507	1.6
223.31093	0.9
229.99080	0.9
235.04831	12.5
235.13512	4.2
235.16928	100.0
235.20683	3.4
253.06046	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	235.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04718	0.2
58.06589	2.4
59.07382	2.0
65.70563	0.2
67.35315	0.2
69.81088	1.0
70.35482	0.2
89.54142	0.2
98.21583	0.2
98.47527	0.2
106.93362	0.2
112.99125	0.9
118.08657	100.0
119.09057	0.2
131.00157	0.4
132.10207	0.6
145.03485	0.2
206.46474	0.2
235.06741	0.6
235.16594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
55.01865	2.0
55.05500	6.3
56.96563	2.1
57.07058	6.1
59.04992	2.9
62.51281	2.0
67.05495	8.4
69.03439	4.5
69.07074	12.8
70.17612	8.2
71.04984	7.4
79.05486	8.0
79.05901	2.0
81.07061	15.4
83.04957	2.4
83.08613	5.7
85.06541	3.4
91.05476	13.9
93.07043	18.7
95.04963	3.3
95.08134	1.8
95.08626	17.5
95.41288	1.6
97.06515	6.2
105.07040	30.5
107.08602	31.7
109.06497	6.4
109.10163	11.8
111.08065	5.3
112.99126	7.5
117.06989	6.3
119.08586	94.9
121.06512	2.9
121.10146	13.6
123.08062	2.7
123.11689	5.7
125.39886	2.0
128.06194	3.8
129.06992	2.2
131.00133	5.3
131.08563	16.8
133.10144	49.5
135.08046	15.7
135.11671	8.5
137.09612	6.6
142.07765	3.4
143.08589	11.2
145.10133	12.2
146.07292	4.3
147.08037	6.6
147.11700	17.7
149.09566	2.9
149.82770	2.0
151.11154	7.6
156.09286	3.5
157.10158	11.9
158.10892	4.5
159.11728	13.0
161.09634	62.0
161.13220	4.0
169.10046	2.5
171.11682	6.7
173.13287	19.1
175.11217	11.8
175.14827	19.8
177.12729	3.9
179.10670	8.5
184.12451	2.7
187.11229	2.6
187.14816	4.1
189.12666	2.3
189.16359	19.8
191.14247	2.4
193.15862	3.7
199.14764	11.3
202.13579	3.1
217.15884	100.0
235.04922	2.9
235.16933	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21754	0.4
56.96564	10.7
57.03444	0.7
57.07071	0.4
58.06603	2.3
59.07388	1.8
60.04517	0.4
60.36420	0.4
61.02940	2.6
69.03436	1.2
69.23355	2.6
69.23782	1.4
69.76136	0.4
71.05008	0.7
71.95271	0.8
72.96064	0.8
73.02903	0.6
77.65051	0.4
78.36015	0.4
81.03440	0.6
82.01469	0.4
82.99841	0.4
83.04976	0.7
83.54943	0.4
84.04517	0.7
84.08138	0.7
85.01382	0.4
85.02913	2.9
97.02905	1.3
98.97585	5.1
100.99188	0.5
101.00882	2.8
101.06026	0.9
109.02847	0.6
112.99139	100.0
115.02440	2.2
116.98638	1.5
117.02210	0.5
118.08662	94.2
119.01921	2.7
127.03951	0.6
131.00179	71.9
132.10236	0.9
133.03476	3.4
135.03195	0.9
139.04240	0.6
140.04953	0.5
141.03969	0.9
143.01935	1.2
145.01648	0.6
145.03464	2.2
145.04951	0.6
147.05029	0.6
148.06564	1.3
149.01230	20.7
154.01782	2.1
154.02837	0.5
157.01671	0.7
157.03479	1.3
159.05034	2.6
161.02908	1.0
163.02762	1.0
163.04305	0.6
167.02274	0.9
173.01231	0.5
173.02936	0.5
175.02783	7.2
175.04414	0.6
177.04608	0.6
177.06071	2.6
187.04497	0.6
191.02200	0.9
193.03867	16.0
193.05519	0.5
195.07130	1.7
211.04901	7.3
211.06833	0.6
217.05577	0.7
217.09207	0.6
219.07162	0.7
235.04807	29.3
235.06706	3.9
235.10252	1.5
235.16701	2.2
253.05960	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	235.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59369	0.3
55.05514	0.4
55.95801	0.4
56.96571	9.6
62.34110	0.3
70.74133	0.5
70.74454	0.7
71.95264	0.8
72.96050	0.7
73.76598	0.4
82.98106	0.4
84.04494	0.4
85.02908	0.5
97.46452	0.4
98.97585	6.1
100.99182	0.4
101.00895	1.7
103.00715	0.4
104.98728	0.4
112.99145	100.0
116.98635	1.6
117.02127	0.4
119.01955	1.1
121.13479	0.3
127.03912	0.6
128.98587	0.4
131.00183	62.9
133.03493	0.8
143.01921	0.4
145.03488	0.5
149.01245	16.3
154.01726	1.0
156.98048	0.5
157.01733	0.4
167.02254	0.5
173.01303	0.5
174.99133	1.0
175.02805	7.2
177.06076	0.7
187.04582	0.4
191.02293	0.5
193.03874	13.8
211.04919	5.4
235.04868	31.7
235.06688	2.0
235.16962	0.7
253.05971	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	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
51.25663	1.2
53.03938	2.1
55.01871	2.7
55.05519	11.7
56.96548	5.4
57.03434	1.7
57.07064	3.3
58.92375	1.4
60.96243	1.6
62.96177	1.3
65.03956	2.4
67.05508	17.9
69.03429	4.5
69.07076	31.8
69.70222	8.5
70.98126	1.4
71.05001	13.4
73.06539	1.4
79.05500	20.9
80.61921	1.3
81.07063	18.7
83.04961	3.1
83.08637	9.4
85.02895	2.0
85.06541	10.4
91.05488	29.6
93.07043	24.2
95.04958	5.2
95.08614	33.1
97.06530	16.1
98.97591	3.5
103.05444	2.0
105.07040	38.3
107.04967	6.6
107.08605	25.3
109.06522	4.4
109.10158	15.1
111.08099	8.0
112.99090	1.5
117.07034	12.5
117.44695	1.5
119.04926	5.7
119.08589	59.6
121.06542	8.0
121.10149	25.3
122.86773	1.4
123.08046	2.9
123.11748	7.1
125.09618	4.2
128.06192	1.7
129.06995	5.4
130.07791	3.0
131.00175	1.4
131.08568	29.2
133.06462	2.0
133.10139	49.2
135.07986	3.9
135.11705	9.6
137.05998	29.5
137.09608	1.5
143.08559	4.3
144.09346	7.6
145.10135	36.9
147.08022	3.2
147.11697	21.8
149.09610	6.5
149.13255	4.1
151.11226	2.9
155.08612	2.9
157.10133	5.8
158.10921	5.7
159.08119	2.5
159.11714	51.2
161.05981	2.6
161.13257	4.8
162.01782	2.3
163.07610	1.7
163.11165	3.5
163.14771	1.4
171.02357	4.0
171.11697	5.5
172.12473	2.9
173.09633	2.4
173.13275	33.1
174.13965	1.7
175.11250	2.4
175.13493	1.3
175.14799	6.9
177.12709	9.6
177.16422	2.1
182.02103	2.3
185.13249	2.5
187.02692	1.7
187.07616	1.8
187.11151	3.0
187.14821	18.0
189.09084	2.1
189.16393	20.6
191.03455	1.9
191.14308	6.9
197.13318	2.4
215.06981	3.2
215.10651	3.3
215.14346	5.4
215.17957	32.8
216.18532	1.5
233.08051	6.0
233.11670	8.5
233.15471	31.5
233.19005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1749
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
53.03948	4.5
55.01891	5.0
55.05513	29.4
56.96567	5.7
57.03434	7.7
57.07065	4.6
59.97036	2.9
66.14172	2.7
67.05508	35.5
69.03429	11.1
69.07072	27.3
70.21334	6.0
70.21734	4.9
71.05002	17.6
76.92172	2.7
79.05499	39.0
81.07063	76.3
83.04986	21.7
83.08617	16.9
85.02882	5.3
85.06551	22.4
86.09673	3.0
91.05486	46.2
91.48547	2.8
93.07053	40.8
95.04962	13.8
95.08614	100.0
97.06538	34.7
97.10152	9.5
98.97580	8.5
99.04430	4.0
99.08079	8.2
105.06309	3.8
105.07031	71.5
106.12976	2.7
107.04963	14.7
107.08600	24.7
109.06510	11.9
109.10149	9.2
111.04382	2.8
111.08086	7.8
112.99060	3.1
115.05450	5.1
116.06228	2.9
117.07050	16.7
119.04934	12.1
119.08586	62.7
120.08083	4.2
121.06522	20.0
121.10147	23.0
123.08056	13.0
123.11708	3.1
124.51105	2.7
124.85180	2.7
128.06248	3.3
129.06970	9.1
130.07785	7.7
131.08568	28.9
133.06496	6.8
133.10146	39.2
135.04417	4.9
135.08067	6.2
135.11684	20.1
137.02399	3.0
137.06000	8.5
137.09634	6.0
137.13275	18.5
141.06993	7.2
143.08588	9.4
145.06494	11.1
145.10123	66.2
147.08022	4.2
147.11693	16.0
149.09633	5.9
149.13214	5.0
155.08556	4.0
157.10136	5.8
159.08090	10.0
159.11760	27.9
160.64603	3.4
161.06044	4.3
161.09697	3.2
161.13263	83.2
163.11209	25.0
169.10178	8.6
171.11678	6.8
172.08839	4.1
173.09641	52.5
173.13239	8.7
175.11218	3.7
177.09091	6.7
179.14311	54.9
187.07610	4.6
187.11172	39.2
187.14781	11.0
189.09122	3.8
189.12820	4.9
189.16315	3.9
191.03415	20.9
191.10704	3.3
197.09644	7.5
197.13448	5.8
197.15375	32.6
205.12057	3.8
205.15904	4.3
215.10684	28.6
215.14395	14.8
215.18040	15.3
233.08089	15.8
233.11653	31.2
233.15317	50.7
233.18983	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	233.1538
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03927	1.5
55.05511	6.8
56.96556	4.6
57.07065	2.3
59.47566	1.0
60.29050	0.9
60.97801	1.1
67.05507	16.5
69.03416	1.0
69.07079	5.7
70.81235	1.7
70.81577	1.9
73.02892	1.2
79.05067	1.4
79.05495	15.1
81.06602	2.0
81.07063	38.9
83.08617	3.3
86.65168	0.9
91.05486	16.7
93.06496	1.3
93.07053	21.8
95.04948	2.7
95.08614	23.6
97.06533	1.9
98.58804	1.0
103.05461	2.5
105.07034	35.3
107.04944	4.2
107.08604	19.5
109.06528	1.8
109.10188	8.4
111.08040	0.9
117.07040	10.7
119.08585	19.8
121.06500	5.8
121.10149	9.2
123.08067	2.3
123.11702	2.6
125.06031	2.1
129.07021	2.1
130.07860	1.3
131.04926	1.1
131.08569	33.5
133.06482	2.3
133.10143	10.5
134.24771	0.9
135.08054	2.0
135.11694	4.2
137.05960	3.7
139.07533	3.5
143.08583	3.8
145.10139	32.3
147.08014	1.4
147.11700	8.3
149.05960	2.0
149.09630	2.8
149.13292	1.6
151.07552	3.4
155.08546	3.1
157.10098	3.8
159.08043	4.5
159.11696	19.2
161.13252	13.2
163.07515	2.8
165.09169	1.1
169.10130	2.7
172.12386	1.0
173.09599	4.1
173.13182	2.5
175.11191	1.3
177.09108	10.9
182.10884	1.7
187.11226	3.7
187.14825	100.0
189.12691	1.3
189.16420	2.0
191.10666	3.3
191.14326	2.8
197.13237	9.0
205.15889	5.2
215.14314	29.0
233.11577	3.0
233.15372	68.6
233.18828	9.8
233.22600	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	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
50.33482	0.7
53.03671	0.6
53.03938	3.0
55.01861	2.8
55.05517	8.2
56.83017	0.7
57.07061	1.3
65.03921	2.1
67.05508	21.8
69.07069	9.2
69.84061	1.8
69.84478	2.1
71.04980	3.2
73.06533	1.2
79.05497	31.2
81.03411	1.7
81.07058	21.1
83.04967	3.1
83.08605	2.4
85.02900	0.8
85.06534	1.1
88.35267	0.7
88.66043	0.8
91.05484	72.8
93.06483	1.4
93.07050	22.4
95.04944	6.1
95.08606	11.2
97.06535	3.8
97.10139	0.8
100.13239	0.7
103.05463	5.7
105.07035	77.8
107.04961	9.9
107.08591	10.2
109.06551	4.2
109.10166	2.7
113.06012	0.8
115.05446	2.3
117.07025	19.5
119.08587	47.5
121.06529	8.2
121.10136	5.0
123.08057	2.3
129.07022	6.9
131.08571	37.2
133.06500	3.7
133.10123	11.0
135.08054	3.0
137.09639	1.9
141.06998	3.6
142.07809	1.1
143.08562	2.5
145.06450	1.0
145.10118	12.9
146.34633	0.7
147.08038	4.0
147.11664	1.7
149.05843	0.8
149.09630	2.5
151.07553	1.1
155.08537	4.4
157.10178	1.1
159.08104	1.7
159.11690	4.9
161.13208	1.3
167.10721	0.8
168.09280	0.7
169.10136	5.8
171.11710	7.4
173.09630	1.2
173.13274	10.1
177.08902	0.9
187.11168	2.4
187.14832	9.4
189.12607	0.9
191.14362	1.5
197.13258	8.2
200.43106	0.8
205.15944	4.2
215.14355	8.7
228.28543	0.8
233.15367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	Oculatol
Peak:m/z	Relative Intensity
50.18556	0.8
53.03946	1.7
55.01871	2.0
55.05513	4.3
56.96568	0.9
57.03436	1.9
57.07067	3.7
59.05001	3.1
65.03934	1.0
67.05509	8.2
69.03085	1.2
69.03435	15.4
69.07082	4.3
70.86555	0.9
70.86900	1.1
71.01360	1.2
71.05002	4.4
77.03915	1.1
79.05499	22.7
81.03423	1.3
81.07066	9.8
83.04984	3.1
83.08621	4.6
85.02887	1.2
85.06567	5.2
91.05488	16.9
93.07053	12.3
95.04981	23.0
95.08610	6.5
97.06545	4.6
103.05456	1.4
105.07038	19.3
107.04967	23.3
107.08604	15.4
109.02919	1.2
109.06519	5.9
109.10159	5.7
111.04424	1.3
111.08098	2.8
113.06042	3.5
115.05449	1.1
116.06197	1.0
117.07008	6.2
119.04974	1.4
119.08589	84.4
121.06512	6.0
121.10152	19.0
123.04433	0.7
123.08121	3.4
123.11725	3.4
125.09635	1.6
128.06201	1.5
129.07030	3.6
130.07817	1.8
131.08578	19.1
133.06505	6.8
133.07495	1.1
133.10138	14.4
135.08040	3.7
135.11682	2.3
137.06003	2.6
137.09622	7.4
141.07007	1.7
142.07770	3.7
143.08598	3.9
144.09401	1.0
145.06474	1.8
145.10138	26.7
147.08060	28.2
147.11700	10.2
149.06053	0.9
149.09634	13.6
149.13239	2.3
151.07692	0.8
151.11188	1.7
153.09181	1.1
154.07820	0.7
155.08586	3.9
156.09366	3.7
157.10143	10.0
158.10902	2.5
159.08061	5.7
159.11700	6.3
160.08904	1.7
161.09705	1.5
161.13242	4.4
163.11166	6.0
163.14856	1.6
167.08578	3.1
169.10132	2.9
171.11685	6.1
172.12549	1.8
173.09622	6.6
173.13280	13.6
175.11200	14.3
177.09138	2.5
182.10977	4.9
186.10304	0.8
187.11205	2.9
187.14836	11.1
189.12772	8.6
191.03407	2.7
191.10664	0.9
191.14317	29.4
197.13252	8.2
200.12007	1.2
203.14398	0.9
205.15912	2.8
215.10936	1.4
215.14325	21.5
215.17719	1.1
233.08116	2.6
233.11624	2.6
233.15379	100.0
233.23114	4.0
234.15517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03931	1.8
55.05508	2.9
56.96562	1.0
57.07077	2.7
65.03925	0.7
67.05506	3.3
69.03436	5.0
69.07052	1.5
69.33539	0.5
69.33834	4.4
71.04980	1.5
79.05495	35.0
81.03399	0.6
81.07056	4.2
83.04974	1.9
83.08626	3.8
85.02912	1.0
85.06555	3.3
91.05475	6.1
93.07041	7.1
95.04976	5.5
95.08633	3.0
97.06525	1.9
99.08102	0.6
105.04522	1.0
105.07037	10.2
107.04958	40.5
107.08603	9.3
108.78737	0.5
109.06528	2.3
109.10123	1.0
111.08078	3.7
113.05991	2.1
115.05471	0.5
117.07008	4.0
119.08592	12.4
121.06479	1.8
121.10146	5.4
123.08080	1.6
123.11729	0.5
125.09595	1.8
128.06207	0.6
129.07007	2.0
130.07756	1.0
131.00163	0.9
131.08585	11.1
133.06499	0.7
133.10135	8.9
135.08066	3.8
135.11667	0.7
137.09637	5.8
142.07759	2.2
143.08569	2.6
145.06458	0.6
145.10129	14.4
146.10880	1.1
147.08046	13.0
147.10504	0.9
147.11688	15.1
149.09627	7.0
149.13248	2.3
153.09085	0.8
155.08578	0.9
156.09348	1.9
157.10136	6.6
158.10880	1.7
159.08025	1.2
159.11665	0.9
160.08864	1.9
161.09630	0.7
161.13213	0.8
163.11203	4.4
163.14812	0.8
167.08603	0.7
169.10136	0.8
171.11650	2.5
172.12424	0.9
173.09641	1.4
173.13260	10.1
174.10374	0.5
175.11189	22.5
182.10922	1.8
187.11134	0.5
187.14784	3.4
189.12741	8.8
191.14311	45.4
197.13240	2.9
205.15840	0.9
215.07086	0.5
215.14331	10.6
233.15373	100.0
234.15715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03949	1.8
53.52058	0.3
54.33392	0.3
55.01883	0.3
55.05507	2.7
56.96568	3.1
57.07077	0.8
59.04981	0.5
65.03960	0.4
67.05511	2.4
69.03434	2.7
69.07063	1.8
71.04990	1.3
77.03922	0.5
79.05499	35.2
80.05836	0.6
81.07071	2.9
83.04979	1.2
83.08624	4.8
85.02898	0.5
85.06548	0.6
91.05480	3.5
93.07056	4.6
94.07413	0.4
95.04971	3.4
95.08632	2.1
97.06522	1.2
98.20680	0.5
98.97591	0.5
105.04517	1.1
105.07036	5.0
107.04962	41.3
107.08600	6.5
109.06520	1.3
109.10193	0.7
111.04455	0.8
111.08087	3.6
112.99152	0.6
117.07035	0.7
118.06557	0.3
119.08592	4.9
121.06492	1.6
121.10146	5.8
123.04459	0.4
123.08041	1.0
123.11693	0.5
125.09624	2.2
129.06999	1.0
131.00150	0.8
131.08565	4.3
133.06580	0.4
133.10132	4.1
135.08051	1.3
135.11710	0.8
137.09654	0.5
141.06923	0.4
142.07732	0.9
143.08540	0.7
145.05249	0.4
145.06480	0.5
145.10118	2.8
147.08095	0.8
147.11697	6.5
149.01233	0.8
149.09631	5.7
149.13245	2.3
150.10414	0.4
153.09175	0.4
157.10130	2.4
158.10892	1.4
159.08032	0.6
159.11699	0.6
160.08832	1.2
163.11270	0.4
165.43384	0.4
169.10197	0.4
171.11688	0.6
171.85777	0.3
173.09698	0.7
173.13260	4.7
175.08836	0.4
175.11191	7.0
178.96217	0.4
182.10907	0.4
186.95264	0.4
187.14848	1.1
191.14317	50.2
197.13237	0.9
203.10143	1.0
212.10597	0.4
215.14317	1.7
229.07489	2.2
230.07823	1.4
233.15375	100.0
234.15721	0.7
247.08546	1.1
248.08833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.01316	0.4
55.05524	1.1
56.05043	16.7
56.96569	3.7
57.03443	2.9
58.06601	3.3
59.05012	0.6
60.08172	1.1
69.03445	1.0
69.07072	1.2
70.06602	0.7
71.04986	0.5
71.52374	0.5
72.08166	2.7
73.02911	0.6
74.06087	100.0
75.04497	0.6
79.05498	0.8
81.07038	0.6
83.05003	0.5
84.04516	4.5
84.08147	1.1
84.89780	0.4
85.02914	11.6
86.03239	5.1
86.09715	22.2
86.53375	0.5
91.05483	0.7
97.02890	1.2
98.97608	3.7
99.85446	0.4
100.07596	0.6
101.07140	1.7
104.10743	0.7
109.02863	0.6
110.97614	0.8
111.04426	0.9
112.99119	1.3
116.98587	0.5
118.76691	0.5
120.08091	0.5
121.06476	0.5
124.99144	0.6
127.03962	0.6
128.98598	0.6
131.00145	1.2
132.10216	18.8
132.95816	0.9
134.08142	0.9
140.03517	0.5
141.13757	0.5
142.12227	1.2
143.01659	0.4
143.11748	0.5
144.06538	0.4
146.99619	0.7
154.94130	0.6
155.04631	2.8
158.99605	0.7
161.04604	0.6
164.05185	0.9
169.13341	1.8
173.01178	0.4
173.08116	0.8
174.08434	1.0
186.96791	1.0
186.99037	0.7
187.11520	1.9
187.14435	11.7
191.03947	0.5
200.04437	0.5
212.06099	0.7
215.11060	2.0
215.13934	5.8
224.07687	0.6
233.08093	1.0
233.12115	0.9
233.14999	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	232.1698
Annotation	Rotundine A
Peak:m/z	Relative Intensity
55.05502	3.2
56.96568	1.5
57.03424	2.1
60.66763	1.2
67.05512	19.1
69.03435	5.7
69.07056	3.3
69.50011	8.5
70.03765	2.9
70.06581	1.7
79.05486	2.8
81.03425	1.7
81.05831	1.3
81.07053	4.1
82.03743	2.8
83.04974	1.4
83.08614	2.7
84.08138	2.2
85.02904	3.7
86.03249	1.5
86.09663	1.4
87.00816	1.5
91.05491	6.2
93.07056	5.8
94.06580	6.4
94.15298	1.1
95.04956	2.4
95.07340	4.7
95.08624	11.4
96.08133	35.4
97.02904	1.5
98.03213	1.5
98.97590	3.0
105.07041	4.9
107.08607	6.0
107.09222	1.3
108.08120	19.9
109.06509	3.3
109.10165	44.2
110.03234	1.7
110.09704	1.6
116.98631	1.3
117.07022	2.4
119.08579	7.3
120.08120	3.6
121.06483	1.8
121.08896	1.9
121.10137	2.8
122.06030	31.8
122.06985	1.6
122.07295	1.9
122.09657	18.4
123.08092	2.2
124.07600	9.2
128.04295	1.1
131.08566	5.2
132.08122	1.8
133.10103	5.7
134.09665	5.8
136.11237	25.4
137.09627	21.8
138.09125	1.6
143.08525	1.9
145.08879	4.7
145.10124	5.1
146.09669	8.1
147.11713	6.3
148.11205	7.7
156.09331	2.0
157.10133	4.5
158.09628	4.5
158.10844	2.6
159.10443	1.9
159.11671	2.0
160.11238	21.0
161.11974	3.7
162.09160	1.2
162.12758	1.6
162.91246	1.1
171.11714	4.5
172.11212	4.9
173.12001	35.9
173.13297	4.7
174.12773	9.2
175.11215	3.0
175.13516	2.0
176.10748	1.7
176.14301	2.7
177.00792	1.5
182.10931	1.5
186.12822	1.4
187.14841	2.9
188.14351	74.6
189.11308	1.3
190.12271	5.0
190.15936	8.3
199.13585	7.7
204.17403	5.5
214.15958	14.5
215.14352	5.3
232.16982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
51.55927	0.2
57.03443	1.3
58.06632	0.3
59.07380	0.4
60.08165	7.6
70.69837	0.5
71.04990	0.7
84.08121	0.3
85.02907	100.0
87.56673	0.2
89.06017	0.3
144.10214	2.1
155.82179	0.2
173.05882	0.3
173.08105	11.3
232.15445	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	232.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85343	0.4
55.01880	1.2
55.05516	1.3
56.05033	1.3
56.96567	8.3
57.03442	4.4
58.06598	1.8
58.99870	0.6
59.04995	0.6
60.04529	2.1
60.05658	0.5
60.08168	6.7
60.95866	0.4
61.01147	0.4
61.02936	2.2
62.49295	0.4
67.05513	1.1
67.27883	0.4
68.05048	0.9
69.03436	3.4
69.07069	1.8
70.06591	4.5
70.75282	1.3
71.01343	0.4
71.04992	2.3
71.95289	0.6
72.08149	5.9
73.02921	4.6
74.06085	1.1
77.00927	0.5
79.05512	0.8
81.03409	1.2
81.07096	0.5
82.06580	0.7
82.99862	0.9
83.04967	0.9
84.04508	2.2
84.08146	12.9
84.96030	0.6
85.02908	100.0
85.06539	1.0
85.08486	0.5
86.06081	0.5
86.09706	32.7
87.04469	1.2
87.05588	0.5
88.04009	0.7
91.03948	0.5
91.05492	1.3
93.07046	1.2
95.00782	0.4
95.04993	0.8
96.01592	0.6
96.04500	0.6
97.02887	3.9
97.06535	3.5
98.02419	0.4
98.09696	0.9
98.97585	10.0
99.04464	1.1
100.02476	0.8
100.97210	0.6
100.98058	0.5
100.99152	1.3
101.00882	9.1
101.01500	0.7
101.06016	0.7
101.07161	1.0
102.00986	1.5
102.05560	1.3
102.09168	0.4
103.00623	0.4
103.02444	0.6
103.72485	0.4
104.01303	0.6
104.07114	2.1
107.04926	0.4
109.02886	1.1
110.01294	1.7
110.06014	0.4
110.07169	0.5
110.97568	3.9
112.07617	0.8
112.08739	0.4
112.99146	1.2
113.00892	0.8
114.05522	2.7
115.02439	1.1
115.03966	0.5
115.08690	0.9
116.02502	0.7
116.07081	1.4
116.98627	3.8
117.02036	0.6
118.03489	2.2
118.98265	0.6
119.00153	1.1
119.01915	27.6
119.08611	0.5
120.02021	4.2
120.06564	0.6
121.01668	0.8
121.06617	0.5
124.11234	1.5
126.05493	0.6
126.09151	1.6
126.97109	0.6
127.00716	0.5
127.03937	2.5
128.98619	4.3
129.06557	0.6
129.10240	4.4
130.06567	0.6
130.08609	0.5
131.00197	1.3
131.01878	4.2
132.02045	1.8
132.10187	0.4
132.95888	0.6
133.01697	0.5
133.03499	2.9
134.03575	2.2
134.99678	1.4
135.03171	0.4
136.06168	0.7
137.02953	6.0
138.03094	0.9
140.07176	0.4
142.03572	0.7
142.08611	0.9
142.12276	9.0
143.00146	1.0
143.01877	2.4
144.01985	0.8
144.05081	1.1
144.08861	0.4
144.10219	2.8
145.01691	1.2
145.03462	1.6
145.04926	0.5
146.02313	1.4
146.03595	1.8
146.99625	2.3
147.03142	0.8
147.11322	0.5
148.01482	0.6
148.05121	0.6
149.01205	1.8
149.02905	1.2
150.03262	0.5
150.06715	1.7
150.96881	0.9
151.03912	0.4
152.02295	1.4
154.03526	0.9
155.02863	1.0
156.05354	0.6
156.97421	0.9
157.03540	1.0
158.03491	0.8
158.09235	0.6
158.99673	1.9
159.05029	0.7
160.01392	0.6
161.01419	0.7
161.02896	4.6
162.03122	2.1
163.02704	1.0
163.04539	0.8
164.05226	2.4
165.00783	1.4
168.02002	0.8
168.08748	1.7
168.10187	0.5
168.13855	2.0
170.03441	0.6
170.99609	2.0
171.05128	0.5
172.01479	1.0
172.04718	1.3
172.09683	16.8
172.97601	0.6
173.01505	0.4
173.02959	2.1
173.06674	0.7
173.08066	10.4
173.09460	0.5
174.03128	0.7
174.12790	0.6
176.04500	0.6
177.00757	0.9
177.02388	0.6
178.02515	0.6
182.03340	3.5
184.04979	0.7
185.03000	2.5
185.04428	0.4
186.03082	4.8
186.07088	0.8
186.09776	20.4
186.11201	1.0
186.14928	2.1
187.02716	0.6
188.12866	2.2
189.00723	2.9
189.02382	1.0
190.02559	4.0
190.06186	0.6
190.98672	2.3
191.00165	0.5
191.02234	1.5
191.03917	5.5
191.07651	1.0
192.04089	0.8
196.08139	1.0
197.06602	1.5
198.98598	2.4
200.04434	6.5
201.00645	0.7
202.02521	0.6
203.03940	0.8
204.04089	1.1
204.07846	0.8
204.10806	7.1
207.01746	0.8
207.03629	0.4
208.99600	2.8
209.01523	0.6
209.03201	0.9
209.04861	3.8
212.90268	0.4
214.06027	0.8
214.09227	25.8
214.14362	2.1
215.07631	1.8
215.09489	0.5
219.01793	0.7
219.52715	0.4
220.03702	1.3
232.03723	1.3
232.07361	7.3
232.10280	57.8
232.15442	82.7
233.04994	1.0
233.08659	1.2
237.02864	0.5
250.04707	0.7
250.08418	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01868	2.0
55.05515	39.7
56.96564	6.2
57.03438	5.2
57.07074	2.7
59.04999	2.5
60.60735	0.6
61.01138	0.8
61.02927	1.9
65.03941	1.3
67.05508	4.8
68.99798	4.2
69.03434	38.3
69.07058	3.4
70.06593	2.4
71.01355	1.5
71.04993	11.8
71.08627	4.2
71.52570	1.1
72.08163	5.6
73.02893	1.6
79.02861	0.6
79.05500	28.1
81.03428	12.7
81.07061	100.0
83.04987	14.3
83.08626	15.9
84.04542	0.8
84.08139	2.1
84.96034	0.7
85.02910	16.4
85.06549	15.0
86.09702	3.4
87.00838	42.0
87.04467	1.2
91.05487	4.0
93.07054	2.1
95.04961	1.5
95.08628	2.4
97.02901	7.7
97.06554	1.3
97.10197	1.9
98.97587	13.6
99.04462	7.6
99.08103	11.3
101.00894	1.3
101.06022	1.6
105.01884	4.3
105.07057	2.1
107.05040	0.7
107.08607	2.2
109.02885	7.7
109.06525	52.1
109.10134	0.8
110.97591	2.1
111.04440	1.5
111.08097	1.5
112.99145	1.2
115.04035	0.7
116.97962	0.8
116.98647	4.6
117.07005	1.0
117.09143	4.0
119.01836	1.2
119.08601	2.0
121.06552	1.0
124.99098	1.0
127.03937	9.5
127.07563	61.8
128.02368	1.9
128.06235	0.7
128.98619	2.3
129.07016	1.3
130.06566	0.9
131.00186	1.4
131.08592	2.3
133.10170	2.1
134.99677	0.9
135.11755	1.2
143.00212	2.0
143.08611	0.7
145.04930	1.5
145.08614	18.3
145.10168	1.4
146.99686	1.6
147.04431	2.3
147.08054	1.7
149.01268	1.0
157.10143	1.2
158.09642	4.0
158.99690	3.1
161.01244	1.1
161.09720	0.8
168.05180	2.0
168.08113	1.1
170.99663	0.8
171.11678	0.9
173.01256	1.4
173.09666	1.1
173.13008	0.7
177.00777	2.4
184.97536	0.8
185.02986	1.2
185.09666	1.3
185.13139	0.9
188.07121	2.2
189.00717	1.5
189.09245	0.9
191.02295	1.4
198.55270	0.8
200.06781	1.2
201.00742	1.0
203.09007	1.3
203.10774	0.8
206.01674	0.9
208.04807	1.2
209.07480	2.1
210.04700	1.5
210.06544	1.7
211.83298	0.7
213.04105	0.9
213.09221	2.1
214.08633	1.2
214.22083	0.7
219.01791	1.2
222.08261	1.1
230.06630	0.7
230.13094	0.9
231.03003	1.0
231.06621	1.9
231.08412	10.0
231.10364	2.4
231.13910	3.0
231.17421	1.8
244.99800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01870	1.5
55.05503	3.4
56.05019	3.6
56.96310	1.8
56.96569	31.4
57.03440	2.1
58.76161	0.9
60.04539	1.1
62.54937	1.0
67.05505	1.8
69.03437	13.9
69.07052	2.0
70.06589	8.6
71.04979	3.3
71.53015	1.3
71.95251	3.3
72.08155	11.6
73.02911	1.9
74.06074	2.7
74.66684	1.0
78.00241	1.3
79.05492	2.2
81.03431	6.7
81.07065	2.5
82.06586	1.4
83.04996	2.6
84.04509	11.9
84.08150	26.2
85.02914	11.2
85.06545	1.4
86.09712	16.2
87.00816	1.7
87.04472	1.4
88.03982	2.6
91.05476	1.7
97.02914	4.9
97.06561	1.4
97.96804	2.4
97.99146	1.2
98.06073	1.3
98.97591	100.0
99.04445	2.0
102.05550	3.1
102.09208	1.6
105.07026	1.2
109.02865	3.0
109.06523	1.2
110.06086	1.2
111.04442	1.6
112.07642	2.1
112.08740	1.5
112.99142	1.8
115.00681	4.6
116.07094	1.8
116.98627	59.9
119.01900	3.5
120.08120	1.7
121.02871	8.4
121.06437	1.1
121.10242	1.2
124.07542	1.3
126.09142	2.9
127.00696	25.0
127.03899	4.4
128.07062	2.9
128.98558	1.7
129.10268	9.4
130.06531	6.2
130.08623	2.7
131.00200	2.7
132.08109	1.7
133.01730	2.4
133.03419	1.9
134.99655	24.1
140.00253	1.5
140.07040	1.4
140.98624	2.0
141.10233	1.2
143.00117	2.4
145.01735	74.9
147.11275	1.2
149.01225	1.3
153.00719	2.4
157.07640	9.7
158.01291	1.5
158.99614	3.7
159.03156	1.3
161.01221	3.3
163.02792	76.7
168.03218	2.0
170.08128	3.4
171.03291	1.5
172.09683	3.2
173.09328	1.2
177.00713	2.1
179.03419	1.2
181.03860	9.8
185.02950	4.6
185.07086	2.6
185.13113	1.5
186.04323	3.2
186.99139	4.2
187.02786	48.9
187.10760	7.0
189.00681	4.1
189.02290	1.6
189.04347	2.8
191.03925	1.4
199.02715	1.6
203.08206	1.3
205.00392	2.4
205.03856	82.8
207.01756	2.3
214.10759	1.6
223.04895	5.8
228.05460	3.7
230.97972	2.9
231.05373	1.0
231.07718	10.3
231.11682	1.3
231.13712	4.0
231.17181	1.8
248.99197	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	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	14.8
55.01871	3.5
55.05512	2.8
57.03448	4.8
59.05011	0.7
60.27980	0.7
61.02929	2.0
67.05502	2.0
68.99796	3.1
69.03433	100.0
69.07083	1.6
71.04998	14.2
71.54488	0.7
72.05376	0.8
78.79858	0.7
79.05502	2.8
81.03422	48.3
81.07070	3.2
83.01344	1.0
83.04999	1.8
85.02912	50.1
87.00833	25.3
91.05468	3.9
91.48952	0.7
91.54254	0.7
93.07044	4.1
95.04975	2.7
95.08620	2.2
97.02901	18.6
97.06596	1.1
98.97572	1.1
99.04459	28.4
105.01869	3.8
105.07036	7.4
107.04995	1.2
107.08601	1.8
109.02886	24.2
109.06546	1.4
109.10187	2.4
111.04456	1.5
117.07048	1.1
119.08587	3.4
121.06534	0.7
121.10165	2.0
127.03922	34.7
128.06268	1.1
129.07048	2.0
131.08591	1.8
133.06566	0.8
133.10141	3.4
135.08118	1.1
135.11699	1.6
141.07085	1.3
142.07823	1.6
143.08545	4.3
145.04933	4.3
145.10165	4.0
147.08116	0.9
147.11703	1.1
148.30296	0.9
148.43005	0.7
156.09349	1.1
157.10133	5.6
159.11749	2.9
161.06012	1.1
161.13396	0.8
167.08585	1.4
171.08000	1.0
171.11644	3.4
173.13353	1.3
175.07626	1.1
175.11163	1.2
183.11745	1.8
185.09673	2.1
185.13341	2.1
186.05765	0.8
187.14893	1.5
189.05600	1.2
195.08185	1.0
195.11774	1.3
203.10693	0.8
213.03929	5.1
213.09232	1.9
213.12807	3.0
213.16484	2.8
231.02875	1.4
231.04875	9.6
231.10339	3.6
231.13808	5.3
231.17390	6.7
252.54312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56054	11.0
56.96560	41.7
59.84096	10.5
69.82397	58.9
70.06583	67.3
78.88070	11.1
83.04961	18.6
84.04515	27.2
84.08154	74.6
84.99526	11.5
85.02901	20.3
86.09711	47.4
97.02881	14.0
98.97598	18.3
101.00903	52.4
102.05560	13.6
103.00648	54.7
115.02437	31.4
116.07087	41.3
119.01922	60.7
121.01674	79.8
129.10242	27.7
131.01910	22.1
133.03487	43.7
135.03191	19.9
137.03024	10.9
143.01961	32.2
145.03465	22.0
149.56691	14.0
159.05002	16.5
161.02974	24.5
162.55643	20.0
163.04466	15.1
167.01982	15.9
170.99553	19.2
171.01361	25.0
171.07684	12.2
173.02969	24.2
184.57489	12.5
185.02968	48.7
186.23640	10.8
186.99142	22.3
189.00830	15.7
189.02490	37.8
196.06033	26.8
206.24750	12.2
208.04652	25.2
213.08788	16.5
217.00044	24.8
231.03458	21.8
231.07135	100.0
231.10487	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96102	0.8
55.01857	2.0
55.05504	2.1
56.05031	1.7
56.96566	16.8
57.03426	2.1
58.06593	0.8
58.99862	1.9
60.04525	1.4
61.02913	1.0
61.37955	0.8
67.05510	1.3
68.69263	0.7
68.98280	1.9
69.03447	3.9
69.07067	1.4
69.61141	3.6
69.98423	0.8
70.06584	8.8
70.99847	1.6
71.04974	1.1
72.08164	10.4
73.02908	1.8
74.06069	0.9
81.03407	2.4
82.06566	1.0
82.99818	5.6
83.04966	1.8
83.71555	0.8
84.04507	3.8
84.08149	20.0
84.96038	1.6
85.01417	8.5
85.02907	5.5
85.06533	1.9
85.08470	1.2
85.19778	0.8
86.09713	8.8
86.99303	1.3
87.64681	0.8
88.03990	2.0
89.03927	1.8
91.02441	1.4
95.04973	1.6
97.02335	1.2
97.02893	2.7
98.97585	12.4
99.04461	0.9
101.00881	39.3
102.00995	1.0
102.05563	1.5
103.00594	1.2
103.02449	18.0
104.10736	1.1
105.00401	1.0
106.02850	1.1
109.02844	0.9
110.97571	2.8
111.04452	0.9
112.07588	1.6
112.99132	4.1
113.00866	4.1
115.02428	7.5
115.08634	1.2
116.07098	1.0
116.98634	7.8
117.03344	1.3
117.04012	10.9
119.01923	67.1
121.01633	3.3
121.03537	5.2
124.42963	0.8
125.53965	0.8
127.00741	1.0
127.02470	4.3
127.03979	1.0
128.98640	1.4
129.00339	7.0
129.03983	1.9
129.10242	7.6
130.08669	2.0
131.00230	4.2
131.01904	12.4
131.05530	1.1
133.03465	23.0
134.99681	2.0
135.04265	2.3
135.05042	4.7
137.02963	11.3
138.02620	1.1
139.02444	1.1
140.04060	0.9
140.98575	2.2
141.04039	1.2
142.03470	1.6
142.08745	1.2
142.54120	1.4
143.00159	2.1
143.01930	5.1
144.98146	0.9
145.01639	1.8
145.03482	49.4
146.03435	1.1
146.99605	1.3
147.01385	24.0
147.05031	1.9
147.11279	1.9
149.01114	1.8
149.02930	3.9
149.06613	1.7
149.54893	1.8
151.04535	3.2
153.03990	1.1
155.01907	3.9
156.04042	1.1
156.05362	1.9
156.55568	1.4
157.03523	4.3
158.99696	4.0
159.01382	1.6
159.04985	5.2
161.01257	2.5
161.02960	22.4
161.04321	1.1
163.04448	15.7
163.40115	0.8
164.04216	4.1
165.02443	4.5
167.01831	3.8
168.05087	1.1
169.03453	2.1
170.99898	1.9
171.01376	23.1
171.05014	3.2
173.01678	1.0
173.02957	6.3
173.10089	1.1
175.04489	1.6
175.11978	1.0
177.00748	2.1
177.02412	1.8
177.04272	0.8
177.06099	2.2
179.04015	3.5
182.03723	0.9
183.03540	1.3
183.05013	4.7
185.02960	31.2
185.06458	4.4
186.99170	3.4
187.03014	1.2
187.04465	4.8
187.10828	2.2
189.02448	100.0
189.05908	3.8
190.03584	1.4
191.03961	2.5
195.07216	1.0
199.00880	1.1
201.02486	1.7
201.06117	2.2
203.04024	7.2
203.07719	2.6
205.00256	4.1
205.03828	1.8
205.05586	1.3
207.01779	1.1
207.03505	18.7
207.05315	1.7
208.04567	14.8
212.04025	2.7
212.97168	1.0
213.00414	1.2
213.02495	2.2
213.06035	2.1
216.04207	2.6
217.03868	1.8
219.03490	3.7
223.01251	0.9
226.05554	1.3
230.98235	3.1
231.03517	50.4
231.07083	36.1
232.15245	1.2
233.05147	3.1
234.05196	4.1
235.04877	2.7
248.99188	4.2
249.04543	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	230.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55652	0.3
53.03921	0.3
53.86161	0.4
55.01880	0.5
56.05048	0.5
56.96565	25.1
57.03427	0.7
57.47604	0.3
57.97334	0.3
58.06591	0.5
59.99258	0.3
60.08155	1.3
61.02945	0.7
69.03418	1.1
70.06602	2.1
70.22363	1.4
71.04992	1.0
71.95266	2.4
72.04516	2.3
72.08136	1.0
72.96047	1.3
73.02912	0.8
74.97621	0.4
81.03433	0.6
83.97630	1.3
84.01183	0.3
84.04494	1.2
84.08145	2.4
84.96052	0.7
85.02895	2.0
86.09708	3.9
95.04935	0.9
97.02353	0.4
97.02912	1.7
97.99185	0.4
98.97585	100.0
99.04433	0.6
101.00858	1.4
102.00953	1.8
107.04888	0.4
110.97538	0.6
112.11078	0.3
112.99107	0.5
115.00713	0.5
115.02437	0.7
116.00230	2.5
116.98621	45.2
119.01895	2.3
120.01962	2.8
121.01618	0.3
123.04468	0.4
124.00671	0.4
124.43860	0.3
126.02287	0.8
127.03950	0.7
128.98656	0.5
129.10220	0.6
131.00146	0.6
132.02017	0.3
133.01698	0.5
133.03476	0.8
134.01286	1.0
134.03554	0.6
134.99657	9.8
135.03256	0.5
139.56154	0.6
140.00175	1.0
140.03835	1.6
142.05411	2.1
142.08698	0.6
143.00159	0.4
143.08987	1.3
145.03577	0.5
146.99544	0.4
148.06561	0.8
148.56728	1.3
149.06509	1.3
152.07062	0.5
153.00748	0.7
158.01262	0.5
158.03728	0.5
158.04855	1.8
159.04987	0.4
159.11234	0.5
160.05232	0.7
160.06488	2.6
161.04874	0.4
161.55673	0.8
162.03162	0.4
162.05466	0.8
163.03934	1.2
170.00023	0.9
170.04897	1.5
170.56285	0.5
171.03320	2.9
172.09726	1.5
184.04535	0.4
184.10869	0.6
188.01048	1.0
188.05934	2.3
189.00764	0.6
189.04376	8.6
194.08144	0.7
198.00735	0.8
202.07495	0.6
206.07027	7.1
207.05414	4.3
212.05984	0.7
212.07585	0.5
212.09250	0.9
215.04060	0.8
216.00603	1.1
224.08083	6.3
224.10231	0.4
230.07040	14.0
230.10289	7.1
230.13945	0.4
230.15807	7.0
230.18321	0.6
231.05365	1.7
231.07344	0.5
248.08073	20.0
249.06371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
55.01863	2.6
55.05516	43.4
56.96556	2.8
57.03445	12.3
57.07077	5.3
59.05008	9.7
65.03934	1.6
67.05508	76.1
69.03432	10.3
69.07071	16.1
70.06588	1.6
71.01324	1.0
71.04996	9.3
71.19272	1.3
73.06560	1.3
74.66322	1.1
79.05515	7.0
81.03416	3.8
81.07066	24.1
83.04987	49.4
83.08154	1.8
83.08627	27.7
83.56171	0.9
85.02892	3.0
85.06556	20.4
87.04479	2.9
89.06021	1.1
91.05496	9.3
93.07052	15.8
95.04986	5.7
95.08616	16.2
97.06522	3.1
97.10162	4.1
98.97606	2.6
99.00783	1.9
99.08099	10.6
100.37671	1.0
101.06007	7.8
105.07047	6.4
107.08607	21.1
108.32156	1.0
109.06522	2.2
109.10164	100.0
109.66370	1.0
111.04446	3.1
111.08096	8.2
111.11750	1.7
113.06008	2.0
113.09647	2.0
115.05447	1.4
116.98621	1.2
117.07036	3.1
119.01937	4.2
119.08593	14.2
121.06495	1.6
121.10155	7.3
123.08105	2.1
123.11716	23.9
125.09631	10.6
127.11202	18.1
129.07005	1.5
130.07813	1.2
131.08582	3.1
133.10143	8.3
135.08119	1.7
135.11703	17.1
137.09587	6.4
141.06981	1.8
143.08559	3.4
145.06517	2.4
145.10152	6.9
146.91841	2.4
147.11674	4.4
149.13261	8.7
151.11179	8.9
151.14853	1.8
153.12759	8.1
155.08636	2.5
155.10655	6.3
157.10135	2.6
159.11697	2.7
161.09637	2.7
165.16451	1.2
167.08649	1.1
167.12886	1.1
167.14314	22.6
169.10146	1.5
169.10750	1.7
169.12251	28.7
171.11729	1.3
171.13866	2.0
173.09666	0.9
173.10164	1.5
173.11749	19.6
173.13210	1.9
175.11241	1.4
175.14824	8.4
177.00688	1.0
183.08083	1.1
183.11702	1.7
185.13292	1.6
185.15375	7.9
187.11256	1.8
187.14803	1.7
190.49080	1.2
193.12270	1.5
193.15865	14.2
193.17471	1.5
201.12778	1.6
211.11186	1.4
211.15199	2.0
211.16939	57.9
229.08598	3.1
229.12224	10.7
229.14369	22.7
229.16162	1.2
229.18011	8.8
229.19627	6.2
229.23323	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01875	1.6
55.05516	27.2
56.96565	5.5
57.03155	1.1
57.03440	18.9
57.07067	2.8
59.05006	4.2
65.03921	1.5
67.05510	100.0
69.03439	12.1
69.07072	12.1
70.06576	1.1
70.12227	2.7
70.27873	0.7
70.51773	0.8
71.04664	0.8
71.05000	9.1
79.05497	12.4
81.03387	2.6
81.07062	50.1
82.07362	1.2
83.04989	32.0
83.08173	0.8
83.08627	14.6
85.02896	1.7
85.06549	9.4
91.05481	14.7
93.06504	0.8
93.07052	14.4
93.63836	0.8
95.04958	2.6
95.08614	47.8
97.06542	10.4
97.10155	2.8
98.97557	1.6
99.00798	2.0
99.08096	5.3
101.05983	3.2
105.07037	12.5
107.08608	7.0
109.06487	2.2
109.10164	73.1
111.04448	3.8
111.08079	6.3
113.09608	1.9
115.07538	1.8
116.98579	0.9
117.06990	1.9
119.01910	1.2
119.08590	23.0
121.06509	0.8
121.10157	6.1
123.08038	2.6
123.11660	0.9
127.07539	0.9
129.05476	2.1
131.00078	0.9
131.08511	3.3
133.10147	12.1
135.08002	0.8
135.11697	6.2
137.09624	5.5
137.13286	5.6
143.08492	1.3
145.01604	1.6
145.10069	2.1
146.91817	1.8
147.11688	1.9
149.01198	1.3
151.14792	1.6
155.08536	1.9
155.10658	5.5
157.10083	1.4
159.11682	2.3
161.13272	36.2
163.02666	1.6
165.12759	1.0
169.10104	1.5
171.11551	0.8
173.09549	1.6
173.10127	1.1
173.11755	23.0
175.11136	0.9
176.09567	1.9
179.14328	21.9
183.07936	0.9
185.09918	0.8
194.10652	1.0
197.15376	5.6
201.12611	0.9
201.16272	1.0
211.13145	1.1
211.14958	1.0
211.16885	1.5
229.08568	1.5
229.12428	2.2
229.14297	32.9
229.19505	2.4
229.23599	8.4
247.08589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
52.31625	0.3
55.01864	0.8
55.05502	0.7
56.96351	0.2
56.96567	2.6
57.03435	0.7
58.06599	5.2
59.07376	0.9
60.07884	0.4
60.08164	5.8
61.02910	0.7
67.05495	0.3
68.05030	0.8
68.97495	0.2
69.03415	1.0
69.37015	1.5
69.37419	0.6
70.06593	29.3
70.98095	0.6
71.04971	0.5
72.08167	1.2
73.02901	1.0
81.03409	0.7
82.99837	0.6
84.04484	0.6
84.08129	0.8
85.02908	2.0
86.09697	0.5
87.04445	0.3
96.08127	1.1
97.02318	0.3
97.02886	1.8
98.06034	0.7
98.21626	0.3
98.97584	3.9
99.04462	0.4
101.00275	0.4
101.00882	4.9
103.00636	0.3
109.02979	0.4
112.99148	0.6
113.00856	0.5
114.05545	3.2
114.09213	1.4
115.02421	0.6
116.07105	1.1
116.98635	1.5
119.01917	7.3
119.04457	0.3
124.07593	2.6
126.02428	0.3
126.09120	0.6
126.98740	0.3
127.03940	0.8
128.98633	0.3
131.00214	0.4
131.01872	1.1
133.03465	2.0
137.02904	0.9
139.04239	0.4
140.03876	0.5
142.08633	28.1
143.01932	0.6
144.99831	0.5
145.01552	0.4
145.03447	0.8
148.03807	0.6
148.04770	0.6
148.06557	0.7
157.03503	0.3
158.21138	0.3
158.99380	0.3
159.03253	0.7
160.56755	0.3
161.02945	0.7
161.05618	0.4
168.95758	0.5
168.99812	1.2
170.05130	1.1
170.08191	1.4
172.99220	0.3
173.02943	0.4
175.04491	0.9
177.02423	0.4
177.04338	0.5
184.03139	0.3
184.04614	0.4
185.02982	0.3
185.04752	0.3
186.96736	0.4
186.99239	0.5
187.00902	2.0
187.02638	0.6
187.04524	0.7
188.05905	0.4
191.03986	0.3
196.99286	0.7
197.00960	0.4
205.00182	0.6
205.01984	0.5
206.06944	0.9
215.00330	2.0
224.08035	0.8
229.15474	100.0
230.15776	0.7
247.04785	0.4
248.08147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03934	0.5
55.05514	5.5
56.41376	0.4
56.96555	1.2
57.03434	3.3
57.07072	2.5
58.14281	0.4
59.04991	0.8
65.03920	0.4
67.05508	20.3
68.05840	0.4
68.99774	0.5
69.03419	2.3
69.07069	12.4
70.06608	0.6
71.04986	3.5
75.04496	0.7
79.05494	1.3
81.03415	1.3
81.07057	6.6
83.04990	7.5
83.08627	2.7
85.02899	0.9
85.06548	1.7
85.75352	0.4
91.05478	2.5
93.07047	3.8
95.04969	5.6
95.08611	7.4
97.06544	0.6
97.10180	0.6
98.21550	1.0
98.97588	2.3
99.00813	0.7
99.08101	0.8
101.00881	0.9
101.06007	0.9
101.93970	0.5
105.07037	2.8
106.68781	0.4
107.08640	2.2
109.06528	0.9
109.10160	100.0
110.10508	0.6
111.04440	1.1
111.08095	1.1
112.99148	0.6
116.98679	0.8
117.07009	0.7
119.01966	2.0
119.08589	6.1
121.06504	1.8
121.10123	1.2
123.11708	11.2
127.11194	36.7
128.06325	0.5
129.07013	0.9
131.08554	1.7
133.10133	6.2
135.08095	0.5
135.11697	1.4
137.09613	8.5
139.07558	1.3
139.11295	0.4
141.06955	0.8
143.08562	1.4
145.10121	2.0
146.91878	0.7
147.11720	1.3
151.11183	2.5
155.08659	0.8
155.10669	7.2
157.10127	0.8
159.08133	0.6
159.11746	0.7
161.09654	6.2
167.08423	0.5
167.14365	1.2
169.10123	0.5
169.12262	2.1
171.11638	0.6
173.01274	0.8
173.09593	0.9
173.10115	0.6
173.11757	9.9
173.13135	0.6
177.00717	0.5
179.10686	12.8
183.13818	0.9
185.09714	0.4
185.13216	0.7
185.15431	0.5
187.00848	0.5
187.14798	0.5
191.02449	0.6
193.12260	1.5
193.15945	0.5
197.11729	12.0
197.13455	0.7
201.16328	0.5
211.13251	4.4
211.15001	0.8
211.16843	2.6
229.08597	1.1
229.12279	1.2
229.13979	4.2
229.16008	2.3
229.19672	1.5
229.23485	0.8
244.99684	0.7
247.12154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01879	5.2
55.05511	31.8
55.06963	0.9
57.03442	8.2
57.07074	12.0
59.04995	2.5
65.03947	1.0
67.05502	30.4
69.03429	21.6
69.07065	5.8
71.01354	2.1
71.04984	3.3
71.54811	1.4
73.06548	3.0
79.05492	8.1
81.03410	4.8
81.07056	23.8
83.04982	100.0
83.08615	1.4
85.02895	4.6
85.06540	7.3
91.05489	20.0
93.07050	11.1
95.04959	2.5
95.08590	3.2
96.08894	1.0
97.02893	1.4
97.06506	1.8
101.06024	7.9
105.06393	1.9
105.07036	23.1
107.08595	20.4
109.06517	3.3
109.10158	41.1
111.03719	1.8
111.04440	24.1
113.06033	1.0
119.08584	4.0
123.11707	10.0
127.03928	2.0
127.07560	2.0
129.05498	7.2
131.08551	3.0
133.10136	63.4
143.08485	1.1
145.10088	3.4
146.91849	1.4
151.11188	55.9
159.11678	3.1
161.09625	2.2
169.12329	1.1
173.11790	1.6
179.10689	6.8
183.13797	10.9
185.08070	2.2
211.14900	1.8
229.10567	7.4
229.14102	2.4
229.15891	4.2
229.19501	6.5
229.23409	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	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03939	1.8
54.94058	1.5
54.97676	1.2
55.01884	2.2
55.05516	17.2
56.96565	3.1
57.03440	20.2
57.07077	3.5
59.04996	5.0
64.15862	1.3
66.72021	1.2
67.05511	100.0
69.03421	4.3
69.07080	8.7
70.06583	1.6
70.11928	5.3
71.04980	7.2
74.38529	1.4
79.05504	7.5
81.03426	17.9
81.07068	27.5
83.04988	10.2
83.08620	16.2
85.02937	6.0
85.06550	5.2
88.76308	1.4
90.29471	1.2
91.05475	16.4
93.07059	10.8
95.04983	7.7
95.08618	9.4
97.06529	2.6
97.10181	2.4
98.97586	5.5
99.00821	1.8
99.08100	1.8
101.00882	2.6
101.06063	1.6
105.07050	6.1
107.04973	1.8
107.08591	5.2
109.06546	2.2
109.10167	88.9
109.84015	1.4
111.04445	2.0
111.08092	8.2
116.98616	2.4
117.07050	1.8
119.01927	3.3
119.08621	11.5
121.06521	2.8
121.10150	5.1
125.09667	1.8
129.07013	4.3
131.08606	7.3
133.10146	5.1
135.08080	2.1
137.09622	5.5
143.08528	3.7
145.06494	5.1
145.10104	5.6
147.08072	2.4
147.11699	7.5
153.06987	1.7
155.08578	3.0
155.10675	5.9
157.10130	5.5
158.99689	2.7
159.08090	2.0
159.11751	2.9
161.09647	2.0
165.12813	2.4
168.09325	1.4
169.10130	2.8
173.05852	1.5
173.09555	1.6
173.11766	28.7
173.13193	2.2
175.11258	4.4
179.43230	1.2
183.11707	1.9
185.09691	1.5
185.13289	1.6
187.00961	1.6
193.12267	21.9
208.08394	1.7
211.11382	1.5
211.13254	25.6
211.14653	1.9
211.16695	1.8
217.58350	1.6
229.04929	2.0
229.08614	3.8
229.12245	13.8
229.14369	35.6
229.19363	6.2
244.99864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01864	1.4
55.05516	10.4
56.96563	1.6
57.03443	19.7
57.07076	2.1
59.05002	4.7
61.60537	0.7
65.03946	2.0
67.05511	100.0
69.03435	1.6
69.07073	9.7
70.06580	1.0
70.63875	1.7
71.05002	4.8
76.50390	0.7
79.05504	2.8
81.07063	19.1
81.26035	0.8
83.04970	1.9
83.08616	6.3
85.06541	3.8
91.05492	7.5
93.07063	8.0
95.04978	2.3
95.08620	9.7
97.02899	0.7
97.06535	3.3
98.97602	4.1
99.00831	0.7
99.08097	0.8
103.03918	1.0
105.07050	2.9
105.94170	0.7
107.08585	4.5
109.06522	1.1
109.10168	92.2
110.10497	1.2
111.08092	9.2
113.06042	1.2
117.07033	1.0
119.01939	1.7
119.08598	7.8
121.10176	1.1
123.08035	0.9
123.11707	3.5
127.11227	0.9
129.07011	0.8
131.08548	1.2
133.10150	2.0
135.08032	1.1
137.09618	4.7
147.11673	1.8
151.11203	2.3
155.10703	8.9
157.10028	0.9
158.99687	1.1
165.12798	0.9
169.12256	10.8
173.06091	0.9
173.11755	26.4
173.13148	1.1
177.00723	0.7
183.11636	0.7
193.12276	2.0
201.12712	0.7
211.11417	1.1
211.13184	3.5
225.22694	0.7
229.14349	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	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.7
55.01868	0.8
55.05517	37.8
56.96569	2.0
57.03441	11.4
57.07072	2.3
59.05008	3.3
65.03934	1.1
67.05511	50.4
69.03436	35.2
69.07066	2.7
70.88271	1.5
71.01350	2.5
71.05000	4.2
71.70392	0.6
79.05501	2.9
81.03424	1.2
81.07064	11.1
83.04987	100.0
83.08648	3.6
85.02905	3.2
85.06542	2.5
91.05502	5.0
93.07056	3.2
95.04990	1.5
95.08622	6.3
96.08969	0.7
97.06564	1.1
98.97507	0.7
99.00844	1.5
99.08100	1.2
101.06027	5.9
105.07053	1.9
107.08607	3.1
109.06573	1.3
109.10167	44.7
111.04466	10.0
111.08108	2.8
117.07041	1.3
118.87961	0.6
119.01966	1.0
119.08595	5.4
121.06561	0.7
121.10178	1.5
123.11676	0.8
129.05505	5.7
131.08620	1.9
133.10158	1.1
137.09639	1.7
145.10139	2.0
146.91888	2.9
147.11713	1.0
151.11189	1.4
155.08653	0.8
155.10701	2.4
159.11642	0.9
164.92920	1.1
169.10162	0.9
173.09633	1.8
173.11752	15.0
173.13156	0.9
176.15216	0.7
187.11336	0.8
187.14854	0.9
193.12288	1.6
211.13225	1.5
229.08630	1.4
229.10663	2.8
229.14232	19.5
229.19598	2.0
229.23494	3.4
230.24550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
53.11736	0.4
55.01884	0.8
55.05518	40.6
56.96569	3.0
57.03444	11.5
57.03713	0.8
57.07086	1.5
59.05013	3.8
63.50822	0.4
65.03946	0.7
67.05511	55.2
69.03438	34.3
69.07080	4.2
70.06607	0.7
71.01364	3.5
71.05000	4.9
73.06570	1.0
79.05499	2.7
81.03433	1.5
81.07065	11.0
83.04990	100.0
83.08628	4.7
85.02912	2.8
85.06541	2.2
87.04501	0.5
88.31182	0.4
91.05491	6.3
93.07050	3.7
95.04979	1.4
95.08618	6.7
97.02895	0.5
97.06526	1.5
97.10169	0.6
98.97610	1.1
99.00828	0.6
99.08092	0.8
101.06016	6.5
105.07041	2.7
107.08614	2.9
109.06538	0.8
109.10169	46.3
111.04452	10.3
111.08097	2.5
116.98656	0.8
117.07020	1.4
119.01913	0.8
119.03465	0.4
119.08581	6.0
121.10106	1.6
123.08084	0.6
127.11244	0.5
129.05496	5.7
129.06975	0.6
131.00134	0.5
131.08592	2.2
133.10170	2.2
135.11655	0.9
137.09615	3.1
142.07841	0.6
143.08525	1.3
145.01860	0.6
145.10132	2.7
146.91800	1.0
147.07970	0.5
147.11679	1.3
149.01215	0.7
155.08554	0.9
155.10646	3.5
156.09335	0.7
157.10069	1.0
159.07971	0.5
159.11658	1.5
161.13252	2.4
164.92790	0.6
167.00676	0.4
169.10086	1.0
171.11726	0.9
173.09560	1.1
173.11760	16.0
173.13144	0.9
176.09508	0.9
179.14253	1.3
181.10199	0.6
185.13205	0.5
187.11176	0.5
187.14828	0.7
193.12212	1.8
201.16409	0.7
211.13211	1.7
211.14896	1.1
229.05087	0.5
229.10516	2.3
229.14247	24.0
229.19421	1.8
229.23553	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	229.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
57.03433	2.5
58.06598	3.7
58.24303	1.2
60.08160	5.0
61.02937	2.6
69.03429	2.7
70.06599	29.6
70.95850	1.5
70.96179	2.6
72.08150	2.2
73.02933	1.8
84.08170	1.8
85.02927	11.0
86.09692	2.4
97.02892	6.7
99.04459	1.8
101.00901	8.5
101.03463	3.6
110.03963	5.1
114.05543	3.0
114.09158	2.3
115.02424	5.8
115.05004	1.9
116.07100	2.8
119.01952	11.3
119.04514	2.6
124.07596	3.2
127.03926	4.0
133.03484	10.5
139.06015	3.5
142.08644	29.1
143.01909	1.8
145.03522	2.5
145.04997	1.6
148.04764	2.3
148.06578	22.1
152.04924	1.6
159.04977	3.0
161.02902	2.3
161.05560	8.3
170.06079	5.1
171.05074	1.8
175.04485	1.6
177.06174	1.7
187.00879	2.1
195.07179	3.0
215.00415	2.3
219.07120	5.6
229.15498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01854	3.6
55.05273	1.4
55.05516	20.9
56.96552	4.7
57.03438	14.1
57.07077	3.5
60.43056	1.3
65.03912	1.5
67.05507	76.2
69.03422	1.3
69.07070	24.9
71.04997	8.6
71.54799	2.0
73.02892	1.9
74.37181	1.2
79.05494	41.9
81.03391	2.7
81.07059	100.0
83.04983	14.2
83.08620	17.4
85.02897	2.3
85.06559	8.2
91.05486	23.3
93.07047	71.3
95.04950	6.0
95.08611	27.8
97.06540	20.6
97.10163	4.9
98.21233	1.5
99.04422	1.8
99.08076	5.5
100.11259	16.2
103.82751	1.5
105.07020	10.7
107.04958	2.2
107.08598	33.9
109.06525	3.2
109.10131	5.7
111.07513	1.1
111.08100	11.7
113.09609	1.7
117.03939	1.2
117.07027	12.0
119.08558	5.1
121.06495	3.4
121.10146	23.6
121.11983	1.4
123.11691	3.7
125.09591	3.4
129.06998	1.4
131.08562	12.6
133.10121	16.6
135.08025	3.1
135.11708	22.3
136.33331	1.4
139.07527	1.7
139.11153	2.2
143.08516	1.8
145.10120	4.6
147.11671	2.8
149.09584	4.3
149.13263	66.7
151.11215	2.7
157.10109	1.8
159.11697	31.3
163.11171	4.0
165.61008	1.2
167.14316	1.5
171.11700	1.7
174.08022	2.0
177.12744	14.8
183.11702	1.8
185.13312	1.5
186.92030	1.3
191.10565	2.9
191.80879	1.4
195.13835	26.6
209.11684	2.1
209.16570	2.1
213.14835	2.0
227.06400	9.3
227.10651	2.4
227.12749	4.8
227.14610	1.8
227.17902	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.09798	1.6
53.03935	4.0
55.01865	2.8
55.05270	1.9
55.05510	22.4
56.96551	6.1
57.03436	14.5
57.07072	3.0
65.03917	1.8
67.05504	78.2
69.03420	1.8
69.07065	24.4
70.90720	2.7
71.05001	11.0
73.02871	1.5
79.05495	39.2
81.03422	3.7
81.07056	100.0
83.04985	10.6
83.08620	20.0
84.08121	2.1
85.02888	1.5
85.06547	9.6
91.05482	26.8
93.07043	70.2
95.04977	6.6
95.08607	31.3
97.06529	16.6
97.10154	4.1
99.08084	4.9
100.11256	13.5
105.07040	10.1
107.04940	1.3
107.08595	37.4
109.06509	2.8
109.10155	8.5
111.08093	11.5
113.06006	1.3
117.07018	10.7
119.08555	4.1
121.06499	4.2
121.09311	2.3
121.10143	23.7
123.08113	1.7
123.11724	3.1
125.09612	2.0
127.07524	1.5
128.26672	1.3
129.07019	2.6
131.08572	17.2
133.10115	15.2
135.08092	6.6
135.11697	22.1
139.11234	1.6
143.08549	2.3
145.10115	4.2
147.11678	2.6
149.09644	2.0
149.13260	62.1
151.14780	1.5
157.10146	2.7
159.11690	28.5
159.71440	1.5
163.11162	3.8
167.07085	1.8
169.10118	1.5
171.11679	2.6
174.08015	2.9
177.12723	15.0
183.08580	2.5
185.13310	2.2
185.58777	2.3
192.09074	1.5
195.13799	27.7
209.16727	1.9
210.10809	1.3
218.71822	1.4
227.10765	2.0
227.12721	5.0
227.14572	2.8
227.17888	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.87264	0.8
53.03944	1.5
53.40712	0.8
54.00835	0.8
55.01862	2.9
55.05275	1.1
55.05517	13.9
56.96561	3.7
57.03424	3.6
57.07054	2.0
59.04996	1.5
65.03926	1.2
67.05509	46.2
69.03416	1.0
69.07072	12.8
71.04996	100.0
71.49101	0.7
79.05496	24.1
81.03416	2.0
81.07059	60.6
83.04982	5.1
83.08627	10.0
85.02905	1.2
85.06554	6.3
91.05481	12.9
93.07048	36.5
95.04980	4.4
95.08612	23.3
95.55777	0.8
97.06537	10.2
97.10176	2.6
98.97576	1.3
99.08083	2.9
100.11258	7.9
103.47490	0.8
105.07040	6.8
107.04974	1.8
107.08604	19.8
109.06521	2.8
109.10166	5.3
111.04466	1.9
111.08102	4.8
113.96371	1.7
117.07032	8.7
119.08557	3.3
121.06510	2.7
121.10152	8.9
123.08074	1.0
123.11664	1.4
125.09602	2.5
127.07582	1.3
129.07011	0.9
131.08568	8.9
133.10135	11.1
135.08047	2.5
135.11696	17.5
139.11206	1.3
143.08595	1.2
145.10120	2.5
149.09599	2.2
149.12080	1.1
149.13269	20.6
151.11208	1.1
153.12729	2.4
157.10146	1.6
159.11702	15.4
163.11205	6.1
165.24281	0.7
167.10577	0.8
167.59186	0.8
177.12787	7.8
181.12254	1.8
185.13058	0.8
186.22112	1.8
189.00754	0.9
191.10686	1.2
195.13812	8.4
209.11700	1.6
209.15202	1.7
227.10583	1.6
227.12622	8.3
227.17685	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	227.1642
Annotation	Methyl dihydrojasmonate
Peak:m/z	Relative Intensity
53.03933	2.7
55.01880	10.5
55.05514	52.7
55.63319	1.1
56.05840	1.4
56.96560	3.7
57.07064	3.0
59.04982	3.2
67.05505	27.1
69.03421	6.0
69.07070	14.4
70.06573	1.3
70.07392	2.1
71.04612	2.2
71.04996	41.8
71.08635	1.7
79.05078	1.8
79.05496	20.8
81.03401	2.9
81.06603	2.2
81.07056	30.2
82.07391	2.0
83.04974	5.1
83.08619	30.4
84.08933	2.1
85.06544	10.5
87.04475	5.7
88.07614	1.5
91.05505	7.3
93.07046	21.2
94.07368	1.4
95.04988	1.9
95.08607	13.3
96.08940	2.1
97.06532	71.6
97.10174	39.5
98.06863	1.3
98.10440	1.6
98.97562	3.0
99.74867	1.5
100.11272	10.0
101.06023	1.2
105.07013	5.3
107.08600	22.0
108.08900	1.6
109.06507	2.7
109.10162	13.0
111.08101	6.2
117.06998	4.6
121.06515	2.7
121.10154	5.8
121.46574	1.2
122.10483	2.6
123.11677	1.7
125.08777	2.0
125.09636	29.0
131.08614	6.1
133.10094	3.9
135.08070	6.7
135.11700	8.0
145.10107	1.8
147.11589	1.7
149.13240	5.6
153.09087	3.2
153.12759	2.6
159.11676	6.2
163.11122	2.8
163.14784	2.2
164.15182	3.4
177.12726	9.5
181.16235	1.2
181.17809	8.4
182.16260	1.8
189.11240	2.6
191.10629	2.1
195.13814	36.9
199.18852	1.3
203.12770	2.5
209.16510	1.2
227.12994	12.6
227.16383	100.0
227.18311	13.4
228.23161	7.9
244.66489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01865	4.1
55.05512	21.3
56.96566	1.8
57.03441	15.9
57.07063	5.0
64.81223	1.1
65.03929	1.6
67.05507	72.8
67.95190	1.2
69.03429	2.1
69.07069	25.5
70.21408	1.1
71.04996	16.5
71.08625	1.5
74.45042	1.1
79.05495	41.0
81.03402	4.4
81.07058	100.0
83.04980	17.7
83.08614	18.7
85.02888	5.1
85.06551	7.5
91.05486	21.3
93.07047	69.1
95.04976	7.1
95.08604	28.3
97.06532	17.4
97.10166	5.5
98.21556	2.5
99.04471	2.3
99.08079	6.8
100.11259	12.8
105.07024	6.1
107.08596	37.5
109.06518	2.5
109.10111	6.2
111.08076	8.3
117.07018	12.8
119.08582	4.2
121.06495	3.7
121.10154	18.5
123.08039	1.6
123.11707	2.6
125.09612	3.0
129.06969	2.0
131.08572	13.9
133.10150	15.4
135.08017	2.7
135.11696	24.6
139.11194	1.8
143.08588	1.2
145.10043	3.0
147.11697	2.1
149.09641	1.7
149.13264	64.8
151.11165	1.2
157.10155	2.6
159.11693	29.1
163.11165	4.8
177.12744	14.0
177.75784	1.3
183.11772	1.3
195.13806	26.8
195.94182	1.3
209.11729	3.1
209.16597	1.6
213.14857	2.1
227.09149	2.2
227.12625	7.7
227.14708	1.7
227.17848	7.2
227.19818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03947	3.1
53.14117	0.8
55.01866	3.1
55.05514	15.7
56.96570	2.7
57.03192	1.1
57.03445	12.2
57.07067	2.1
57.78853	0.9
59.05000	0.9
65.03918	2.3
67.05508	73.9
69.03424	1.5
69.07071	23.3
70.85840	1.3
71.01358	1.1
71.04994	9.0
77.03917	0.9
79.05497	37.1
81.03419	3.7
81.07060	100.0
82.07360	1.0
83.04984	11.5
83.08619	15.8
85.06539	5.9
91.05484	19.9
93.07048	64.7
95.04974	5.9
95.08613	28.3
97.06536	14.8
97.10165	2.1
99.08118	4.9
100.11284	4.5
105.07046	6.9
107.07880	1.6
107.08598	32.5
109.06508	2.7
109.10166	3.1
111.08078	10.4
113.06037	1.0
113.09632	1.7
114.03073	0.8
117.07017	12.6
119.08592	3.8
121.06516	2.4
121.10147	21.3
123.11733	2.8
125.06018	0.9
125.09650	1.1
127.07597	0.9
130.07848	0.8
131.08574	14.0
133.10149	13.4
135.08017	2.0
135.11697	18.5
139.07558	1.3
139.11186	2.1
145.10066	1.1
147.11668	1.3
148.50919	0.8
149.09633	2.5
149.13264	61.1
150.13612	1.0
151.11247	1.5
153.66795	0.8
157.10152	1.7
159.11705	29.2
165.12744	0.9
167.14345	1.2
171.11711	0.9
177.12747	13.2
195.13831	23.8
213.14905	1.8
227.17958	3.7
233.28711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03946	1.4
54.07359	0.4
55.05516	4.7
56.02658	1.2
56.06487	0.4
56.96561	1.1
57.03433	0.4
57.07060	0.6
65.03947	0.8
66.14318	0.4
67.05507	20.5
67.83934	0.5
69.03419	0.7
69.07076	3.3
70.92561	1.0
71.04995	100.0
72.28027	0.4
79.05495	8.9
81.03433	0.7
81.07058	30.4
83.04980	1.8
83.08621	2.6
85.06545	2.4
91.05482	5.5
91.10999	0.5
93.07045	15.0
95.04984	1.2
95.08610	15.4
97.06549	3.4
97.10192	1.5
99.04445	0.7
99.08109	0.8
100.11284	1.6
105.07043	2.7
107.08580	5.7
109.06532	1.9
109.10164	2.1
111.04435	0.5
111.08095	2.1
113.06033	0.7
117.07007	3.9
119.08599	1.4
121.06513	1.3
121.10172	1.9
123.08107	0.4
123.11745	0.7
125.09653	1.6
127.07528	0.5
129.07074	0.5
131.08559	4.6
133.10146	4.0
135.08081	1.6
135.11696	10.0
143.08563	0.7
145.10133	0.8
149.09659	0.5
149.13260	7.0
151.11234	0.6
153.09145	0.5
157.10130	0.7
159.11700	7.7
163.11172	0.6
171.11754	0.6
174.08028	0.8
177.12775	3.0
183.08667	0.9
185.13213	0.5
185.43959	0.5
189.11281	0.5
191.10773	0.6
192.09171	1.1
195.13809	2.3
209.15317	2.7
227.12680	2.3
227.16347	0.9
227.18079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.05120	0.7
53.03947	2.9
55.01876	3.7
55.05511	18.3
56.96552	2.1
57.03440	15.4
57.07065	3.7
57.81791	0.8
65.03927	2.3
67.05507	77.7
69.03396	1.0
69.07071	22.9
70.05296	3.2
71.01336	1.4
71.04989	8.3
71.08635	1.0
73.02930	1.8
77.03955	1.2
79.05496	36.3
81.03422	3.1
81.07060	100.0
83.04984	11.4
83.08628	18.5
84.08140	1.3
85.06555	7.7
91.05484	19.9
93.07048	72.3
95.04973	5.0
95.08613	27.1
97.06536	14.9
97.10174	3.3
98.97598	1.0
99.04449	1.4
99.08096	5.1
100.11259	11.1
105.07031	9.9
107.04966	1.5
107.07877	1.9
107.08600	35.1
109.06525	2.9
109.10143	4.5
111.04444	1.8
111.08083	10.9
113.06001	0.8
113.09641	1.4
117.07030	12.3
119.08582	4.2
121.06513	3.3
121.10143	22.1
123.11718	2.4
125.09644	3.3
127.07523	1.2
129.57608	0.9
131.08559	12.9
133.10117	11.9
135.08060	2.8
135.11697	19.9
139.07530	1.0
139.11177	2.4
142.07794	1.2
143.08597	1.2
145.10149	2.6
147.11757	1.8
149.09608	3.1
149.13263	65.3
150.13728	0.9
151.11223	1.9
153.09079	1.4
157.10106	2.4
159.11703	28.5
163.11156	2.5
167.14320	1.7
169.10139	1.0
171.11717	1.2
171.25768	0.9
173.09596	0.9
177.12761	13.3
183.08572	1.0
195.13817	23.0
209.11713	1.3
209.13510	1.1
209.16632	1.0
210.10722	0.9
213.14819	1.8
227.12756	3.5
227.14471	1.7
227.17931	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	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03936	1.4
55.01879	10.5
55.05513	5.4
56.16307	0.6
56.96549	0.8
57.03439	6.5
57.07075	2.3
59.04998	1.5
61.02927	0.7
65.03921	1.2
67.05504	9.0
69.03427	2.7
69.07071	10.2
69.46366	2.4
69.46786	2.1
71.04997	9.9
75.04491	3.3
76.19453	0.6
77.51286	0.7
79.05505	6.3
81.03416	1.4
81.07070	9.9
83.04973	2.9
83.08634	3.3
85.02929	1.3
85.06542	8.3
91.05489	4.0
93.07056	10.4
95.04977	100.0
95.08613	15.0
95.14494	0.7
96.05310	0.7
97.02892	1.3
97.05925	1.4
97.06541	21.8
97.10196	1.1
98.20731	0.8
98.97593	2.0
99.04462	21.2
99.08099	8.5
100.11263	5.4
101.00888	0.9
105.07038	8.8
107.04934	0.8
107.08603	18.4
109.06528	13.9
109.10168	6.7
110.06071	0.8
111.08091	3.0
113.06018	3.1
113.09645	1.4
115.07580	2.8
117.06994	1.3
119.01861	0.7
119.08589	5.8
121.06501	2.4
121.10152	10.3
123.08079	6.6
123.11724	2.3
125.06021	1.3
125.09647	3.5
127.07582	4.4
129.07045	0.7
131.08562	4.3
133.10158	13.3
135.08060	3.4
135.11690	5.6
139.11205	6.8
143.01929	4.0
145.10088	4.3
147.11731	5.4
149.09663	2.6
149.13263	4.3
151.07547	5.1
151.11227	2.1
153.09109	32.2
153.12781	2.3
158.10939	1.1
158.99632	1.1
161.02992	2.7
163.11182	7.4
163.14835	2.6
165.12842	1.1
167.07072	2.6
167.10675	2.1
169.08614	39.0
171.10178	4.6
171.11459	0.7
173.13297	9.6
181.12256	2.3
182.15390	1.0
183.13786	0.8
186.07257	0.7
191.10567	3.2
191.14326	9.7
206.09734	1.5
209.11888	3.3
209.15373	22.4
213.17862	2.3
215.10277	1.2
227.10786	1.0
227.12810	2.9
227.16335	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	2.0
55.01866	2.5
55.05504	13.0
56.96556	2.0
57.03414	6.4
57.07055	4.3
57.15632	1.6
59.04983	4.0
62.33468	1.5
65.03932	2.0
67.05502	14.9
69.03429	7.3
69.07066	18.2
70.06577	1.7
70.19695	1.9
70.20036	6.7
71.04994	22.7
71.08633	1.7
73.02903	5.4
79.05490	11.1
81.03394	1.5
81.07056	29.6
83.04955	5.8
83.08620	6.9
85.02890	2.6
85.06529	11.7
86.09715	8.7
87.01144	1.2
87.04462	2.9
91.05482	10.8
93.06487	2.4
93.07039	32.3
95.04965	100.0
95.08598	20.4
97.06522	23.1
97.10143	5.2
98.97552	5.8
99.04463	15.6
99.07497	2.2
99.08093	35.8
100.11249	13.1
101.00824	1.7
105.07017	16.6
107.08595	25.1
109.06522	16.4
109.09551	1.5
109.10160	13.8
110.07169	1.5
111.04453	1.5
111.08091	10.0
111.11665	2.7
113.05990	2.8
113.09637	3.1
113.98161	1.4
114.09084	1.4
115.07535	6.8
117.06977	3.1
119.01942	2.1
119.08567	13.7
121.06447	1.7
121.10136	39.8
123.08036	4.9
123.11706	23.5
125.05975	1.3
125.09625	14.0
125.73473	1.4
127.07549	18.5
131.08591	7.1
133.09116	2.6
133.10126	44.0
135.08035	11.5
135.11691	8.6
136.52736	1.6
137.09581	5.3
139.11151	14.8
140.04631	3.3
143.01878	2.0
143.10628	4.2
145.10066	5.8
147.11717	9.6
149.09630	10.5
149.13257	10.9
151.11172	16.9
153.05534	1.8
153.09093	33.5
155.06973	5.6
158.11005	1.8
158.99684	2.5
161.02899	2.5
161.13217	1.8
163.11160	3.5
163.14850	8.0
165.12692	4.8
167.06984	5.3
167.10664	24.4
167.14293	3.5
171.10159	14.9
173.09567	2.4
173.13268	17.8
177.00641	1.7
181.04869	4.4
191.10640	4.0
191.14293	19.4
199.08691	2.2
209.08072	4.1
209.11671	5.4
209.15331	23.8
210.14754	1.3
213.17668	2.5
227.12688	4.8
227.16374	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	227.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01627	0.8
55.01864	4.6
55.05313	0.8
55.05517	9.8
56.96571	8.0
57.03430	4.0
57.07067	1.3
61.02934	1.1
62.98405	0.9
65.03960	1.1
67.05513	4.8
69.03419	4.0
69.07079	7.7
70.06586	2.4
71.04997	4.5
71.08634	1.0
71.43661	1.4
72.93775	1.3
73.02924	2.6
79.05519	5.2
80.05045	1.1
81.03421	2.4
81.07069	12.2
83.04978	3.2
83.08617	3.9
84.04478	0.8
84.08129	3.5
85.02898	4.4
85.06537	2.6
86.09721	18.0
91.05489	7.1
93.07056	7.1
94.06573	1.2
95.04989	5.5
95.08608	2.7
96.08161	1.2
97.02892	3.1
97.06549	4.3
97.10162	2.2
98.97610	9.0
99.04459	1.5
99.08088	4.3
99.97871	0.9
100.11282	6.8
103.05454	1.4
105.07028	3.8
107.04947	3.8
107.08621	7.7
109.06543	4.9
109.10164	1.3
110.07175	1.1
110.23946	0.9
110.97577	2.1
111.04460	1.8
111.05570	2.2
111.06326	1.0
111.08072	1.4
112.99144	1.3
113.96444	2.1
116.98618	3.2
117.07028	3.6
119.04920	1.2
119.08560	2.4
120.08122	1.6
121.02890	7.8
121.06500	3.6
121.10143	4.9
123.04450	1.1
123.11733	1.4
124.07550	1.3
124.99118	1.0
125.05997	1.0
125.09645	2.4
127.03919	3.6
128.98581	1.7
131.00160	1.3
131.04929	1.1
131.08560	2.3
131.19833	0.9
134.09673	10.1
135.04456	1.0
135.08070	2.6
135.11681	2.2
136.07584	2.3
137.05983	3.7
139.07585	1.8
143.00160	2.8
145.10139	2.5
146.09612	1.5
147.06819	1.6
149.05942	1.9
149.09631	5.1
149.13235	1.4
151.07573	1.9
151.09892	2.6
151.11108	1.2
152.04195	1.2
152.08031	1.3
152.10687	1.2
153.09113	1.5
155.07048	3.1
158.99683	2.6
161.01285	1.6
162.09160	31.3
163.03951	1.7
163.07529	5.3
163.11156	2.5
164.10872	0.9
167.07080	9.3
167.10652	1.6
168.05434	1.6
169.04384	1.4
174.09155	1.9
177.00746	1.7
177.05554	3.1
180.10213	100.0
181.04980	2.1
181.12238	1.3
182.99615	1.0
185.03075	1.3
185.54868	6.8
186.04446	1.4
191.10687	3.5
191.14339	1.5
192.10222	8.9
194.05237	1.3
194.55379	2.7
201.00713	1.4
203.55984	4.5
205.03822	1.3
206.06195	1.1
209.08124	2.7
209.11670	2.9
209.15326	1.1
210.11276	4.2
219.01765	1.1
224.06999	1.1
227.07030	1.4
227.08789	1.3
227.10698	1.8
227.12463	1.6
227.14395	1.5
227.17671	2.8
228.09323	1.3
245.05075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	2.0
55.01872	6.2
55.05507	20.5
56.96557	12.7
57.03432	5.5
57.07063	3.4
60.95841	1.6
65.03940	1.7
67.05506	23.0
69.03419	4.2
69.07072	13.6
70.08979	2.5
70.09370	2.3
71.04980	6.1
71.08640	1.6
73.02917	1.4
79.05495	36.3
81.03416	3.3
81.07063	25.8
83.04984	7.3
83.08620	13.4
84.78667	1.3
84.95991	1.2
85.02924	1.6
85.06545	3.9
86.36711	1.0
89.45701	1.0
91.05485	12.6
93.07048	40.2
93.07640	2.2
95.04982	6.9
95.08611	39.1
97.02893	3.8
97.06555	6.7
97.10150	6.2
98.97590	8.4
99.04452	5.9
100.11253	11.1
103.05444	1.7
105.07039	9.5
107.04955	8.4
107.08599	33.4
109.06512	4.5
109.10149	4.7
111.04404	3.4
111.08073	3.3
116.98637	5.8
117.07018	9.3
117.99060	1.4
119.08591	8.6
121.06538	5.5
121.10151	14.6
123.08065	1.9
125.05994	3.2
125.09649	7.0
127.07695	1.1
129.07014	1.5
130.04742	1.2
131.08574	4.4
133.10129	6.3
134.99686	2.1
135.08061	4.2
135.11693	57.3
137.05992	1.4
139.07532	4.2
139.11150	1.3
140.98633	2.0
143.08530	3.1
145.10121	22.9
147.08058	1.2
149.09631	3.4
149.13206	6.9
151.11201	2.3
153.09117	2.3
153.12749	4.5
157.10071	3.1
158.99667	2.9
159.11644	1.4
161.04771	1.3
163.11182	57.6
163.47005	1.1
167.07065	3.4
167.10626	1.5
169.08606	2.3
171.08098	1.1
171.11600	1.8
177.05383	1.1
177.12756	4.2
181.10143	1.3
181.10652	1.5
181.12213	13.2
186.08961	2.2
189.11273	1.9
191.10727	1.4
195.13881	2.3
202.98668	2.6
209.11690	4.6
209.15219	2.6
227.06990	3.2
227.12749	100.0
227.17664	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01863	5.7
55.05508	17.8
56.96540	2.1
57.03418	6.2
57.07079	8.7
59.04984	3.7
65.03941	2.4
67.05505	28.4
69.03411	5.9
69.07067	17.9
69.45534	1.2
69.71381	1.5
70.70305	3.4
71.05000	33.3
72.04509	1.5
73.06537	1.5
79.05079	1.8
79.05504	27.1
79.54906	1.6
81.03422	3.4
81.06593	2.0
81.07056	21.2
83.04991	12.1
83.08613	8.0
84.04491	3.1
85.06549	100.0
86.09697	11.7
87.04489	2.0
89.10902	1.4
91.05489	19.2
93.03309	1.4
93.06490	2.5
93.07053	35.0
95.04974	69.9
95.08616	18.1
97.06532	18.2
97.10158	2.9
97.23099	1.4
98.97598	9.5
99.04470	13.4
99.08096	18.7
100.11259	25.7
103.05480	1.9
105.07039	26.4
106.04274	1.3
107.04966	13.0
107.08604	41.5
109.06518	17.8
109.10164	11.0
111.04439	12.7
111.08085	8.8
113.05974	2.2
113.09634	1.8
115.05367	1.9
115.07582	4.1
116.98596	2.4
117.03366	1.6
117.07014	5.1
119.08589	21.5
121.06519	18.2
121.10150	39.0
123.04410	4.4
123.08068	4.1
123.11716	9.6
125.06002	7.8
125.09645	14.3
127.03874	1.8
127.07587	8.4
128.10716	3.2
129.06984	4.3
130.07739	2.8
131.04903	2.6
131.07599	3.3
131.08572	55.7
133.10141	23.4
135.08049	6.4
135.11682	10.8
137.05949	7.1
137.09604	8.8
139.07533	2.9
139.11156	8.6
141.05499	1.6
143.01881	4.4
143.08569	3.0
143.10677	3.8
145.10127	26.2
147.08046	6.1
147.11662	6.9
149.05975	6.5
149.09628	58.3
149.13243	8.6
151.11168	4.6
153.05484	2.8
153.09119	21.5
154.12267	4.7
155.07011	3.0
155.08606	1.7
156.10223	4.9
158.99617	2.7
159.14899	2.6
161.02879	2.8
163.07500	2.6
163.11189	21.9
163.14813	5.2
165.09123	9.8
165.12729	3.0
167.07056	33.7
167.10698	32.7
168.13814	1.6
169.08614	4.1
171.10202	12.7
171.11586	2.4
171.14922	4.2
173.09631	8.3
173.13292	10.2
177.00726	2.2
177.05434	7.4
181.06401	1.5
181.08534	1.9
181.91954	1.5
191.07059	2.0
191.10681	48.6
191.14307	11.2
195.06497	1.6
209.08165	5.0
209.11739	55.3
209.15170	17.3
227.06923	2.0
227.10568	3.4
227.12787	35.5
227.16222	46.4
247.25468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03944	2.3
55.01860	2.5
55.05500	4.1
57.03432	2.8
57.07083	6.8
65.03933	1.2
67.05181	1.4
67.05510	24.8
68.23815	0.8
69.03431	2.5
69.07074	6.5
70.80986	2.1
70.81308	0.8
71.05000	19.0
79.05495	22.9
81.07065	7.2
83.04990	7.0
85.06551	100.0
91.05488	13.7
93.07052	20.0
95.04980	10.7
95.08624	1.4
97.06548	5.2
97.25517	0.9
98.97596	2.4
99.04443	1.5
99.08102	7.1
105.07043	17.6
107.04961	11.4
107.08601	27.6
109.06529	6.5
109.10168	1.1
111.04442	11.9
116.06192	1.0
117.07018	6.4
119.08595	16.1
121.06500	13.9
121.10144	20.6
123.04417	1.5
123.08086	1.5
125.06003	6.6
125.09648	1.1
127.07588	1.1
129.07024	6.6
131.08574	61.0
133.10104	2.5
135.08038	2.0
135.11707	6.3
137.06041	1.5
137.09615	8.0
139.07552	1.8
144.37691	1.0
145.06461	1.6
145.10139	27.4
147.08011	5.9
149.05980	1.8
149.09628	62.2
153.05472	3.4
153.09140	2.4
155.07013	3.4
155.71129	1.0
163.07570	1.9
163.11203	24.0
165.09120	13.6
167.06944	1.3
167.10681	32.2
173.09615	6.7
179.10709	1.6
191.10683	62.8
197.11765	1.4
209.11742	58.0
227.12810	31.8
227.16321	2.1
237.02859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10415	0.9
51.73778	0.9
54.69954	1.0
55.01867	2.8
55.05508	2.3
57.03429	1.7
57.07074	4.6
65.03958	1.0
65.94114	1.0
67.05505	20.0
69.03446	1.4
69.07067	5.0
69.47938	4.3
69.48360	3.0
70.43919	1.0
71.04997	15.0
73.02901	1.5
79.05493	19.9
79.05917	1.6
81.01939	0.9
81.07068	6.5
83.04975	8.8
85.06544	100.0
86.09705	2.1
87.04496	1.2
91.05479	15.0
93.07047	20.5
95.04987	7.9
95.08592	1.8
97.06523	3.9
98.97601	1.3
99.08107	4.7
105.07028	14.2
107.04964	11.6
107.08593	23.1
109.06513	3.7
111.04444	12.8
117.07020	5.8
119.08581	14.8
120.04377	0.9
121.06508	11.7
121.10146	19.0
123.04440	2.7
125.05978	7.1
129.06989	5.3
130.07794	1.2
131.08563	61.2
133.10127	2.1
135.04379	1.1
135.08034	2.5
135.11665	6.8
137.05980	2.5
137.09627	6.3
139.07542	2.0
140.04703	1.5
141.05527	1.0
145.06458	1.8
145.10123	25.0
147.08057	4.4
147.11732	1.3
149.05963	2.2
149.09616	62.8
153.05470	4.7
155.07047	4.3
155.08450	1.1
158.99704	1.3
163.07544	2.6
163.11174	23.8
165.09158	10.9
167.07065	1.8
167.10681	32.3
167.12103	1.7
173.09647	6.6
179.10695	2.5
181.05016	1.5
191.10674	59.2
197.11702	2.7
209.11728	55.8
222.75217	1.1
227.12781	31.7
227.16197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03933	2.6
55.01874	5.6
55.05512	14.3
56.08176	0.8
56.39324	0.8
56.96562	0.9
57.03426	2.7
57.07065	1.5
60.95837	0.9
65.03931	1.2
67.05507	17.0
69.03419	2.1
69.07072	9.6
70.25815	2.8
71.04986	3.8
73.02901	2.0
79.05495	23.7
81.03415	3.5
81.07063	20.8
83.04995	4.9
83.08622	11.9
91.05482	7.4
93.07047	38.1
95.04974	7.6
95.08612	43.1
97.02882	5.4
97.06536	3.1
97.10152	2.1
99.04459	6.0
100.11243	1.9
103.05493	0.8
105.07040	6.9
107.04962	11.0
107.08602	26.6
107.64091	0.7
109.06506	1.9
109.10168	3.1
111.04444	3.2
111.08096	1.5
113.05979	0.8
117.07030	9.0
119.08578	8.3
121.06503	5.9
121.10144	13.8
125.05998	3.6
125.09644	1.0
129.07045	0.9
130.07794	2.9
133.10132	3.4
135.08049	2.2
135.11699	50.6
139.07501	2.0
143.08490	0.8
145.10127	30.5
153.12753	1.7
163.11186	71.4
173.09615	1.6
180.28905	0.9
181.12242	17.6
209.11694	2.3
227.12788	100.0
228.13080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Stagonolide
Peak:m/z	Relative Intensity
52.41082	0.5
53.03941	1.7
55.01876	5.1
55.05512	10.7
57.03427	1.9
57.07063	0.6
65.03921	0.6
67.05509	14.4
69.03423	1.6
69.06784	0.5
69.07068	5.8
70.30344	1.6
71.04980	2.0
71.40741	0.6
72.33006	0.5
73.02910	1.4
76.08110	0.6
79.05495	23.2
81.03413	3.3
81.06593	1.1
81.07059	18.9
83.04985	4.2
83.08630	9.7
85.06530	1.0
91.05478	5.9
93.03384	0.6
93.07050	33.3
95.04974	5.9
95.08614	40.0
97.02908	3.0
97.06532	3.7
97.10176	0.7
98.21433	0.6
98.97583	0.6
99.04459	3.5
103.05415	1.2
105.07024	6.3
105.17121	0.6
107.04958	8.6
107.08603	25.0
109.06530	1.6
109.10180	3.2
111.04430	2.5
111.08099	2.0
113.05993	0.7
117.07046	7.3
119.08596	7.9
121.06509	5.6
121.10154	13.1
125.05997	3.2
129.07033	0.7
130.07767	1.0
133.10141	1.4
135.08086	1.8
135.11700	46.1
137.13214	0.8
139.07556	1.9
143.08557	0.8
145.06441	0.6
145.10135	25.2
145.11287	1.4
153.12747	2.0
156.29185	0.6
163.11194	70.2
173.09644	1.2
181.10619	1.0
181.12231	16.5
191.10548	0.7
209.11761	2.3
224.84770	0.6
227.12791	100.0
228.13304	0.8
229.13013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05507	5.6
57.03433	1.5
57.07061	4.7
59.04995	1.5
65.05601	1.0
67.05493	3.2
69.07061	4.9
69.34312	9.5
71.01369	1.4
71.04994	34.4
77.86250	0.9
79.05495	6.3
81.03422	2.2
81.07069	6.4
83.04971	2.2
83.08620	7.7
84.08160	1.9
85.02903	3.0
85.06538	2.4
87.90871	1.1
91.05482	3.6
93.07033	4.1
95.04970	3.3
95.08604	7.9
97.06530	13.5
99.04459	100.0
99.08085	1.2
105.03391	1.3
105.07030	5.6
107.08596	33.6
109.06524	27.8
109.10123	1.6
111.08062	1.3
111.11728	2.4
113.09621	3.2
119.08566	3.3
121.10160	13.7
123.08083	17.9
123.11713	17.6
125.09628	8.5
127.07549	1.2
131.08588	2.1
133.10194	2.0
135.11710	1.7
137.09665	1.6
137.13283	3.1
139.11195	4.2
141.12764	3.4
147.11664	8.4
147.92387	1.1
149.09634	13.9
151.07481	1.4
161.13304	2.8
165.12764	19.1
167.10692	34.9
179.14345	3.2
183.13814	36.5
189.12831	5.2
207.13852	10.3
225.14833	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.68375	1.2
53.03949	3.7
55.01875	3.0
55.05512	10.5
57.03438	1.7
57.07073	3.5
59.04995	1.4
64.22159	1.2
65.03929	2.0
67.05507	30.0
69.03433	100.0
69.07078	12.0
69.88219	6.8
71.05008	8.4
73.32344	1.3
79.05497	17.8
81.03412	5.7
81.06590	2.6
81.07059	41.2
83.04979	12.3
83.08614	4.2
84.08134	1.7
85.02901	3.8
85.06541	3.9
91.05480	13.7
93.07050	22.8
95.04970	15.9
95.08060	2.2
95.08613	26.5
97.02897	4.1
97.06544	9.7
98.97615	1.6
99.04464	8.8
103.05497	2.5
105.03394	2.5
105.07036	50.3
107.04944	4.9
107.08594	19.7
109.06517	26.5
109.10158	13.6
110.07306	1.9
111.04457	2.0
111.08096	9.4
112.04246	1.4
117.07015	3.7
119.04950	2.5
119.08588	29.4
121.06512	6.0
121.10145	25.6
122.07305	6.9
123.04440	17.2
123.08073	14.0
123.11680	9.4
125.06001	1.4
125.09650	2.3
127.07574	1.6
129.06966	1.5
131.08568	3.9
133.06499	15.4
133.10133	52.7
135.08063	4.8
135.11705	3.6
137.05974	6.4
137.08545	2.4
137.09618	47.7
139.11189	22.9
143.08562	4.0
145.10118	5.8
147.08073	7.3
147.11702	39.9
149.09613	7.9
151.07535	9.8
151.11197	4.7
153.09166	2.2
156.09312	8.1
159.08069	3.5
159.11710	5.2
160.08823	2.1
161.09637	2.7
161.13252	18.4
163.11147	7.8
165.12756	5.0
167.10732	1.7
171.11699	13.3
174.10397	10.9
177.12796	2.0
179.14291	1.9
183.13829	1.6
189.12752	29.7
207.13818	40.1
224.58261	3.0
225.12933	1.6
225.14630	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03937	9.6
55.01867	5.6
55.05509	44.0
56.96556	10.0
57.03424	6.2
57.07067	8.8
67.05507	66.7
69.07055	21.2
70.97298	7.2
71.04984	10.1
73.06532	5.0
79.05496	97.2
81.03425	31.2
81.07057	53.2
83.04982	38.3
83.08610	13.6
84.08128	5.1
85.06554	6.1
91.05483	72.0
91.70980	3.4
93.07044	100.0
95.04974	41.1
95.08617	31.6
97.02910	4.4
97.06517	9.2
97.10123	5.4
99.04465	5.4
101.95032	52.4
105.03375	4.9
105.04517	5.4
105.07028	44.0
106.63960	3.8
107.04936	10.6
107.08578	30.7
109.06522	8.9
109.10143	7.5
111.04426	4.6
111.08105	6.8
117.06998	7.2
119.08583	30.7
119.96045	13.4
121.10136	12.3
123.08027	10.5
123.11725	5.1
129.07008	15.5
131.00247	6.0
131.08549	3.7
133.10129	15.5
134.64455	4.1
143.08553	8.4
145.10124	10.1
147.07967	4.3
147.11691	63.1
149.01228	7.0
156.53778	5.4
158.76826	3.4
160.98715	16.7
161.09610	6.9
161.13261	20.0
163.11247	4.5
165.05412	3.9
171.11719	37.9
175.11191	6.4
178.99774	5.5
179.10831	4.6
183.13788	4.4
183.61296	6.6
189.12778	11.6
193.12189	20.5
207.13791	27.2
220.61598	4.6
224.58218	8.9
225.12848	6.3
225.14819	43.4
225.16698	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01856	3.1
55.05522	13.7
56.96561	3.4
57.03439	4.3
57.07069	4.6
59.04991	5.2
61.88012	1.6
65.03934	2.5
67.05508	30.3
69.03420	7.1
69.07059	8.1
71.05001	16.2
71.06055	3.6
79.05502	11.7
81.03414	4.5
81.07065	21.0
82.67361	1.6
83.04979	19.0
83.08607	6.3
84.08138	3.6
85.02892	4.1
85.06554	10.9
91.05492	13.5
93.07052	17.7
95.04439	2.5
95.04974	16.5
95.08611	100.0
97.02889	3.8
97.06525	6.9
97.10179	3.3
98.97578	5.3
99.03857	2.9
99.04465	45.0
99.08083	5.8
99.73826	1.7
101.00952	1.7
101.95007	1.9
105.03378	3.8
105.07036	21.4
107.04944	5.8
107.08601	33.6
107.09651	1.6
109.06531	22.4
109.10180	10.9
111.04440	3.4
111.08066	6.1
113.06001	8.7
113.09632	1.9
116.98620	3.0
117.07011	2.2
119.04948	2.9
119.07818	2.5
119.08591	34.6
120.08049	3.1
121.06509	4.7
121.10146	21.7
123.04422	1.8
123.08077	64.1
123.11673	8.0
125.06002	8.2
125.09634	5.0
126.33215	1.6
127.07565	2.5
127.11056	1.7
129.06960	1.8
129.10252	2.1
129.52412	1.6
131.08545	3.8
133.06496	3.7
133.10129	10.0
135.08011	3.9
135.11710	12.6
137.09624	14.0
137.13245	3.9
141.09068	5.4
145.10103	7.0
147.04411	2.8
147.08063	3.8
147.11661	13.5
149.09619	36.6
150.18904	1.6
151.07561	13.5
151.11166	4.0
151.14815	3.0
156.09311	4.4
161.09598	7.2
161.13287	14.6
163.11179	22.8
165.09081	5.8
165.12782	12.1
167.10721	11.8
169.08623	2.1
171.11665	5.0
179.10643	3.0
179.14296	6.0
181.12216	6.4
183.06532	4.9
183.10007	1.7
183.13824	9.0
189.09085	2.7
189.12752	16.4
195.13704	1.7
207.06433	2.6
207.10027	2.7
207.13820	39.5
208.09740	2.7
225.06555	10.3
225.09012	4.0
225.11195	2.7
225.14841	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91650	2.0
70.91997	3.4
82.99831	5.8
101.00887	62.3
119.01927	100.0
124.02464	11.5
137.02983	11.8
141.48198	1.8
142.03513	59.7
158.99904	7.0
160.04549	7.9
161.01585	1.9
161.02950	36.9
177.00948	15.8
177.93454	1.5
179.02530	2.9
179.04027	37.8
184.04562	6.5
197.77240	1.8
201.00981	2.8
202.05592	3.6
217.04173	2.4
219.02054	18.5
220.02165	1.9
225.00821	2.5
243.02036	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	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.3
56.96571	6.6
57.03428	4.3
61.02920	2.0
63.13317	1.2
66.22329	1.3
69.03415	2.7
70.06598	1.8
70.33829	4.5
71.04982	3.4
72.08147	4.8
73.02907	6.1
79.70046	1.2
81.03434	2.6
82.06573	1.6
82.99839	2.4
83.04967	2.1
84.01159	1.8
84.04485	1.3
84.08147	100.0
84.96027	4.8
85.02905	7.2
91.05490	2.2
95.04967	1.8
95.08595	2.0
97.02886	6.6
98.21455	1.4
98.97583	5.1
99.04456	2.4
101.00886	33.4
102.00959	2.0
111.07996	1.5
112.99110	1.7
115.02449	2.0
119.01922	59.9
119.04871	1.4
121.63562	1.4
123.01997	1.3
123.02869	1.6
123.08024	1.5
124.02478	5.8
124.98832	1.3
127.03950	3.0
127.53569	1.5
129.10168	1.4
130.02849	1.8
131.00179	1.6
131.01907	2.7
133.01654	4.1
133.03439	1.5
137.02975	8.9
139.03275	1.7
142.02454	2.5
142.03502	36.6
143.01898	3.9
144.02164	1.9
145.04955	1.6
153.54002	2.0
155.01912	2.0
156.02066	1.9
156.03242	3.7
156.55608	5.7
159.04895	1.5
160.04538	8.4
161.02980	25.1
173.03000	2.2
174.02989	2.9
174.04514	1.8
174.54538	1.4
177.02585	1.5
179.02405	2.5
179.04004	23.8
182.99637	3.2
183.55203	1.6
184.02765	3.8
184.04671	5.3
185.02998	2.3
192.05595	1.7
192.55659	9.9
193.05418	6.3
194.15369	6.0
201.00795	3.3
202.03821	7.3
202.05568	2.5
203.04132	2.1
220.05040	1.4
225.15945	4.2
225.19676	4.3
246.05255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
50.17916	0.9
52.44648	0.9
53.03951	4.3
53.04147	0.8
55.01873	4.3
55.05515	26.2
56.96555	1.7
57.03423	3.9
59.05008	1.3
67.05506	21.5
69.03426	5.3
69.07061	6.8
69.36384	0.9
70.93082	2.1
71.04985	3.1
73.06541	1.1
79.05499	23.3
81.03423	100.0
81.06602	1.1
81.07061	23.9
83.04987	27.0
83.08623	34.5
83.09123	1.9
85.06523	3.3
91.05480	25.8
92.76979	1.0
93.07043	12.2
93.69359	0.8
95.04372	1.9
95.04974	35.3
95.08611	9.8
97.02886	3.9
97.06555	4.3
97.10184	5.2
99.08097	1.1
101.95038	1.7
104.35885	0.9
105.06398	1.4
105.07037	17.4
107.04968	5.7
107.08605	6.5
109.06496	4.1
109.10144	1.6
111.04441	2.8
111.08085	12.9
113.05927	0.9
115.05468	1.0
117.06974	1.4
119.08591	17.2
121.06564	1.1
121.10147	7.6
123.08039	2.4
125.09634	1.4
129.07014	11.2
131.08569	10.9
133.06473	3.6
133.10136	8.5
137.09651	2.0
137.74698	0.9
142.07814	2.4
145.10083	1.5
147.08029	3.1
147.11710	11.9
149.09637	7.9
153.73802	0.9
157.10130	15.7
165.12749	2.4
175.11211	16.4
183.58684	1.3
192.59431	1.2
193.12254	70.1
196.99603	0.9
201.51605	0.9
203.68269	0.9
207.13776	1.1
225.14764	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	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05511	2.5
56.05045	1.3
56.96564	11.3
57.03428	1.8
58.06608	2.8
59.04980	1.7
60.35563	1.0
67.05500	2.8
68.05021	2.3
69.03413	3.1
69.07066	2.8
70.02096	3.9
70.06590	1.9
71.04979	1.7
72.08158	28.0
73.02898	2.5
74.41799	1.0
79.05495	10.1
81.03399	3.5
81.07052	8.6
82.06572	1.8
83.04976	3.0
84.04514	1.8
84.08160	8.9
84.96024	1.8
85.02901	2.0
86.09676	1.4
90.22880	1.1
91.05484	9.6
93.07041	4.8
93.41283	1.1
94.06515	1.2
95.04949	1.8
95.08632	1.3
97.02882	4.7
97.06504	1.8
98.97585	17.0
102.96940	1.1
103.05479	10.8
105.07031	35.6
107.04963	4.8
107.08598	1.9
108.08100	1.4
109.06503	1.3
110.09694	10.4
110.97569	1.6
112.11213	1.5
112.99142	2.1
115.05435	1.6
116.98623	6.9
118.06539	12.7
119.01871	2.1
119.04947	2.0
120.08109	20.1
123.08073	1.3
128.06201	4.0
128.98677	2.2
129.10231	2.8
130.06509	4.2
131.00139	2.8
131.04912	3.6
131.07281	4.2
131.08569	1.0
132.08058	4.0
136.07593	8.6
143.00270	1.4
143.08551	3.6
144.08084	1.4
145.01703	1.8
146.99632	1.4
147.03137	1.8
147.04332	2.5
149.01215	1.6
150.02643	1.8
150.05519	2.8
150.09120	1.8
156.05424	2.1
157.01689	1.1
158.99702	5.9
160.11224	100.0
163.11014	1.2
165.05530	2.0
170.80331	1.2
173.01163	1.2
175.02817	1.9
175.04346	2.6
175.97209	1.3
177.00668	2.8
178.05150	1.3
178.08624	3.5
178.12280	87.8
180.13779	3.5
182.08119	1.9
182.99713	1.8
187.02812	2.2
188.07144	1.3
191.59503	1.2
194.06949	10.2
194.57159	1.3
201.00668	3.7
201.02472	1.2
201.04276	1.2
203.05656	2.2
203.07541	28.0
203.57713	4.3
206.08069	1.4
206.11745	15.3
207.18556	5.6
212.08037	3.1
214.58244	2.3
219.01807	2.8
224.06160	2.2
224.09178	4.9
224.12814	50.3
224.16464	4.5
224.21220	5.8
226.04480	1.9
237.02727	1.2
240.80125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01848	0.3
55.05501	0.9
56.96560	0.9
57.03429	0.4
57.07090	0.3
58.96202	0.2
60.95818	0.2
65.03928	0.3
67.05502	0.5
69.03418	0.7
69.07073	0.4
69.36711	0.6
69.37126	1.1
70.06578	0.5
71.04987	0.5
78.04718	1.4
79.05496	1.7
81.03405	0.3
81.07060	0.7
82.17059	0.3
83.04979	0.4
83.08624	0.7
84.08134	0.3
84.96074	0.2
85.02886	0.4
86.06057	0.3
86.76634	0.2
91.05502	1.1
93.07049	1.1
93.29732	0.2
95.04987	1.3
95.08611	0.7
97.06483	0.3
98.20703	0.4
98.97566	0.8
105.03397	0.7
105.07027	0.6
106.04208	1.4
107.04963	12.6
107.08578	0.9
109.02863	0.2
109.06523	0.3
109.10146	0.3
111.08085	0.4
116.98597	0.3
117.03384	0.3
117.07041	0.3
119.08594	0.6
119.38442	0.2
120.08107	0.6
121.02895	0.5
121.06522	1.3
121.10113	0.4
123.04494	0.3
123.08060	0.9
125.05924	0.3
131.08623	0.3
133.02875	0.6
134.03636	3.7
135.04434	3.9
135.08047	0.4
135.11697	0.5
137.02351	0.4
137.05997	0.5
137.09622	0.3
139.07559	0.3
145.02940	0.4
145.03958	1.1
145.10133	0.4
149.02344	1.4
149.09618	0.3
150.03125	0.4
151.04010	0.3
158.99669	0.3
159.11728	0.5
161.02316	0.4
161.13307	0.2
162.03133	16.9
163.03920	8.0
163.07465	0.2
163.11186	1.2
165.01845	0.6
167.07045	1.0
177.00749	0.3
177.09109	0.3
177.12796	0.5
178.02615	0.5
179.03410	5.1
179.06973	0.3
180.04218	1.4
190.02620	20.1
191.03305	0.8
193.01395	1.6
193.02872	0.3
194.02129	1.8
195.06528	1.2
204.60661	0.2
205.01349	0.4
205.12221	1.3
207.00931	0.3
207.02898	8.1
208.03674	12.9
213.61205	0.9
214.11125	0.3
222.61726	1.0
223.06020	100.0
223.13109	1.5
224.06323	0.9
225.04291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0602
Annotation	K 251-1
Peak:m/z	Relative Intensity
54.51087	0.2
55.05508	0.8
56.96560	0.7
57.03423	0.3
59.04998	0.3
65.03929	0.5
67.93221	0.3
69.07059	0.4
69.90514	0.9
69.90924	0.6
70.06587	0.3
75.11926	0.2
78.04694	1.3
79.05487	1.6
81.03424	0.4
81.07066	0.6
83.08600	0.4
84.08138	0.3
85.02905	0.4
89.03946	0.3
89.05999	0.3
91.05487	5.9
93.07022	0.7
95.04950	0.6
95.08610	0.3
98.20732	0.3
98.97585	1.6
105.03387	0.7
105.04490	0.4
105.07095	0.3
106.04178	1.3
107.04961	11.7
107.08609	0.7
109.02908	0.4
112.99154	1.5
116.98647	0.3
118.48787	0.3
121.02869	0.4
130.06522	0.6
131.00154	0.8
131.06850	1.2
133.02881	0.5
134.03630	2.9
135.04425	4.9
137.06055	0.4
145.02887	0.3
145.03943	0.9
147.04416	0.7
149.02327	0.9
150.03070	0.3
152.04691	0.4
155.04323	0.3
158.99710	0.6
159.06314	0.4
161.02336	0.4
162.03137	17.2
163.03923	8.0
163.11169	0.6
165.01862	0.5
167.07030	0.7
177.00642	0.4
177.07439	1.4
177.12662	0.4
178.02625	0.8
179.03397	4.3
180.04233	1.3
190.02623	18.9
191.03363	1.0
193.01399	1.5
194.02115	1.4
195.06599	1.3
203.07516	0.3
205.01260	0.3
205.12337	0.5
207.02910	8.2
208.03677	13.5
223.06017	100.0
224.06334	1.1
226.38347	0.3
235.04851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0602
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.97898	0.2
69.88539	1.0
77.63232	0.2
78.04710	1.8
79.05497	1.2
82.04195	0.2
89.03899	0.2
91.05483	0.6
95.04951	0.3
98.20773	0.3
105.03392	0.6
105.04532	0.2
106.04176	1.7
107.04960	12.6
107.77217	0.2
117.03317	0.2
133.02856	0.4
134.03653	3.8
135.04419	4.5
144.02092	0.3
145.02859	0.3
145.03963	0.8
146.03654	0.2
149.02324	0.3
152.04726	0.4
161.02379	0.6
162.03137	18.4
163.03928	7.9
165.01842	0.6
167.07051	0.8
178.02618	0.7
179.03395	5.0
179.07039	0.3
180.04189	1.5
190.02626	20.7
191.03383	0.8
193.01318	1.6
194.02144	1.8
195.06541	1.1
205.01321	0.5
207.02902	8.3
208.03676	13.0
223.06020	100.0
224.06371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.3
55.05500	0.4
56.96551	0.5
65.03917	0.3
67.05501	1.0
69.07059	0.7
71.04768	0.2
75.09532	0.2
77.03927	0.2
78.04709	1.9
79.05484	1.7
81.03413	0.5
81.07051	1.6
83.04989	0.3
85.02871	0.3
91.05489	1.1
93.07026	0.7
95.04940	0.6
95.08607	0.6
97.06528	0.2
98.97582	1.4
105.03396	0.9
105.04536	0.3
105.07025	0.5
106.04187	1.2
107.04961	12.7
107.08590	0.8
109.06496	0.3
116.98634	0.5
118.04156	0.2
119.04941	0.2
119.08587	0.5
121.02914	0.3
121.06472	0.3
121.10173	0.4
123.04441	0.3
123.08025	0.2
125.05952	0.3
131.00175	0.3
131.08591	0.2
133.02786	0.4
134.03639	3.6
135.04416	4.5
135.11723	0.3
137.02316	0.2
137.05931	0.3
145.02826	0.4
145.03954	0.7
145.10146	0.5
149.02328	1.6
149.09592	0.4
150.03047	0.2
152.04683	0.2
154.94221	0.2
158.99622	0.8
159.11740	0.3
161.02336	0.4
162.03128	16.9
163.03917	8.2
163.11195	1.0
165.01846	0.4
167.07111	1.1
167.08286	0.2
177.00648	0.4
177.05600	0.2
177.12712	0.3
178.02660	0.4
179.03403	4.8
179.07005	0.3
180.04208	1.1
181.12209	0.3
190.02614	19.4
191.03319	0.8
193.01323	1.4
194.02162	1.7
195.06514	1.4
195.08026	0.3
202.98711	0.2
205.01259	0.3
205.12270	0.5
205.15883	0.3
207.02913	8.2
208.03668	12.3
223.06010	100.0
223.16940	0.8
224.06351	1.0
224.08247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35040	0.2
53.03936	0.5
55.05509	0.2
55.22817	0.2
57.75796	0.2
58.91811	0.2
65.03922	0.4
67.05496	0.5
69.03413	0.3
69.30506	1.7
78.04713	2.0
79.05500	1.3
81.03437	0.3
81.07048	0.5
83.04957	0.2
89.03873	0.2
91.05510	0.9
91.84152	0.2
93.07027	0.6
95.04961	0.7
95.08598	0.4
97.02903	0.3
98.97589	0.2
105.03390	0.7
105.07019	0.2
106.04192	1.6
107.04963	12.4
107.08575	0.8
109.02874	0.2
109.06503	0.3
109.10146	0.3
111.08102	0.2
117.07005	0.2
117.52887	0.2
118.04160	0.4
120.02098	0.2
121.02896	0.2
121.06458	0.3
121.10132	0.3
123.04470	0.3
133.02847	0.4
133.06461	0.3
134.03641	4.3
135.04419	4.3
135.11673	0.2
137.05957	0.3
145.02890	0.3
145.03993	1.0
145.10098	0.6
149.02333	1.1
152.04680	0.3
154.08208	0.2
158.99661	0.2
159.11644	0.3
161.02394	0.5
162.03133	16.3
163.03920	7.7
163.11252	0.5
164.04689	0.4
165.01799	0.5
167.07034	1.0
177.12708	0.3
178.02574	0.3
179.03395	4.5
179.06981	0.3
180.04219	1.2
185.51303	0.2
190.02614	20.0
191.03374	0.9
193.01320	1.8
194.02156	1.6
195.06561	1.4
205.01311	0.5
205.12248	0.4
207.00909	0.3
207.02899	8.0
208.03671	13.0
220.17006	0.2
223.06015	100.0
224.06271	0.9
243.12405	0.2
244.10443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03946	0.4
55.01870	0.2
55.05499	0.2
57.07059	0.3
59.27473	0.2
59.50308	0.2
64.52380	0.2
65.03925	0.4
67.05489	0.5
67.80724	0.2
68.99770	0.3
69.07061	0.5
69.59905	1.2
71.05003	0.2
71.61423	0.2
75.92532	0.2
77.03927	0.2
78.04707	1.7
79.05494	1.4
81.03408	0.8
81.07076	0.9
83.04984	0.2
83.08656	0.2
88.28503	0.2
89.03928	0.3
91.05484	1.0
93.07056	0.4
95.04974	0.9
95.08601	0.5
97.06483	0.2
98.20731	0.2
98.97580	0.3
100.04046	0.2
105.03364	0.9
105.07007	0.4
106.04176	1.6
107.04961	13.1
107.08593	0.5
109.02856	0.2
109.06487	0.6
111.08041	0.2
117.07020	0.3
118.04163	0.4
119.04937	0.3
119.08582	0.3
120.02100	0.3
120.08955	0.3
121.06469	0.2
121.10155	0.4
127.65852	0.2
131.08553	0.3
133.02866	0.6
134.03636	3.9
135.04427	4.2
135.08026	0.2
135.11665	0.3
137.02266	0.2
137.09641	0.3
138.09937	0.2
139.07497	0.2
144.02051	0.2
145.02855	0.3
145.03961	0.9
145.10069	0.3
149.02333	1.0
150.03145	0.3
151.03891	0.4
152.04726	0.3
159.11728	0.4
161.02313	0.8
162.03131	16.9
163.03918	8.8
163.11130	0.4
165.01845	0.6
167.07066	1.1
177.01880	0.3
177.12802	0.8
178.02603	0.4
178.13103	3.0
179.03389	5.1
179.06964	0.3
180.04161	1.7
187.11133	0.2
190.02611	18.8
191.03262	0.8
193.01352	1.8
194.02122	2.2
195.06549	1.1
205.01369	0.4
205.12282	0.3
207.02896	8.4
208.02148	0.4
208.03670	14.4
223.06013	100.0
223.13132	2.0
223.18903	0.9
224.06319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
52.33426	0.2
52.51568	0.2
55.05500	0.3
56.05029	0.4
56.07972	0.2
57.11245	0.2
63.01149	0.2
63.30830	0.2
65.03938	0.3
66.28784	0.2
67.05502	0.4
71.12318	0.5
78.04713	1.8
79.05495	1.2
81.03418	0.4
81.07042	0.4
89.03917	0.3
91.05486	0.8
95.04967	0.5
95.08588	0.3
98.97588	0.2
105.03393	0.7
106.04192	1.3
107.04961	13.1
107.08607	0.3
117.03350	0.2
118.04183	0.4
119.04936	0.2
121.02856	0.4
121.06493	0.2
121.10101	0.2
123.04367	0.2
126.01038	0.9
131.08586	0.2
133.02864	0.5
134.03635	4.0
135.04425	4.7
144.02109	0.3
145.02940	0.2
145.03961	1.2
149.02315	0.7
150.03043	0.4
152.04733	0.3
159.11603	0.2
161.02255	0.4
162.03137	17.4
163.03918	8.3
165.01848	0.5
167.07022	0.9
169.10139	0.3
177.01903	0.3
178.02669	0.5
179.03409	4.9
179.07019	0.2
180.04233	1.3
190.02621	20.7
191.03442	1.0
193.01337	1.5
194.02159	1.8
195.06560	1.6
205.12238	0.3
207.02905	7.6
208.03685	13.6
223.06020	100.0
224.06435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36970	0.3
59.33108	0.3
67.02927	0.4
70.39825	0.7
70.40202	0.7
85.88560	0.3
87.41783	0.3
91.18887	0.3
98.21503	0.4
101.00911	1.7
101.01480	0.4
119.01923	1.5
120.95341	2.0
130.98029	0.3
133.25877	0.4
138.96425	20.4
140.37207	0.4
144.67412	0.4
148.95992	0.8
156.97493	100.0
157.97597	0.9
161.98041	0.4
174.98557	48.9
175.98578	0.4
176.99127	0.5
179.99081	3.5
180.97446	2.4
180.98882	0.4
198.00134	1.5
198.95854	0.6
198.98550	36.4
216.99609	52.8
217.99814	0.5
222.00188	0.7
225.78055	0.4
240.01227	0.8
241.64832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0763
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
55.01868	0.7
55.05508	0.7
56.96564	2.6
57.03450	0.6
59.58420	0.3
67.05502	0.4
69.03441	0.5
69.07094	0.4
70.06602	7.0
70.45644	1.1
71.95291	0.4
79.05502	0.7
81.07054	0.8
83.04984	0.9
84.08144	0.5
85.02903	1.1
86.09705	0.5
91.05487	2.3
93.07043	0.9
95.04997	0.5
95.08661	0.4
98.97597	8.3
102.04681	0.7
102.77054	0.4
103.05494	2.3
104.56025	0.5
105.07037	1.5
106.06547	1.6
107.04913	0.3
110.06036	0.7
111.08066	0.7
115.04700	0.8
115.05467	10.3
116.07098	5.1
116.98634	2.8
118.06561	3.8
119.07319	0.7
119.08617	0.7
120.08106	2.9
121.02888	0.9
121.06517	0.8
127.07059	2.5
128.98616	0.5
130.06535	100.0
131.00194	0.4
131.04948	2.8
131.06850	2.8
131.08531	0.4
132.04465	1.3
132.08099	1.2
133.04868	0.8
133.06502	12.0
134.06042	0.6
134.09683	1.2
134.99672	0.9
138.05492	0.5
140.04938	0.7
142.97908	0.4
143.06116	3.0
144.08133	0.6
146.99622	0.5
147.11748	0.6
148.07584	11.8
148.11243	0.8
149.06059	0.4
153.03041	0.4
156.97505	2.0
158.06024	84.5
158.99678	2.9
159.06392	3.6
160.07623	1.0
160.11226	3.2
162.05582	0.8
174.09131	2.1
174.98587	1.3
176.07080	7.8
176.08994	3.6
176.10600	0.6
177.00760	2.0
186.05513	7.3
191.08556	1.3
192.10201	3.0
194.05569	0.5
194.11751	0.5
198.98605	0.6
204.06572	19.3
210.06476	0.4
216.99719	0.6
219.01869	0.4
219.08017	0.5
222.04816	0.7
222.05162	0.8
222.07683	6.6
222.11266	10.2
222.14740	0.6
225.14780	0.5
236.10753	0.9
243.65576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	1.3
53.68526	1.2
55.05511	7.9
56.96563	2.2
57.07082	8.4
59.04994	1.5
67.05508	13.0
69.03434	1.5
69.07074	15.0
69.57326	5.2
69.57738	2.0
71.04993	1.4
79.05497	8.1
81.06596	2.2
81.07063	38.5
83.08628	5.2
85.06555	1.8
85.58388	1.0
91.05486	10.6
93.07057	18.5
95.04995	1.1
95.08614	44.9
97.06535	3.0
97.10155	2.8
98.20817	2.0
98.97592	2.7
105.07037	29.2
107.08601	35.5
109.06528	2.0
109.10165	33.1
111.08126	5.4
111.11730	1.9
119.08591	27.6
121.10157	16.3
123.08064	2.1
123.11713	14.7
125.09653	1.6
131.03773	1.3
133.10144	23.4
135.11705	5.9
137.09589	1.9
137.13237	3.1
139.11142	1.2
144.10785	1.0
147.11697	40.6
149.13264	7.5
151.11177	1.8
158.01146	1.2
161.13284	20.2
163.14836	8.4
165.12756	3.0
175.14801	7.4
177.16394	2.1
197.01263	1.1
203.17970	100.0
221.13426	1.5
221.15427	3.6
221.19023	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.6
60.07887	0.3
60.08166	3.1
65.86442	0.2
67.30298	0.2
70.33518	0.5
73.23789	0.2
80.87044	0.2
96.87719	0.2
101.29700	0.2
103.00650	0.8
104.10745	100.0
105.11111	0.2
116.76022	0.2
117.02179	0.9
121.01664	0.8
133.03470	0.3
135.03181	1.1
145.01669	0.6
147.50526	0.3
161.04831	0.2
163.02748	0.6
173.03519	0.2
173.04765	1.1
177.04471	0.2
191.05843	0.5
221.06898	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	221.1537
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03931	6.5
55.01860	7.4
55.05512	21.3
56.96566	9.6
57.03423	2.6
57.07065	4.8
65.03940	3.3
67.05506	56.7
69.03423	3.4
69.07070	25.4
69.29527	1.6
71.04996	22.6
71.53391	3.0
72.80037	1.9
77.03944	2.3
79.05497	56.2
79.89109	1.9
81.03391	4.4
81.07059	60.9
81.94984	1.5
83.04987	17.6
83.08639	12.1
85.02901	10.1
85.06532	4.6
91.05482	63.5
93.07043	67.2
95.04973	100.0
95.08604	36.7
97.06541	32.4
97.10143	2.7
98.97577	9.5
99.08089	3.4
104.10704	1.9
105.07037	45.1
105.14165	1.7
107.04961	36.5
107.08592	37.3
109.06536	16.5
109.10152	15.3
111.04436	17.9
111.08056	5.6
113.09684	2.2
115.05529	1.8
116.98624	3.6
117.07017	16.1
119.08589	30.0
121.06506	12.8
121.10139	11.3
123.08049	8.8
123.11699	4.9
125.09666	1.8
128.06180	3.1
129.07024	12.6
131.08546	6.6
133.06482	18.8
133.10143	18.2
135.08011	4.0
135.11703	8.9
137.09596	5.3
143.08560	14.8
145.10152	11.9
147.08009	5.4
147.11684	16.1
150.18623	1.7
157.10103	2.8
158.01247	3.2
159.11713	8.4
161.09630	5.8
161.13268	23.6
163.11179	17.8
165.09109	2.2
171.11707	3.3
175.11185	2.3
175.14848	8.6
177.12776	3.5
179.14330	33.4
185.13240	15.2
189.08542	5.4
189.12747	3.0
193.12201	1.9
198.09087	3.6
199.09819	2.2
200.59276	2.7
200.94502	1.7
203.14272	11.4
203.17868	2.1
209.76904	1.9
215.62480	1.7
221.04471	3.4
221.07846	2.2
221.13416	3.0
221.15361	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03946	3.7
55.01879	2.2
55.05505	4.0
56.96568	2.7
57.07073	1.3
59.05005	2.2
64.55337	0.6
65.03975	0.7
67.05503	15.6
69.07075	6.0
69.20226	0.6
70.03423	2.9
70.98137	1.2
71.05004	0.9
77.03922	0.7
79.05497	25.4
81.07059	15.2
83.04995	1.4
83.08617	4.6
85.06544	1.8
87.04518	0.8
91.04906	1.5
91.05486	37.4
93.07049	40.1
95.04420	1.2
95.04973	6.1
95.08611	5.7
97.06550	2.2
98.21454	0.7
98.97595	3.4
99.08125	0.9
104.10779	1.1
105.04533	1.0
105.07040	29.5
107.04966	0.9
107.08592	8.9
109.06537	1.8
111.08117	1.4
111.56815	0.6
115.05464	0.9
115.39874	0.6
116.98629	1.2
117.07027	3.6
119.08585	19.7
121.06499	1.3
121.10172	5.1
123.08079	2.6
128.06219	1.6
129.07010	11.3
131.08553	1.3
132.64262	0.7
133.10138	7.3
134.99606	0.9
135.08058	1.1
135.11688	0.9
137.09578	0.9
141.05630	1.0
143.08578	6.1
145.10121	10.3
147.08052	2.5
147.11693	100.0
148.12001	1.4
156.09348	0.7
161.09610	2.5
161.13272	18.0
165.09135	1.9
171.11696	33.4
175.11230	1.2
179.14301	1.6
189.12744	32.5
191.51964	0.8
193.12367	0.9
194.79631	0.7
203.14429	1.0
206.11110	0.7
206.80965	0.7
209.89684	0.7
221.13361	1.5
221.15359	25.6
221.18790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
63.02831	0.4
66.23658	0.4
70.06577	0.5
70.74200	1.3
74.19521	0.6
81.07004	0.5
82.02942	1.6
94.06570	2.9
103.05476	0.6
114.30374	0.5
115.05458	0.7
116.07130	0.6
120.08036	0.7
130.06531	41.4
131.06923	0.7
132.04459	27.8
147.09166	1.1
148.07556	1.2
157.07622	21.5
158.06021	65.2
159.06348	0.8
175.08676	100.0
176.07121	1.8
176.08972	0.6
186.05540	1.7
203.08249	1.6
204.06554	5.1
221.09225	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	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.96556	1.0
60.69064	0.6
69.64218	3.0
74.02438	1.2
82.02944	2.2
94.06573	4.1
97.02905	0.7
98.97562	2.1
103.00624	1.1
112.99129	1.5
115.05427	0.8
117.02200	1.1
120.08121	1.5
121.01711	1.2
123.68223	0.7
130.06528	79.0
130.08592	2.3
131.00185	0.7
132.04456	40.3
135.03218	1.8
147.09178	0.8
148.07530	3.5
156.05602	0.7
157.07620	57.8
158.06015	80.6
159.09146	1.0
161.04677	1.0
163.02718	1.4
173.04771	0.9
175.08670	100.0
176.07156	1.0
176.09007	1.3
185.07121	1.2
186.05507	3.1
191.03983	1.1
191.05739	1.1
203.08148	34.3
204.06601	3.9
219.94733	0.6
221.06953	6.6
221.09219	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.37743	0.2
52.86972	0.2
53.69613	0.1
57.64920	0.2
70.79580	0.3
70.79905	0.2
72.08135	0.2
98.06876	0.2
103.05485	0.3
105.07053	0.2
112.14242	0.2
118.06546	7.2
119.07360	0.2
119.08581	0.2
120.08124	0.2
131.04958	0.9
132.08083	1.7
133.08911	1.0
134.09671	0.5
144.08034	0.3
146.09633	2.0
147.10458	0.3
160.11162	0.4
162.09143	4.9
163.09915	0.2
164.72023	0.2
174.12845	0.3
176.10748	3.1
176.14351	22.9
177.11504	1.0
190.12257	2.3
202.15904	0.9
205.15971	0.3
220.16965	100.0
221.17236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.13571	0.5
55.01888	1.0
55.05511	0.9
56.96577	1.3
57.07080	5.6
59.05002	3.8
65.03907	0.5
67.05511	5.6
69.07074	4.6
70.02957	6.4
70.77643	0.6
70.77967	1.2
72.04522	15.9
72.08157	1.0
73.02921	4.2
74.02441	2.4
81.07044	1.1
83.04995	1.6
85.02901	0.7
85.06548	10.3
86.09710	2.2
87.04494	0.8
87.08114	1.4
89.08239	0.6
90.05560	100.0
95.04959	6.5
96.08147	1.8
98.02422	16.0
98.06045	1.5
98.09767	0.7
98.97560	1.5
100.03991	3.0
103.03905	0.6
103.07591	7.8
104.04301	0.9
113.06013	3.4
116.03461	13.9
124.07594	17.9
128.01250	0.5
130.08641	1.0
131.07019	0.9
134.03615	0.7
140.10681	0.9
142.08640	7.1
144.10167	1.7
146.05992	1.3
156.10178	1.4
158.11775	3.8
160.09691	1.6
166.08640	2.6
172.05281	0.6
174.11241	2.1
184.09697	19.7
196.54643	0.8
202.10756	32.0
205.15906	1.4
220.07382	2.2
220.11810	46.6
220.17790	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	219.1745
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
50.01604	0.1
51.02376	0.1
51.58593	0.1
53.03943	0.8
55.01868	1.1
55.05511	5.5
56.96560	0.2
57.03432	0.6
57.07082	0.6
59.04998	0.2
64.68190	0.1
65.03930	0.8
67.05505	16.4
69.03425	0.8
69.07068	4.7
69.41628	0.8
71.04993	0.9
71.08620	0.2
74.72504	0.1
77.03955	0.5
78.04715	0.1
79.05494	18.5
81.03417	2.5
81.07056	16.3
83.04990	1.0
83.08624	2.0
85.06539	0.5
91.05482	19.6
93.07044	19.5
95.04963	2.4
95.08606	10.0
95.09234	0.2
97.06532	1.2
97.10165	1.2
99.08080	0.5
101.06020	0.2
103.05489	0.3
105.04513	0.5
105.06302	0.2
105.07033	8.2
107.04961	5.7
107.08595	10.6
109.06509	1.5
109.10159	4.3
111.08090	0.8
111.11715	0.2
113.09648	0.4
115.05453	0.4
117.07016	7.8
119.08580	8.0
121.06511	3.5
121.10145	7.6
123.08053	1.8
123.11688	0.6
125.09666	0.2
129.07018	0.1
130.07782	0.2
131.08568	12.5
133.10135	4.1
135.08090	0.7
135.11696	4.0
136.92093	0.1
137.09612	1.1
137.13283	0.2
139.11203	0.2
143.08588	0.1
145.10127	5.6
147.11627	0.8
149.09627	0.5
149.13234	0.6
153.12759	0.5
154.93205	0.2
159.11688	3.0
161.13245	1.0
163.11220	0.4
172.94255	0.4
173.13249	1.0
175.14874	0.6
177.12717	0.2
190.95303	0.3
191.14381	0.2
191.17937	0.5
199.14777	0.3
201.16393	3.0
203.14307	0.7
219.17439	100.0
220.17688	0.9
222.10966	0.1
230.19620	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	219.1745
Annotation	Solavetivone
Peak:m/z	Relative Intensity
51.00363	1.2
51.82227	1.0
55.05524	6.5
57.03419	1.6
57.07059	2.5
59.04986	3.1
61.26358	1.1
67.05511	9.0
69.07075	27.3
71.04990	6.1
71.08622	1.1
79.05494	6.2
81.07059	12.5
82.96308	1.0
83.08610	3.5
85.06522	2.5
91.05492	5.3
93.07042	14.2
95.04966	3.1
95.08610	27.2
97.06535	2.6
97.10174	2.1
100.99268	1.3
105.07044	18.3
107.08601	22.5
109.06514	4.4
109.10165	24.5
111.08079	2.6
111.11672	1.2
117.07013	2.9
119.08588	22.7
121.06480	2.1
121.10143	19.3
123.08078	2.7
123.11722	6.5
125.09628	2.3
129.62198	1.0
129.84523	1.0
130.07802	1.6
131.08563	5.7
133.10144	10.3
135.08052	3.6
135.11713	17.1
137.09637	11.5
137.13229	3.4
143.08582	1.4
144.09317	1.0
145.10141	20.7
147.11685	5.2
149.09627	10.1
149.13275	5.4
151.11163	2.5
154.93184	1.3
159.11682	9.2
161.09636	1.4
161.13255	9.4
163.11182	19.1
163.14894	1.3
173.13242	2.1
175.14825	7.1
177.12758	4.6
177.16391	2.5
191.18002	9.4
201.16417	18.3
203.14326	1.5
219.17451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03938	0.9
54.74960	0.6
55.05515	2.2
56.96548	1.3
57.07064	1.0
64.54782	0.5
67.05507	5.3
69.03423	0.7
69.07071	4.1
70.75424	1.3
71.05003	0.7
79.05490	5.0
81.07054	13.3
83.05002	0.9
83.08612	1.6
85.06554	1.0
91.05492	7.3
93.07046	26.3
95.04947	1.0
95.08607	15.0
95.65922	0.5
97.06509	2.0
100.66945	0.4
103.05461	0.5
105.07037	15.3
107.08593	24.2
109.06519	1.8
109.10157	15.1
111.08107	2.6
117.07012	5.5
119.08585	17.8
119.09322	0.5
121.06482	1.0
121.10145	13.2
123.08057	1.5
123.11720	1.6
125.09638	0.7
129.06999	0.9
130.07790	1.5
131.08572	13.0
133.10130	8.4
135.08041	0.8
135.11707	5.6
136.92140	0.7
143.08591	1.2
144.09308	1.4
145.10126	35.0
146.10876	1.5
147.11661	3.6
149.09595	0.9
149.13216	1.1
154.93228	1.1
156.20010	0.5
157.10130	1.5
158.10880	0.7
159.11700	29.1
160.12465	1.0
161.13255	4.5
163.11165	1.9
171.11668	0.9
172.94284	1.0
173.13271	15.6
175.14818	5.3
177.12761	0.7
177.16391	0.9
186.14098	0.6
191.14317	0.6
191.17955	2.6
195.95987	0.5
201.16385	100.0
202.16803	1.4
203.14255	1.0
219.17447	37.5
220.17940	0.5
239.37898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.01863	0.9
55.05514	6.3
56.96569	16.3
57.07059	2.7
59.04994	1.4
61.29392	0.9
63.22552	0.8
66.66813	0.9
67.05508	9.3
69.07075	8.0
69.24112	6.0
69.24535	2.3
71.04990	1.0
79.05149	1.0
79.05506	10.6
81.07057	21.4
83.04976	2.0
83.08606	3.1
88.86246	1.0
91.05486	10.2
93.06487	1.4
93.07044	23.0
95.04952	2.9
95.08611	23.3
97.06528	3.4
97.10172	1.5
98.97588	2.0
105.07032	20.9
107.08598	31.2
109.06511	3.9
109.10159	17.3
111.08070	3.7
117.07033	9.0
119.01896	1.8
119.08583	28.4
121.06503	3.1
121.10149	23.0
123.08047	2.2
123.11692	2.7
125.09617	1.3
129.07013	1.1
130.07843	1.1
131.08575	21.2
133.10143	14.3
135.08055	3.6
135.11697	9.6
136.92142	5.4
136.93135	2.5
137.09596	1.2
143.08533	1.7
144.09331	2.2
145.10130	46.3
146.05992	1.7
146.10857	1.4
147.11720	6.2
149.09613	1.8
149.13239	3.2
150.10426	6.0
151.11108	0.9
154.93202	10.7
154.94220	2.8
157.10114	1.9
159.11703	44.9
160.12430	1.1
161.02937	1.5
161.09630	1.8
161.13263	9.5
163.07506	1.2
163.11172	3.3
171.11728	0.9
172.12508	1.1
172.94200	18.0
173.13277	18.4
175.14833	9.9
177.12794	1.5
187.11156	0.9
190.95265	12.5
191.14256	1.9
191.17953	10.2
195.95863	5.9
201.16391	100.0
203.14297	10.1
208.96381	1.1
213.96869	7.1
219.07076	2.9
219.13866	6.2
219.17445	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
50.68590	0.6
55.01889	0.5
55.05523	0.6
56.96559	3.2
60.04527	100.0
65.03918	0.6
69.07062	1.4
69.69891	3.1
70.02956	1.1
70.06589	0.6
71.01362	1.2
72.08137	0.7
75.04498	0.8
79.05504	0.7
81.03436	0.7
81.07063	0.6
83.04993	0.8
84.04470	0.6
84.08121	0.9
85.02911	0.9
86.09706	66.4
87.05604	3.1
93.07050	0.6
97.02905	0.6
98.97583	10.7
101.00865	3.8
103.03956	1.1
105.07034	0.6
110.97563	1.1
115.02454	2.3
116.98634	4.1
118.92075	0.7
119.01921	4.7
119.08572	0.9
121.10159	0.7
126.09238	0.6
128.10716	2.5
128.98531	0.6
131.03450	0.8
132.10208	51.4
133.03464	4.5
134.99640	1.2
136.93129	3.5
137.02341	2.1
141.04034	0.6
143.01886	2.4
154.93221	0.8
154.94196	4.3
158.11749	0.6
158.99658	1.3
159.02960	1.1
159.04985	1.6
159.08136	0.5
161.02936	2.9
171.04967	5.7
172.93999	0.9
172.95386	3.7
173.12866	29.6
175.08777	0.9
177.00763	1.4
177.06026	0.7
187.34538	0.6
189.06100	2.4
189.09135	0.6
190.96416	0.7
201.12349	5.7
203.14307	2.5
219.01730	1.1
219.07150	21.8
219.13402	15.2
219.17410	10.1
220.13553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05508	0.8
56.96577	4.0
65.03939	3.5
65.39079	0.6
67.05508	1.2
69.44418	5.1
79.05482	1.0
81.07045	1.7
84.96030	1.3
85.02894	0.7
91.05489	100.0
92.05831	9.1
93.07047	1.3
95.08618	1.3
98.97593	25.9
103.05484	1.4
105.07037	2.5
107.08600	2.0
110.97569	0.8
112.99140	7.9
115.05450	5.1
116.06295	1.1
116.98634	5.8
117.07027	1.7
119.08572	1.8
119.18404	0.6
120.08073	0.7
121.10144	1.4
124.95452	1.2
128.06224	5.1
129.07014	20.2
129.07936	1.4
130.07841	1.0
131.00221	3.8
131.04913	3.6
131.08571	20.9
133.10117	2.6
137.05989	2.2
140.98665	0.9
141.07001	16.6
141.51683	0.7
142.96495	1.2
143.04944	1.6
143.08551	1.5
144.05679	2.2
145.06525	3.1
145.10120	2.3
146.07283	2.0
148.05209	1.2
149.01224	1.2
157.06506	10.6
158.07286	10.9
158.99670	9.8
159.04471	1.1
159.08067	15.0
159.11694	1.3
160.05246	2.0
161.05994	0.9
161.09633	1.7
161.13290	1.2
163.07567	1.0
169.06488	7.4
169.07704	0.9
170.07378	3.2
171.04529	0.8
173.01245	12.5
173.05989	2.4
173.13226	0.9
174.06779	41.8
175.07571	6.1
177.00700	4.5
183.67447	0.7
184.97578	2.0
185.06015	0.8
186.06792	10.0
188.08351	2.0
189.09123	53.3
191.02299	5.0
191.07022	1.0
191.10721	4.0
201.00758	2.6
201.09103	22.9
201.16357	1.9
202.98653	2.6
203.14349	1.1
219.01762	1.6
219.10175	69.7
219.17421	9.7
226.98718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.25492	0.8
55.05499	0.9
56.96553	2.4
57.03424	1.0
63.59039	0.7
67.05496	1.5
69.07056	1.3
70.84758	1.9
79.05476	1.4
81.07042	1.6
86.09682	1.5
91.05482	8.4
93.07021	1.7
95.08566	1.6
98.97615	3.9
103.05455	1.4
104.61484	0.7
105.07053	2.4
107.08563	1.0
115.05466	5.3
116.06223	2.6
116.98553	1.3
117.06990	2.5
119.08578	1.6
120.08095	1.3
121.10145	1.7
128.06198	7.4
129.07014	32.1
130.07739	3.0
131.04958	5.6
131.08580	26.9
133.06462	0.9
133.10129	1.7
135.08044	1.0
135.11658	1.1
136.92087	0.9
137.05963	3.7
141.06999	25.6
143.04936	1.5
143.08548	2.2
144.05685	3.3
145.06468	4.5
145.10115	2.3
146.06073	1.5
146.07262	3.6
147.08063	0.9
148.05219	1.4
157.06494	19.5
157.07755	1.0
158.07289	14.0
158.99585	1.0
159.02930	1.1
159.04381	1.9
159.08063	20.6
159.11664	1.7
160.05217	3.3
161.09644	3.1
163.07558	1.9
168.05653	0.9
169.06459	12.7
169.07605	1.1
170.07263	4.8
171.08159	0.9
172.94164	1.2
173.05989	3.6
173.09535	1.0
174.06779	58.6
175.07516	8.9
175.08830	0.9
175.14771	0.9
177.00627	0.8
183.08076	1.1
186.06786	13.0
187.07497	1.9
188.08376	2.5
189.09116	74.5
191.07028	1.5
191.10693	7.1
201.09109	32.9
201.16405	1.8
203.14308	6.0
219.06807	2.5
219.10164	100.0
219.17421	18.8
220.10384	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.64190	0.6
55.01871	0.9
55.05498	2.3
56.96570	3.5
57.03428	1.6
57.07061	0.9
59.04998	0.7
67.05519	4.5
69.03429	1.2
69.07061	2.7
71.04984	1.8
71.53200	0.9
72.02650	0.7
79.05488	3.5
81.03392	0.7
81.07054	7.1
83.04984	1.7
83.08601	1.1
83.35831	0.6
85.02880	1.9
86.41712	0.7
91.05476	10.7
93.07065	4.2
95.04990	1.3
95.08613	6.0
97.06519	0.9
98.08815	0.7
98.97593	5.5
103.05451	3.3
105.07035	10.8
107.04961	1.1
107.08581	5.3
109.06505	2.7
109.10163	4.0
111.04390	0.8
115.05448	7.0
116.06199	2.5
116.98617	1.5
117.07005	6.0
119.08592	7.5
121.06468	1.3
121.10129	5.3
123.11717	1.0
128.06232	6.3
129.07010	31.2
130.07761	2.8
131.04929	5.9
131.08565	30.5
133.06459	1.0
133.10120	9.4
135.08046	2.5
135.11690	2.0
137.05960	3.2
141.06995	24.9
143.04921	1.6
143.08548	2.4
144.05702	4.8
145.06508	4.8
145.10120	8.7
146.06087	1.5
146.07263	3.0
147.08061	1.2
147.11684	2.2
148.05183	0.8
149.09555	1.1
149.13251	0.9
150.88809	0.7
153.01285	0.8
154.93213	1.6
157.06487	15.8
157.07730	1.1
157.10159	1.3
158.07274	15.9
159.04449	2.3
159.08055	17.8
159.11699	9.9
160.05183	3.8
161.05940	1.4
161.09627	3.7
161.13219	2.1
162.06708	0.9
163.07552	1.4
163.11180	1.5
169.06477	9.5
169.07709	1.2
170.07321	5.3
171.07944	1.2
172.94231	2.0
173.05928	4.0
173.09622	0.9
173.13229	4.0
174.06769	52.9
175.07480	8.0
175.14854	1.2
175.25278	0.8
177.07465	0.8
177.12747	0.9
178.07521	1.1
183.11736	1.3
185.06113	0.8
186.06755	13.0
187.07520	1.8
188.08330	3.3
189.09111	73.8
191.07021	1.4
191.08836	1.1
191.10649	6.1
191.14279	0.9
191.18004	1.0
195.95879	1.0
201.09109	30.8
201.12744	3.1
201.16403	7.2
203.14336	4.6
219.10158	100.0
219.13768	8.1
219.17424	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.96550	1.1
57.03430	1.1
59.94550	0.7
65.03929	1.2
65.46253	0.7
65.83593	0.7
67.05479	0.8
69.42125	1.2
69.42528	3.8
71.04993	0.6
78.83650	0.6
78.98518	0.7
79.05483	1.2
81.07066	1.3
91.05490	29.6
92.05833	1.4
93.07044	1.4
98.20823	1.3
98.97585	7.6
103.05468	1.3
105.07009	1.9
112.99117	1.2
115.05457	6.8
116.06226	2.1
116.98652	0.7
117.07010	3.1
119.08586	1.4
121.10069	0.7
128.06219	6.1
129.07016	33.1
130.04248	0.7
130.07765	2.5
131.04913	5.9
131.08575	26.0
133.06519	0.8
133.10104	2.4
135.11668	0.8
137.05974	2.8
141.06999	27.9
143.04924	1.3
143.08566	1.8
144.05737	4.2
145.06462	4.1
145.10138	1.3
146.07256	3.0
155.06009	1.4
157.06511	17.4
157.07764	1.1
157.08769	0.6
158.07285	16.0
158.99606	1.5
159.04434	2.8
159.08070	21.5
159.11685	1.3
160.05241	3.5
161.06033	1.2
161.09628	2.7
163.07530	1.6
168.05681	1.0
169.06476	11.3
169.07690	1.2
170.07280	6.0
171.08110	0.9
172.18756	0.9
173.01193	2.6
173.05930	3.5
173.09660	0.9
174.06783	59.5
175.07538	8.4
177.00732	1.3
185.06055	1.2
186.06784	13.1
187.07567	1.3
188.08311	2.8
189.09123	73.1
191.07065	1.3
191.10681	5.3
201.09123	30.1
201.16345	1.7
202.98665	0.7
203.14291	2.1
219.10173	100.0
219.17398	7.7
220.10449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84843	13.4
65.62696	13.8
69.50861	100.0
70.06592	15.5
83.57567	14.0
83.71282	17.0
84.08139	21.5
102.09209	20.4
104.13276	14.9
218.45425	15.3
219.02637	86.7
219.07120	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	219.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
56.45951	0.3
56.96560	0.8
69.65661	2.3
71.01357	0.4
72.08144	0.5
82.99828	3.1
83.04963	0.9
85.01422	0.8
86.09711	0.5
97.01390	1.0
98.97603	2.1
101.00884	20.2
103.02448	0.6
111.02930	0.6
113.00862	0.8
115.02439	14.7
116.98619	1.1
119.01926	21.4
129.03999	2.7
131.01875	1.5
133.03474	17.7
137.02954	1.9
141.03970	1.1
143.01900	10.1
147.05049	1.7
147.66991	0.4
151.04491	1.2
153.03943	3.7
154.94174	0.6
157.03502	1.3
159.05048	4.5
161.02962	15.3
171.05042	28.8
173.02936	0.7
175.04552	2.7
177.04726	0.4
177.06038	2.1
189.06091	10.0
194.19278	0.4
195.07147	1.5
201.02438	3.0
201.06088	1.5
219.03583	2.8
219.07147	100.0
219.17439	1.0
220.07336	1.0
237.08212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
55.05518	7.8
57.07059	1.0
67.05507	15.6
69.07076	7.8
71.14884	1.6
79.05495	8.9
81.07059	32.3
83.04989	6.1
83.08614	3.2
91.05490	7.4
93.07049	22.3
95.08614	39.6
97.10136	1.2
101.05998	2.4
105.07041	28.8
107.08601	37.1
109.10165	36.3
109.10729	0.5
109.10938	1.0
111.04462	6.8
113.05994	1.4
116.74457	0.7
119.08588	23.5
119.09468	1.2
121.10153	36.0
123.11718	16.5
127.07583	1.1
133.10135	13.0
135.11702	15.7
137.13249	1.7
145.10170	1.0
147.11696	22.1
149.13261	5.5
155.07050	6.2
159.11711	1.1
161.13269	56.6
173.08101	5.3
175.14838	6.2
189.16405	2.8
192.71857	0.9
217.10623	2.8
217.19530	100.0
218.19952	1.0
234.51523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03946	1.8
53.74546	0.8
55.01873	1.9
55.05511	24.3
55.97663	1.0
56.96561	1.2
57.03445	5.0
57.07077	2.0
58.80786	1.2
59.90333	1.1
67.05505	28.3
69.03400	2.5
69.07068	28.4
70.06595	1.2
70.87794	2.6
71.04996	14.4
74.09711	1.4
74.85883	1.0
77.48892	1.5
79.05493	15.3
81.07057	77.3
83.04976	5.1
83.08620	20.3
85.06547	23.4
85.07047	1.0
85.53182	1.1
87.04465	1.3
90.94833	1.8
91.05484	22.8
93.07047	22.5
95.04955	1.5
95.08607	100.0
96.08950	1.9
97.06536	26.6
97.10175	10.2
98.97590	1.9
98.98448	2.5
99.08089	10.8
101.06011	1.6
105.07032	35.1
107.08590	12.0
109.06525	3.9
109.10155	10.7
111.08066	4.4
111.11779	1.1
113.09640	2.8
115.07560	2.5
117.06989	3.0
119.08585	38.2
121.06491	2.5
121.10146	12.4
123.08057	7.1
123.11739	1.0
129.07030	3.1
131.08594	7.1
132.95830	10.2
133.02812	2.5
133.10132	26.0
135.11691	20.4
137.09616	3.5
137.13240	18.1
139.01538	2.5
141.06990	2.5
141.09082	1.8
143.08562	3.5
145.10126	4.5
149.13239	1.1
149.96095	2.1
150.96887	9.2
151.14783	2.2
155.08589	4.3
157.10123	3.3
159.04443	2.2
159.08023	1.9
159.11691	3.8
161.02350	6.2
161.13258	81.9
167.08691	1.2
169.10135	4.3
171.11623	2.7
173.02351	14.9
173.09668	2.6
173.13287	2.2
179.14314	41.2
182.10931	1.3
186.03087	1.2
187.07545	2.1
187.11226	2.5
187.14909	1.4
191.97151	4.9
197.09615	2.4
197.13280	6.3
197.15384	17.1
209.98248	2.3
215.07060	10.4
215.10727	8.7
215.14276	8.2
215.17982	5.1
215.59242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03947	0.6
55.01873	1.0
55.05512	17.7
57.07090	0.9
59.05016	1.6
67.05497	5.0
69.03434	2.7
69.07069	9.9
69.28410	0.7
70.09917	0.6
71.04998	1.3
73.02912	0.8
79.05499	2.7
81.07060	5.5
83.04984	19.5
83.08606	3.5
85.06560	1.9
85.98035	0.6
87.04472	2.0
89.02409	2.2
89.06042	5.0
91.05480	4.8
93.07038	4.7
95.04959	3.9
95.08607	6.3
97.06550	1.6
98.21527	1.5
99.04470	1.3
101.06023	8.7
105.07033	10.0
107.08596	9.3
109.06512	2.7
109.10145	5.7
111.04443	38.1
111.08088	1.4
113.06005	3.1
113.35652	0.7
115.05462	1.1
117.07045	2.4
119.08582	23.9
121.06526	1.4
121.10160	6.1
123.08081	1.1
127.07564	4.6
128.06223	4.9
129.05478	5.4
129.07019	4.3
129.12831	0.7
130.07797	1.0
131.04906	0.7
131.08578	6.2
131.29082	0.6
133.06516	2.6
133.10124	13.1
135.08044	1.4
135.11691	1.3
137.09644	0.7
142.07759	2.3
143.08546	4.8
145.06516	1.8
145.10109	6.7
146.07243	1.7
147.08072	3.8
147.11691	6.0
148.08809	2.0
149.09624	2.5
155.07034	36.4
156.05699	2.4
156.09341	1.6
157.06473	0.9
157.10114	7.1
158.10895	1.6
159.11710	5.1
161.06097	1.3
161.09612	12.6
161.13286	1.5
169.10185	0.6
171.08037	1.3
171.11690	3.4
173.05972	1.3
173.08105	30.3
173.13266	7.5
174.06784	10.3
175.11201	5.0
175.14807	5.2
175.59668	0.7
184.12456	1.5
187.14833	1.9
189.09109	100.0
189.16347	5.1
190.09456	1.5
199.09732	3.5
199.11308	0.8
199.14825	7.7
217.08575	46.8
217.10701	30.0
217.15872	55.8
218.09032	0.8
218.16159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99460	1.6
53.64024	1.3
55.05513	46.7
57.03418	3.5
57.07066	2.0
67.05177	2.5
67.05507	27.9
67.05848	3.3
69.03439	2.3
69.07071	49.4
70.88033	4.9
70.96825	1.5
71.04978	4.5
73.05690	1.4
73.06540	3.1
74.41060	1.5
79.05488	13.9
81.07059	77.0
83.04962	6.2
83.08148	2.6
83.08622	34.2
85.06532	6.2
91.05482	12.0
93.07050	17.3
95.04922	1.7
95.08611	100.0
97.06535	15.8
97.10179	13.2
98.97577	2.0
99.08076	5.2
101.06026	1.7
105.07039	17.3
107.08591	7.6
109.06499	2.7
109.10130	8.5
111.08076	3.2
113.06036	1.6
115.07577	3.5
119.08581	27.3
121.10170	7.8
123.08047	8.5
127.07524	2.8
132.95815	1.8
133.10132	16.7
135.11665	15.4
136.36798	1.4
136.38020	1.5
137.09607	4.6
137.13266	22.2
141.09200	1.8
147.10037	1.6
154.08624	2.1
159.07906	2.0
161.13257	51.8
179.14340	12.0
196.16972	14.0
214.18031	85.9
222.54959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1644
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.03933	2.1
55.01872	3.6
55.05276	1.7
55.05516	24.4
55.68430	1.7
55.93862	1.3
56.96573	6.9
57.03418	2.9
57.07055	2.6
63.41708	1.5
63.42744	1.5
67.05505	31.8
69.03420	2.1
69.07072	29.9
69.82890	3.1
69.83281	3.1
70.06613	1.6
71.05003	10.7
72.08167	1.9
74.09714	5.7
76.01466	1.4
79.05492	16.0
81.07057	78.7
82.07427	1.7
83.04966	5.7
83.08620	19.4
85.06546	24.2
90.94819	2.1
91.05495	17.1
93.07053	21.4
95.04981	2.8
95.08611	100.0
97.06532	26.6
97.10190	8.4
98.20846	2.4
98.97575	32.9
98.98458	6.2
99.08115	10.9
101.05998	2.1
103.16821	1.5
105.07036	27.3
107.08599	12.8
109.06509	4.3
109.10149	12.1
111.08070	5.1
113.09631	1.7
115.07588	2.3
115.23902	1.4
116.05306	2.1
116.98632	10.8
117.06999	3.3
119.08588	36.6
121.10120	10.9
123.08076	7.7
126.09179	2.3
127.07539	2.1
128.14343	3.6
131.08569	5.3
132.95869	14.8
133.10136	29.3
134.99663	2.6
135.11710	18.6
137.09631	3.3
137.13263	18.0
139.01591	10.5
140.00192	1.9
141.06956	2.4
145.10153	3.6
149.96083	2.3
150.96907	14.5
153.07011	1.8
155.07173	1.6
157.10094	2.4
158.99673	9.8
159.08116	2.0
159.11664	3.2
161.13264	74.2
161.14622	3.6
163.54021	1.5
173.02267	2.1
173.09518	1.7
177.00706	7.0
179.14322	40.6
183.08630	1.7
187.14868	3.2
191.97165	6.5
197.13435	2.8
197.15337	16.8
198.11208	1.8
209.98260	2.2
214.95224	1.5
215.07071	6.2
215.10670	3.4
215.14333	9.2
215.17789	9.5
216.12259	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	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.0
55.98517	1.0
56.96297	1.3
56.96564	19.1
57.03427	2.6
57.66278	0.7
58.06590	1.3
61.02924	4.4
68.89180	0.8
69.03431	5.2
69.07067	10.4
69.07640	0.8
70.06596	3.2
70.98135	1.4
71.04987	1.6
71.53090	1.2
72.08152	5.2
73.02910	3.6
80.51980	0.8
81.03402	1.3
82.01421	0.9
82.99845	5.2
83.04973	0.8
84.08158	5.1
84.96057	0.9
85.02903	7.6
86.09708	86.0
87.05532	0.8
87.70216	0.7
95.03453	2.1
96.01595	0.8
97.02888	5.3
97.06528	10.4
98.97589	12.0
99.04430	2.0
100.02470	4.0
100.99161	4.5
101.00881	46.3
102.01007	1.0
102.96893	1.0
103.00625	1.0
110.07190	1.0
110.97588	5.8
111.02966	1.3
112.07642	1.3
112.99162	5.2
113.00803	1.9
114.04022	0.9
115.02407	1.9
115.03287	0.8
116.98640	4.3
118.02778	1.3
118.03515	10.6
119.01923	100.0
120.02023	2.3
124.05534	0.8
126.04043	0.9
127.02422	0.9
127.03927	2.6
127.08652	1.1
128.02316	1.5
128.98619	3.1
130.03505	1.9
131.00198	3.7
131.01892	6.0
131.03581	0.9
133.03467	3.2
133.05135	1.2
133.06046	5.1
136.04549	2.3
136.06160	1.6
136.93155	1.1
137.02959	20.1
137.04555	0.9
139.03329	1.9
140.04198	0.9
142.01848	1.1
142.03517	2.1
143.01941	2.5
144.05086	2.7
144.08749	2.0
144.98099	1.6
145.01698	1.3
145.03476	2.0
146.04074	1.2
146.05084	1.8
146.99654	2.1
147.03250	1.1
147.05026	3.5
148.03880	2.9
149.02982	0.9
154.03502	1.8
155.01866	0.8
155.04591	13.4
158.99699	4.7
160.06398	1.5
161.02953	1.7
162.09770	1.2
162.99158	1.7
163.02702	0.9
163.04488	1.4
164.05270	2.2
165.00746	2.2
165.04219	1.3
165.06165	1.1
168.05212	0.9
168.08644	4.7
169.04430	3.9
171.05006	1.2
172.02924	1.0
172.04633	3.1
172.08122	0.8
172.95299	1.2
172.97638	1.7
173.03047	1.8
173.06610	7.2
177.00771	1.9
178.04932	1.9
186.09764	59.3
189.06145	2.4
190.98557	4.2
191.02263	1.3
191.03999	2.4
191.06046	1.3
191.07649	7.7
193.03969	1.5
196.04457	1.3
196.08186	2.9
197.06628	5.0
204.10825	18.8
208.99652	5.3
209.11263	0.9
214.00197	1.2
214.03793	1.9
214.05679	1.4
214.07640	4.0
214.09290	35.0
214.14355	1.1
215.07654	7.0
215.13937	0.9
219.01758	1.2
232.10316	79.9
233.08710	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03943	2.3
55.01862	4.5
55.05513	14.9
56.96567	15.4
57.03424	4.2
57.07067	4.4
59.04982	1.8
61.02919	2.7
67.05510	38.6
68.99792	2.2
69.03411	3.6
69.07072	37.2
69.44203	2.9
69.44600	7.1
70.06591	4.2
71.04996	42.8
71.08637	1.6
71.95262	1.5
72.08125	1.9
72.32531	1.4
73.06508	1.5
79.05499	15.1
81.03411	5.6
81.07064	44.4
83.04958	3.8
83.08622	9.9
85.06533	5.5
86.09719	1.5
87.00851	1.7
88.07639	2.7
91.05466	5.1
92.84295	1.2
93.00333	1.3
93.07047	24.8
95.04987	2.0
95.08607	32.0
97.02891	1.9
97.06533	11.9
97.10159	4.3
98.97588	12.0
99.04445	2.6
99.08109	7.3
105.07008	4.1
105.13608	1.5
107.04922	1.9
107.08602	28.1
109.02872	4.7
109.06498	1.8
109.10162	100.0
110.97541	2.6
111.02108	1.9
111.08076	3.7
111.11724	2.8
113.09617	3.3
116.98586	3.5
117.03827	1.7
117.07059	1.2
119.08598	1.6
121.09342	2.9
121.10152	37.0
123.03876	2.3
123.11718	10.6
125.05986	1.6
125.09607	4.6
125.13245	2.2
127.03906	8.7
127.11152	4.2
128.06189	1.8
129.07002	2.5
130.96227	1.8
131.00134	1.4
131.08513	1.5
132.04411	7.2
135.08105	2.0
135.11705	27.7
137.13258	6.1
139.11145	3.3
140.00241	1.5
141.04903	1.8
142.07785	3.1
143.08585	2.8
146.09694	1.3
146.99675	2.7
149.13264	5.2
151.03752	1.3
152.06184	1.6
153.05504	2.1
153.12772	14.9
157.06433	2.3
157.10135	5.4
159.11687	1.7
163.07454	1.3
165.03081	1.7
167.07036	2.9
167.08556	2.0
171.08038	1.6
171.11710	2.2
172.97556	2.4
177.12828	2.5
177.16391	33.0
185.07259	1.6
185.09607	3.7
190.98669	4.1
195.13826	2.2
195.15607	2.3
195.17451	43.8
207.98703	1.9
213.03737	1.6
213.05511	5.4
213.09079	10.1
213.12732	5.8
213.16394	6.5
213.18498	25.9
214.98560	4.1
232.99666	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	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05515	10.1
55.20052	0.6
56.96304	1.3
56.96569	21.9
57.03400	0.8
57.07078	5.8
67.05506	8.7
69.03421	1.2
69.07075	10.2
70.06565	0.8
70.22143	2.8
70.97799	0.8
70.98128	10.5
71.04971	1.2
71.08614	2.1
71.68140	0.7
74.06109	0.9
75.32774	0.7
79.05507	7.4
81.03412	0.8
81.07063	7.6
83.04979	1.8
83.08617	5.7
86.86747	0.7
88.07620	2.1
88.99165	3.1
91.05483	6.5
93.07043	8.2
95.04955	1.0
95.08611	3.8
97.06541	1.3
97.99142	0.8
98.97574	1.6
99.06602	0.9
99.08067	1.2
103.05476	1.3
105.07034	38.0
107.00177	0.8
107.04985	0.9
107.08592	7.1
109.06492	1.2
109.10192	3.3
110.97547	1.5
111.08089	1.0
116.98623	1.4
117.07018	2.3
119.08588	37.0
121.10152	10.0
128.06204	5.6
128.98654	1.4
129.05608	0.9
129.07030	5.7
131.05409	2.2
131.08611	3.6
131.09436	0.7
132.05211	1.1
133.10147	5.9
135.11687	1.0
136.06461	1.0
136.33363	0.7
139.07632	0.7
140.05954	2.1
141.05685	1.9
141.07004	2.6
142.07791	9.8
142.56230	0.8
143.08562	34.5
145.05077	1.7
145.10115	4.4
146.99614	1.0
148.97372	0.8
149.13258	1.9
150.06209	2.2
151.06966	2.1
151.56851	0.8
153.39177	0.7
155.07251	1.0
155.08565	1.7
156.09349	7.7
157.10133	42.3
158.10916	1.0
159.06781	1.4
159.11813	1.2
160.07516	2.8
165.07120	0.8
167.09032	2.3
169.10118	2.4
170.09590	1.1
170.10822	3.4
171.11699	37.5
172.12286	0.9
172.16968	8.3
174.09853	1.0
176.09612	3.9
176.59735	1.2
183.10349	8.3
183.11742	3.7
183.60603	1.1
184.12433	2.2
185.10133	3.4
185.13258	5.2
185.60168	1.6
187.06378	1.1
187.60376	1.0
192.10901	11.9
192.61101	2.7
194.61227	2.5
195.06572	2.1
195.11642	1.3
198.14052	5.0
201.11475	6.3
201.61592	1.3
203.05850	0.7
203.61720	3.1
204.11844	0.7
205.07506	1.2
211.06339	1.1
212.62282	1.6
213.05408	2.0
213.07214	1.0
213.12819	5.7
213.16394	100.0
214.16670	1.4
214.25194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.63131	1.5
53.03939	4.2
54.10833	1.9
55.01855	4.0
55.05518	18.0
56.96563	8.7
57.03449	12.3
57.07077	11.4
67.05510	76.8
69.03429	4.0
69.07075	29.9
69.81782	4.0
69.82195	5.3
70.06595	2.4
71.04993	14.1
73.02901	1.8
75.28499	1.6
79.05501	47.9
81.03413	5.7
81.07063	100.0
83.04990	11.3
83.08629	20.2
85.02921	2.8
85.06534	5.8
85.10177	2.2
88.07623	4.8
91.05483	21.7
93.07043	64.0
95.04964	7.5
95.08615	30.2
97.02936	2.0
97.06525	18.2
97.10162	4.1
98.97546	3.5
99.04410	2.2
99.08102	4.1
105.07040	11.9
107.04999	3.5
107.08609	36.1
109.02866	3.9
109.06529	4.8
109.10205	4.4
111.08105	8.8
117.07028	14.0
119.08619	8.0
121.06496	3.3
121.10159	19.2
123.08091	2.1
123.11720	5.9
125.09599	3.8
127.03934	8.2
129.07010	5.4
130.96309	1.8
131.08588	12.5
132.59308	1.6
133.10141	17.6
135.08060	2.2
135.11711	19.1
142.07777	5.2
143.08586	6.3
145.10143	5.8
148.05862	1.6
148.97311	1.8
149.01218	2.4
149.09656	2.3
149.12070	2.1
149.13261	44.3
151.11194	2.2
153.09070	2.2
156.09279	2.1
157.06532	2.0
157.10117	15.1
159.11707	19.9
167.14342	3.0
169.10164	2.3
171.11664	12.7
177.12758	10.6
177.16463	2.0
183.91621	1.8
185.07166	3.0
185.09615	2.8
185.13306	1.9
195.06543	2.7
195.13844	15.0
199.21976	1.7
213.05486	7.1
213.09320	9.3
213.10915	3.0
213.12810	11.0
213.14697	6.8
213.16452	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	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
51.04882	0.7
53.03943	1.6
55.01871	11.0
55.05512	50.8
57.03414	1.1
57.07069	1.2
59.04985	1.7
67.05505	21.9
69.03426	5.6
69.07066	10.1
70.04738	1.9
70.05131	2.0
70.18497	0.7
71.04993	50.8
79.05083	1.0
79.05495	13.7
81.03406	1.6
81.07052	21.6
81.09917	0.8
83.04994	5.0
83.08619	31.1
85.06548	5.5
87.04480	8.2
91.05470	4.3
93.06487	1.2
93.07040	15.4
95.04936	1.0
95.08614	8.1
97.06531	72.5
97.10171	44.1
101.06015	1.0
101.09646	1.4
105.07008	2.3
107.04978	1.0
107.08595	17.1
109.06499	1.7
109.10152	12.7
111.08064	4.1
117.06998	4.4
121.06476	1.8
121.10126	2.8
123.11595	0.7
125.09634	30.9
127.03882	1.5
129.06993	0.8
131.08549	4.9
132.72267	0.9
133.10114	3.5
135.08064	5.1
135.11681	4.9
142.17877	0.8
143.08598	1.1
147.11673	0.9
149.09637	1.8
149.13266	3.9
153.09059	1.7
157.10109	1.5
159.11729	4.0
167.06981	1.0
167.14470	1.1
171.10181	1.2
177.12750	5.9
189.11234	4.8
195.12001	1.7
195.13806	34.7
213.14838	100.0
214.15187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
55.01877	2.6
55.05515	21.8
56.96574	27.9
57.03444	23.2
57.07074	8.7
67.05508	77.8
69.03411	3.6
69.07076	29.3
70.98125	7.8
71.01350	6.5
71.05000	11.5
71.08617	2.3
71.54951	2.5
77.03942	2.4
77.13294	1.9
79.05498	62.7
81.03420	9.4
81.07065	47.2
82.07374	4.7
83.04980	22.4
83.08625	9.2
85.02905	3.7
85.06545	9.1
88.07635	7.3
88.99109	2.1
91.05489	31.5
93.07047	76.1
95.04996	5.9
95.08610	19.2
96.08902	2.6
97.06530	20.6
97.09276	2.5
97.10182	9.5
98.97556	4.5
99.04451	3.3
99.08108	4.7
101.58159	2.3
105.07040	12.3
107.04966	10.4
107.08598	42.7
109.06548	2.3
109.10163	12.6
111.08073	5.4
113.51190	3.3
115.00507	5.0
117.07021	12.7
118.50440	3.2
119.08591	19.6
119.99719	6.5
121.00504	6.7
121.06574	3.0
121.10155	24.2
122.51659	10.3
123.49564	3.3
125.05997	3.7
125.09641	2.9
127.50880	14.5
128.01274	4.8
128.06247	3.2
129.00224	43.9
129.07022	6.9
131.08556	3.2
133.10117	7.1
135.04405	2.2
135.11700	100.0
136.12080	2.4
136.51392	32.8
137.01692	2.7
137.09633	4.8
138.00745	9.7
139.01643	3.7
140.01155	2.4
140.51018	3.9
141.07013	3.1
141.50615	15.9
142.07819	4.9
143.08585	15.9
144.00876	3.1
144.02568	7.6
145.10118	23.8
145.51921	2.7
147.08073	2.2
148.02176	3.9
149.01787	5.0
149.05965	2.7
149.09564	2.2
149.13271	7.5
150.51146	98.2
151.01404	5.4
151.03914	2.6
152.00528	2.2
153.01402	7.6
153.12753	5.6
156.09340	4.5
157.10126	18.8
158.02318	58.6
159.11681	3.6
159.51682	37.7
160.52592	11.7
161.13280	2.3
162.01945	36.1
163.03935	7.7
163.11205	17.0
167.02855	75.9
167.53015	3.3
169.53120	80.4
170.03311	6.6
170.10881	2.8
171.02499	6.4
171.11713	12.2
172.03339	3.4
173.52765	7.1
176.03444	6.1
177.05482	2.9
177.16330	2.5
178.53645	80.2
179.03613	2.2
181.03905	29.8
181.12244	27.1
181.15082	3.7
182.53287	2.2
183.11627	3.4
185.10036	3.5
185.13313	2.8
187.54150	2.9
190.04471	11.0
192.54735	7.7
195.06546	4.7
195.10097	2.9
195.11728	5.1
195.13722	5.0
198.10432	2.5
201.55235	3.0
213.12987	19.6
213.14729	2.3
213.16348	34.3
214.25233	2.5
219.40919	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.55114	1.6
53.03939	4.1
55.01874	31.4
55.05514	64.2
56.96551	6.9
57.03420	4.1
57.07060	2.9
67.05507	59.0
68.17570	1.6
69.03436	11.7
69.07073	23.6
70.06583	10.5
71.04614	3.3
71.04998	63.2
72.08168	8.2
72.91416	1.9
73.02948	3.3
73.06545	2.5
79.05080	3.2
79.05497	39.6
81.03419	8.4
81.07059	80.1
83.04990	47.7
83.08157	2.7
83.08620	35.2
85.02894	6.7
85.06540	11.9
86.09706	13.1
87.04468	8.2
88.07641	2.5
88.64584	1.9
91.05490	19.5
93.06496	3.5
93.07050	54.5
95.04950	6.8
95.08612	39.1
97.02871	4.9
97.06535	99.2
97.10171	44.2
98.97582	12.0
99.04462	4.2
99.08068	5.0
105.04512	2.1
105.07035	12.2
107.04941	2.6
107.08598	43.7
109.02851	4.6
109.06509	5.4
109.10154	20.4
110.97583	1.9
111.08108	8.3
113.06026	1.7
114.15230	2.2
116.07125	2.0
116.98606	2.0
117.07028	9.2
119.08582	9.5
121.06515	3.7
121.10157	17.5
123.08052	5.6
123.11686	3.1
125.09634	28.0
127.03926	9.6
128.06215	1.6
128.98581	2.2
129.07021	2.6
130.96362	2.2
131.08583	10.9
133.10136	10.6
135.08023	7.8
135.11696	19.2
137.09589	2.1
139.07504	2.1
142.07736	2.1
143.00160	2.2
147.11694	10.7
149.09608	6.4
149.13266	27.4
151.11150	2.1
153.09093	4.5
157.10110	3.6
158.99652	3.3
159.11670	12.2
165.12775	2.2
167.07117	2.1
167.10577	2.3
167.14336	26.0
177.00720	1.9
177.09315	2.2
177.12776	11.3
177.16364	2.3
181.06586	3.3
185.09619	2.6
185.13277	2.5
189.11235	5.1
195.06435	3.1
195.08089	2.3
195.13824	58.9
197.17265	1.7
213.05664	3.2
213.07721	14.9
213.09512	2.7
213.12767	5.3
213.14828	100.0
222.08414	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	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.09461	1.3
53.03928	4.4
55.01641	2.2
55.01873	25.5
55.05515	59.0
56.96571	7.7
57.03424	5.5
57.07061	3.4
59.04981	2.1
65.03642	1.3
66.28224	1.4
67.05506	53.0
69.03436	9.4
69.07067	24.1
70.06600	9.4
70.12302	1.4
70.64719	3.4
70.65057	1.3
71.04998	58.1
72.08142	6.4
74.28472	1.6
77.03925	1.5
79.05094	2.1
79.05502	36.9
81.03447	6.9
81.07059	67.0
83.04514	2.5
83.04987	45.9
83.08158	2.6
83.08624	36.6
85.02880	5.8
85.06565	12.9
86.09711	6.8
87.04468	10.6
88.07615	2.0
91.05482	20.1
93.07053	50.7
95.04949	4.7
95.08607	34.7
97.02869	4.2
97.06537	100.0
97.09575	2.1
97.10178	38.8
98.97591	11.2
99.04453	3.1
99.08076	3.7
105.07040	13.6
107.04932	4.2
107.07893	2.3
107.08605	41.7
109.02874	3.2
109.06512	4.4
109.10167	18.1
110.07130	1.6
111.08070	6.0
111.09240	1.4
113.05945	2.4
116.98587	3.3
117.07017	10.6
119.08573	6.1
121.06519	7.3
121.10146	19.0
122.87038	1.5
123.08055	6.3
123.11671	5.9
125.09635	29.8
127.03930	10.2
129.06952	1.9
130.96263	1.7
131.08592	10.5
133.10127	9.3
135.08046	6.5
135.11685	14.8
137.13269	1.7
139.07535	3.2
139.11122	2.5
147.11670	6.5
149.09624	4.9
149.12212	2.1
149.13272	28.3
153.09123	3.3
157.10065	2.6
159.11681	11.3
165.12659	2.4
167.07063	2.2
167.08650	1.7
167.14328	21.7
171.04871	2.3
171.10115	2.0
171.11647	1.9
177.12747	16.9
181.06587	2.3
185.09543	2.5
185.13310	2.0
189.11208	3.8
195.06587	2.5
195.13821	61.1
204.07181	2.0
213.03761	1.8
213.07550	9.5
213.09338	3.1
213.12663	7.4
213.14822	95.8
222.08330	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.05512	19.9
55.27603	0.7
56.57606	0.8
56.96561	2.2
57.03424	2.0
57.07073	10.3
59.05005	0.8
60.86029	0.7
67.05508	6.0
69.03427	1.3
69.07063	5.4
70.12250	3.0
71.04985	0.8
79.05489	5.2
81.07059	9.2
83.04977	8.9
83.08621	1.5
85.06553	5.5
88.07602	0.9
91.05473	5.1
91.56094	0.7
93.07050	15.9
95.04948	1.0
95.08612	11.9
97.06538	6.4
105.07029	5.3
107.04948	1.7
107.08604	20.9
109.06487	4.8
109.10161	3.7
111.04446	100.0
111.08099	3.0
113.06000	1.7
117.07001	2.4
119.08636	3.4
121.06514	3.7
121.10160	4.8
122.07292	1.3
123.08079	1.4
125.06001	28.2
125.95413	0.8
127.07565	2.5
128.06226	0.8
129.07033	1.6
130.07835	1.5
131.08601	1.4
132.33981	0.7
133.10155	1.0
135.08060	14.9
135.11697	22.8
137.13278	2.3
139.07549	5.1
142.07811	1.2
143.08566	2.8
145.10124	16.5
149.13158	1.0
153.12727	6.3
157.10129	4.0
159.11652	1.1
163.11185	26.8
171.11626	3.7
180.09395	0.8
181.12233	59.2
195.12085	1.4
195.13847	5.9
198.10507	0.7
213.12779	2.8
213.14781	2.0
213.16495	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03962	1.1
55.01888	0.8
55.05280	1.2
55.05519	17.7
57.03430	2.1
57.07085	10.1
67.05515	5.3
69.03436	1.2
69.07072	7.8
71.04995	1.7
71.54694	1.3
71.55064	0.8
72.71648	0.7
72.77767	0.7
79.05496	6.0
81.07052	8.1
81.72440	0.7
83.04987	9.1
83.08616	1.0
85.06544	4.4
88.07641	2.0
91.05477	4.7
93.07053	16.0
95.04982	2.1
95.08611	11.6
97.06537	5.9
97.10146	1.0
105.07034	7.4
107.04947	1.3
107.08604	22.8
109.06525	4.7
109.10154	3.2
111.04450	100.0
111.08096	4.6
113.06001	2.2
117.07020	2.0
119.08583	5.5
121.06475	3.5
121.10165	5.0
122.07346	0.7
123.08083	1.8
125.06004	30.3
127.07578	3.5
128.06270	1.1
129.07014	1.6
130.07800	1.7
131.08548	1.2
133.10167	1.0
135.08064	15.9
135.09021	1.3
135.11702	26.3
137.13260	1.6
139.07567	5.2
139.11188	0.9
140.56073	0.7
142.07811	2.1
142.52254	0.8
143.08583	4.4
145.10136	19.4
150.66718	0.7
153.12773	6.1
155.08578	1.0
156.09387	1.9
157.10156	5.6
163.11200	26.4
165.07028	1.2
167.07092	1.0
170.10907	1.8
171.08112	1.0
171.11723	4.9
181.12251	63.6
183.11688	0.9
185.13196	1.7
195.06589	1.0
195.11874	1.4
195.13832	5.1
198.10425	1.2
213.09123	1.1
213.13065	6.9
213.14862	1.8
213.16464	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03944	2.2
55.01878	8.3
55.05516	23.1
56.96553	4.0
57.03192	1.8
57.03444	18.1
57.07086	9.1
67.05509	54.5
69.03436	2.0
69.07072	31.6
70.41868	4.1
70.42221	1.6
71.01342	8.8
71.05000	7.7
71.08625	2.0
79.05498	51.5
81.03420	9.0
81.06600	2.2
81.07061	31.4
83.04984	29.5
83.08632	13.1
85.02917	3.2
85.06544	7.1
88.07632	5.9
91.05479	20.4
93.07050	62.8
95.04953	4.6
95.08604	9.8
97.06533	21.7
97.10174	12.9
99.04459	2.4
99.08083	3.3
105.07061	6.5
107.04961	3.4
107.08590	39.0
107.60716	1.6
109.10168	6.8
111.04424	2.6
111.08070	5.8
111.11713	3.5
115.05428	2.0
117.07028	11.6
119.08592	15.0
121.06507	1.7
121.10136	17.4
125.05973	1.9
125.09602	3.0
125.27741	1.6
126.27279	1.3
128.06171	1.9
129.06999	9.8
131.08565	5.0
133.10149	5.8
135.08051	3.3
135.11699	100.0
137.09686	2.1
142.07825	2.5
143.08565	11.8
145.10130	30.0
149.13258	4.4
153.12743	10.6
157.10159	10.8
159.11673	1.7
163.11177	12.1
166.12633	1.7
167.07079	1.6
171.08049	1.6
171.11690	19.5
181.12245	23.9
182.09708	1.9
185.13248	3.5
191.10066	2.3
195.06485	1.8
195.13806	2.1
196.29337	1.4
199.13365	1.7
212.29919	1.3
213.05463	2.1
213.12907	4.1
213.16389	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	213.0758
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
53.03942	2.9
55.01865	4.0
55.05502	3.8
56.96302	1.4
56.96567	15.3
57.03430	4.0
57.07074	1.9
58.06591	0.8
61.02925	2.0
61.18280	0.8
65.03928	1.8
67.05494	5.5
69.03431	9.1
69.07057	3.1
70.06591	11.6
71.04981	3.1
71.16738	1.7
72.08138	2.0
73.02933	5.4
79.05501	9.7
81.03407	3.9
81.07047	4.1
83.04971	2.5
83.08630	0.9
84.08126	3.9
84.96024	3.4
85.02917	6.1
86.09694	4.4
87.04447	1.4
88.07617	2.7
88.83424	0.9
89.03912	1.1
91.05466	3.4
93.03379	1.1
93.07060	5.5
95.04975	11.7
95.08581	2.3
97.02885	9.3
97.06529	4.5
98.97591	17.0
99.04442	1.7
105.03378	1.9
105.07027	2.9
106.04178	1.3
107.04958	72.0
107.08575	5.5
108.01537	1.8
109.02888	2.4
109.06500	3.1
109.10124	1.6
110.07124	2.8
110.97573	4.3
111.04431	2.6
111.08102	1.3
112.08816	1.0
113.06003	1.2
116.07095	1.5
116.98623	9.3
119.08581	1.5
121.06509	3.1
121.10139	3.6
123.04434	32.9
123.08028	1.1
124.02751	0.8
124.99095	1.5
125.02348	5.8
125.05985	2.5
125.09637	2.7
127.03948	5.2
128.98610	3.5
129.02065	2.0
129.10240	1.2
130.96309	6.1
131.00099	1.2
131.08545	1.7
133.02242	1.0
133.10255	1.0
134.99699	1.5
135.04434	21.7
135.07997	2.8
135.11667	1.9
136.07559	1.0
137.05994	6.8
138.03105	2.5
138.04292	1.2
140.04692	100.0
141.05476	2.1
143.00157	3.4
145.03989	5.2
146.99651	1.5
148.97351	6.2
149.09631	7.2
151.03905	2.2
151.07549	5.1
152.04668	1.9
153.05479	18.9
153.06737	1.2
153.09061	2.2
155.07039	74.6
156.02647	1.1
158.99672	2.9
161.01241	3.7
162.02562	3.7
163.03917	60.8
163.07510	1.6
165.05507	4.1
165.09135	2.6
167.03369	2.7
167.07062	26.6
167.10692	1.3
170.99664	1.9
171.03101	5.3
173.08136	4.3
177.00745	2.3
177.09094	2.8
178.03891	2.6
179.00168	2.5
181.04898	1.2
189.00717	2.6
189.97647	3.4
192.03680	22.7
192.05363	2.4
192.53862	5.2
192.55463	1.3
193.01779	2.0
195.06520	14.8
195.08229	1.6
195.10202	2.8
197.01242	3.6
201.00710	0.9
201.04134	12.9
201.05977	3.3
201.54283	2.1
201.56030	1.8
203.00249	1.7
211.02843	2.3
213.05569	2.1
213.07544	17.0
213.12616	2.8
219.01808	2.6
221.01225	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	211.1695
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.00298	0.9
53.03952	2.4
55.01852	1.5
55.05273	1.4
55.05518	17.4
56.96563	6.4
57.03441	15.6
57.07072	3.1
59.04993	3.0
65.03943	1.4
67.05511	34.2
69.03428	12.1
69.07071	18.9
69.18787	7.4
69.19199	3.2
71.05005	6.9
77.03909	1.0
79.05502	14.1
81.02986	1.9
81.03424	18.3
81.07063	37.8
83.04500	1.3
83.04991	23.4
83.08626	18.7
84.96031	2.0
85.06090	1.2
85.06525	5.9
91.05487	14.0
93.07051	18.2
95.04964	12.6
95.08617	42.1
97.06526	6.7
97.10166	3.6
98.20820	2.9
99.04454	1.5
99.08105	3.7
105.07037	14.8
107.04955	1.9
107.08610	29.0
109.06532	13.1
109.10168	100.0
109.74609	1.2
111.04417	1.5
111.08089	7.4
113.09664	2.9
119.08592	31.2
121.10155	17.0
123.08090	18.9
123.11709	11.7
125.09653	6.6
127.11240	1.2
129.07039	2.6
131.08591	3.9
133.10152	22.7
135.11703	69.2
137.09624	18.7
137.13246	1.2
139.11189	6.5
147.04382	1.1
147.11691	7.6
149.09653	5.3
149.13283	7.1
151.11220	10.3
151.14819	11.0
153.12779	3.1
157.10123	3.2
165.12729	1.4
165.16438	1.8
167.10715	9.6
175.11198	7.1
175.14832	25.5
183.06465	1.2
192.76010	1.1
193.12276	14.6
193.15889	19.8
196.08774	1.4
211.13210	6.8
211.15141	1.1
211.17018	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	211.1694
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.53506	0.4
52.66262	0.5
53.03931	1.0
55.01868	1.7
55.05514	15.0
56.96562	4.7
57.03437	8.6
57.07081	3.9
59.05005	3.3
65.03929	1.2
67.05508	29.4
67.53012	0.4
69.03432	9.8
69.07070	18.4
69.51538	3.3
70.45463	0.4
71.04998	6.7
71.08632	1.9
73.06546	0.9
79.05491	9.2
79.05918	0.8
81.03420	7.0
81.07057	34.6
83.04985	16.4
83.08620	12.2
84.96033	0.8
85.06541	6.1
87.08140	0.5
91.05482	10.0
93.07048	20.9
93.25307	0.4
95.04980	7.5
95.08611	43.1
97.02869	0.5
97.06541	7.3
97.10172	3.4
97.99188	1.3
98.97560	0.6
99.04453	1.8
99.08099	5.1
105.04509	0.5
105.07036	15.2
107.04973	0.6
107.08598	29.5
108.43760	0.5
109.06524	13.4
109.10159	100.0
111.04469	0.7
111.08083	6.6
113.06014	1.1
113.09650	1.6
116.00251	0.5
117.07006	1.5
119.08584	28.2
121.06529	1.5
121.10148	15.4
123.08072	18.7
123.11707	12.3
125.09641	5.1
127.07578	0.8
127.11181	1.6
129.07001	1.5
131.08585	2.4
133.06485	0.6
133.10135	24.8
134.10555	0.5
135.08049	1.6
135.11694	71.1
137.05800	0.5
137.09615	16.9
137.13255	1.1
139.10222	0.6
139.11188	3.5
141.09001	0.7
142.06100	0.6
142.07756	0.9
145.10207	0.8
147.08086	0.4
147.11690	9.4
149.09641	1.9
149.13263	6.8
151.07555	0.9
151.11186	13.1
151.13676	0.9
151.14819	12.1
152.11449	0.8
153.12752	4.2
155.08455	0.5
155.10649	0.5
157.10110	2.0
165.12733	3.2
165.16434	2.2
166.08649	0.5
167.10689	5.8
169.10114	0.7
169.12312	2.2
175.11235	6.0
175.14821	23.7
183.06555	0.7
186.11092	0.5
193.12254	7.0
193.15886	21.1
197.01161	0.4
211.07700	0.7
211.11342	0.9
211.13132	4.0
211.14923	1.6
211.16806	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03953	1.1
54.13918	0.7
55.01870	1.3
55.05273	1.0
55.05515	16.4
56.05849	1.3
56.96548	3.3
57.03444	8.7
57.07077	4.4
59.04992	3.6
62.91624	0.9
67.05510	26.4
69.03150	0.9
69.03440	9.3
69.07073	17.6
69.63174	4.6
70.06583	0.7
71.04984	3.7
71.08639	1.2
73.82907	0.8
79.05492	8.0
81.03430	5.4
81.06591	1.6
81.07060	28.0
83.04982	14.6
83.08619	10.8
84.96066	0.9
85.02891	0.9
85.06535	4.0
91.05474	7.4
93.07050	18.2
95.04959	5.6
95.08611	41.4
97.06538	4.5
97.10149	3.1
97.99195	1.6
99.08085	3.2
100.11244	0.9
105.07041	12.2
107.08598	26.0
109.06532	10.5
109.10164	100.0
111.04447	0.9
111.08105	5.8
113.09633	1.5
115.07516	0.8
116.00242	0.9
117.06987	1.8
119.08587	28.1
121.10157	13.4
123.08075	17.5
123.11723	10.4
125.09620	4.5
127.11199	1.0
128.36246	0.8
131.08574	1.9
133.09128	1.1
133.10139	20.5
135.11697	70.1
137.09619	16.2
139.11172	4.8
147.11684	5.3
149.09645	1.7
149.13261	5.5
151.11209	12.0
151.13680	1.2
151.14818	12.4
153.12770	4.2
157.10040	0.9
165.12750	3.0
165.16389	2.9
167.10674	7.4
175.11258	2.0
175.14847	24.7
183.15747	3.7
193.12241	4.4
193.14227	1.3
193.15897	21.7
211.13260	2.6
211.15045	2.2
211.16945	4.4
225.67390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01864	3.6
55.05512	41.9
56.96337	1.0
56.96567	9.9
57.03440	28.6
57.07083	5.5
59.04992	3.4
65.03934	1.7
67.05507	48.5
69.03438	18.4
69.06731	1.6
69.07074	22.7
69.23583	6.0
69.23995	3.6
71.05003	8.7
71.24525	1.0
79.05496	28.9
81.03423	62.8
81.07059	58.1
83.04985	45.3
83.08620	33.6
84.96012	1.8
85.02902	2.6
85.06550	7.1
91.04906	1.6
91.05485	28.8
93.06480	2.0
93.07046	32.5
95.04375	1.8
95.04974	29.8
95.08612	59.2
96.84803	0.9
96.99533	1.0
97.02888	3.2
97.06545	11.5
97.10184	7.3
97.99181	3.6
98.21583	1.9
98.97562	1.2
99.04449	2.3
99.08099	7.5
105.07035	26.8
107.04981	5.9
107.07872	2.2
107.08596	35.9
109.06519	18.6
109.10162	100.0
111.04469	2.4
111.07383	1.2
111.08089	15.6
111.11656	1.4
113.05981	1.4
113.09633	2.6
115.07574	1.7
116.00198	2.3
117.07021	1.9
119.08591	50.5
121.06535	2.0
121.10146	21.6
123.08071	25.3
123.11708	13.4
125.09635	15.2
127.11205	1.1
128.06163	1.1
129.07013	8.2
131.08563	11.0
133.06451	2.9
133.10141	28.0
135.11696	71.2
137.05995	1.2
137.09619	23.5
137.13271	2.0
139.07536	1.2
139.11169	8.8
142.06142	2.6
142.07790	2.5
145.10133	1.8
146.91583	1.2
147.08051	2.8
147.11694	19.5
149.09625	10.4
149.13260	7.1
150.10199	1.0
151.07570	1.3
151.11182	8.8
151.14828	9.7
153.12729	3.2
155.08562	1.8
155.10716	1.3
157.10136	12.0
163.14836	1.7
165.12753	6.0
165.16412	2.8
167.10704	17.7
169.10150	2.9
169.12170	1.8
175.11201	17.5
175.14822	24.5
178.70056	0.9
179.03294	1.2
181.10042	1.2
193.05067	1.4
193.12244	40.4
193.15892	21.7
196.12546	1.5
211.05904	1.9
211.11285	2.0
211.13206	20.7
211.16869	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	211.1331
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03935	4.1
55.01868	4.7
55.05516	39.5
56.63189	1.5
56.96576	8.5
57.03439	8.0
57.07071	2.4
59.05004	2.8
65.03957	1.3
67.05509	33.5
68.99785	1.3
69.03440	9.2
69.07076	17.3
70.36279	3.8
71.05001	6.3
75.04465	2.8
79.05500	34.0
81.03424	100.0
81.07063	40.3
83.04987	51.9
83.08625	41.0
84.95993	1.6
85.06544	7.0
91.05487	33.5
93.07050	21.3
95.04375	2.5
95.04976	48.9
95.08614	18.9
97.02905	4.8
97.06524	5.6
97.10168	10.9
97.99193	4.2
99.08118	2.7
99.70724	1.1
105.04542	1.1
105.07043	25.1
106.77394	1.3
107.04966	8.0
107.08114	1.1
107.08611	11.9
109.06521	9.4
109.10175	7.8
111.04447	4.1
111.08090	17.0
115.05368	1.4
117.07009	1.3
119.08594	23.9
121.06502	1.7
121.10155	8.3
123.08078	4.7
123.11716	28.2
125.09651	2.8
129.07004	14.1
131.08571	13.7
133.06511	3.6
133.10147	16.9
135.11694	6.5
137.09621	10.1
139.07536	3.9
142.07813	3.5
145.10127	1.7
147.08063	5.5
147.11687	18.0
148.92653	1.3
149.09636	8.8
151.11211	4.2
157.08942	2.1
157.10143	20.6
165.12779	5.0
167.07072	1.2
175.11209	22.6
175.12599	2.5
175.14891	3.7
179.10695	10.4
193.12251	59.4
195.45381	1.3
211.11269	1.1
211.13266	28.2
211.15224	2.0
211.16907	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03939	5.3
55.01871	5.3
55.05514	41.6
56.85214	1.3
56.96569	14.8
57.03443	10.7
59.04991	1.8
67.05180	2.5
67.05511	32.5
69.03433	8.0
69.07071	11.3
69.23225	11.6
71.04990	5.2
74.68094	1.4
79.05498	30.0
81.03424	100.0
81.07063	38.6
83.04985	47.4
83.08624	31.6
84.96026	1.6
85.06532	3.2
91.05487	33.3
93.07051	21.0
95.04975	31.8
95.08619	13.3
97.02887	4.0
97.06550	6.4
97.10174	7.0
97.99178	4.7
98.20744	3.5
99.08058	1.8
105.07041	22.2
107.04966	7.0
107.05601	1.5
107.08612	9.9
109.06484	6.6
109.10158	3.9
111.04440	2.5
111.08073	16.4
117.06959	1.5
119.08588	20.1
121.06547	1.9
121.10159	10.9
123.08080	5.7
125.09628	4.6
129.06999	14.1
131.08568	12.2
133.06497	4.9
133.10143	15.6
137.09645	2.7
142.07808	3.6
147.08051	3.3
147.11696	20.7
149.09621	9.1
151.11198	2.1
157.10139	15.8
165.12781	5.5
167.10724	1.9
169.10172	2.0
175.11174	23.6
193.12259	54.3
211.13269	29.0
211.14999	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.47594	1.0
53.03944	5.2
55.01868	5.0
55.05510	36.0
55.95849	1.1
57.03437	7.5
58.41485	1.0
67.05504	23.5
67.36884	1.0
69.03423	8.7
69.07059	8.7
71.04993	5.3
71.07899	1.4
77.03949	0.9
79.05492	28.4
81.03418	100.0
81.07053	30.6
83.04981	43.9
83.08620	35.6
85.06539	1.2
91.05481	27.6
93.07050	15.4
95.04371	1.9
95.04969	31.0
95.08599	10.3
97.02887	3.7
97.06524	3.9
97.10168	8.6
97.13167	0.8
105.07033	19.1
107.04904	5.4
107.08583	7.7
109.06527	6.4
109.10149	2.4
111.04433	2.0
111.08081	16.3
115.05486	1.6
117.07022	1.6
119.04991	1.3
119.08570	17.1
121.06483	1.9
121.10130	7.4
123.08091	2.6
125.09619	2.2
129.07016	10.1
131.08557	11.5
133.06483	3.3
133.10130	11.6
137.09627	2.6
142.07768	3.1
147.08081	3.6
147.11696	16.5
149.09636	7.0
157.10126	16.3
165.12720	4.9
175.11180	18.5
193.12245	53.7
211.13292	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02393	0.8
53.03949	5.6
55.01876	7.3
55.05514	36.3
56.96561	2.0
57.03442	7.9
57.07075	1.1
59.04991	1.8
65.03949	1.5
67.05507	29.6
68.78108	1.1
69.03423	9.4
69.07075	12.4
70.92437	2.7
71.01373	1.4
71.04986	6.8
75.48415	1.0
79.05497	34.3
81.03420	100.0
81.07059	39.8
83.04985	48.6
83.05743	1.3
83.08620	38.0
85.02900	2.0
85.06564	4.7
88.06924	0.9
91.05486	32.6
93.07047	18.5
94.68813	1.0
95.04967	33.1
95.08611	12.8
97.02891	4.0
97.06528	7.7
97.10175	9.8
99.04469	1.6
99.08144	1.7
105.07036	26.6
107.04970	7.5
107.08600	10.5
109.06529	8.1
109.10151	5.2
111.04424	3.4
111.08082	18.1
113.06038	1.5
115.05463	1.2
117.07020	1.1
119.08585	20.8
121.06524	1.9
121.10143	8.1
123.08076	5.5
123.11657	1.5
125.09639	2.9
128.00790	5.3
128.06221	1.1
129.06999	13.2
131.08548	11.6
133.06517	4.3
133.10132	13.2
135.11699	3.0
137.09636	3.8
142.07755	3.4
145.10173	1.8
147.08046	3.4
147.11691	17.2
149.09625	10.0
151.11249	1.4
157.10127	19.3
165.12779	3.7
167.10687	1.5
173.75883	1.0
175.11195	22.3
175.14856	1.2
186.22682	1.0
193.12248	59.4
211.05640	1.1
211.13289	29.4
215.16043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03942	1.0
55.01872	2.0
55.05513	18.1
57.03445	1.9
57.07071	0.4
59.04993	0.6
65.03933	1.0
67.05506	16.9
69.03422	1.6
69.07074	3.3
69.20721	3.5
71.04987	1.1
73.06549	1.3
79.05498	5.8
81.03427	2.0
81.07061	14.1
83.04984	39.3
83.08603	1.1
85.06551	2.7
91.05489	13.8
93.07046	5.9
95.04945	2.1
95.08623	2.7
97.02894	0.7
97.06511	0.9
98.20734	0.8
101.06022	1.3
105.07035	13.4
107.04942	0.7
107.08602	10.7
109.02877	0.4
109.06538	1.9
109.10161	13.8
110.21700	0.4
111.04446	100.0
112.04727	0.4
113.02361	0.7
117.07008	1.4
119.08596	4.0
121.06547	0.4
121.10155	0.4
123.08064	0.8
123.11696	3.9
127.07545	0.5
128.06256	0.5
131.08539	0.8
133.10136	22.6
135.11702	0.7
137.05965	0.4
137.09702	0.4
142.06224	0.4
143.08588	0.4
147.11713	0.6
151.11180	7.8
152.56447	0.4
161.09636	2.2
167.07149	0.6
169.10165	0.8
175.11119	0.4
177.90509	0.4
179.10687	4.3
181.10126	0.5
193.08304	0.4
193.12201	0.7
196.12482	0.5
211.09683	1.2
211.13120	0.5
211.14922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03935	3.8
55.01859	3.7
55.05515	82.5
57.03434	2.2
57.07080	3.3
59.04990	5.1
62.58843	1.7
65.03954	1.8
66.46519	1.5
67.05513	10.5
69.03434	6.6
69.07066	9.2
70.81274	4.2
71.05000	4.6
79.05485	6.1
81.07059	14.5
83.04988	88.2
83.08160	2.9
83.08627	51.0
83.09118	2.6
85.06528	3.9
91.05464	4.9
93.07052	14.8
95.04967	18.9
95.08607	10.3
96.42931	1.4
97.06558	10.1
97.10194	11.1
99.04451	3.5
99.08068	2.4
104.53473	1.5
105.07035	6.9
106.04194	2.5
107.08601	29.9
109.06517	16.1
109.10161	27.1
111.08092	12.9
119.08605	4.0
121.06503	6.3
121.10163	14.8
123.11687	14.8
125.09628	14.8
131.08546	7.1
133.10156	12.3
135.08043	4.9
135.11642	2.0
145.10156	4.0
147.11687	8.1
149.09624	7.5
149.13277	11.8
151.11183	57.6
153.09129	8.8
158.10931	2.1
163.11250	1.7
167.14325	100.0
171.89049	1.7
173.13313	8.3
191.10707	3.9
191.12627	3.1
191.14301	20.7
209.12038	3.9
209.15388	48.0
209.17372	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03952	0.5
55.01866	0.8
55.05510	1.1
56.96564	0.4
57.07077	3.9
59.04992	0.6
67.05509	3.9
69.03429	0.9
69.07070	1.9
70.78913	0.5
71.05000	3.2
72.13618	0.4
74.42596	0.3
79.05492	3.2
81.03429	0.5
81.07052	4.7
83.04987	0.8
83.08622	1.1
85.06537	1.2
88.02916	0.4
91.05482	2.7
93.07050	3.3
95.04974	3.4
95.08614	4.6
97.06532	1.0
99.08099	0.4
105.07027	3.6
107.08597	5.4
109.06522	100.0
109.10157	11.0
111.08066	1.2
113.03016	0.4
115.05454	0.6
117.07029	1.1
119.06011	0.4
119.08586	1.4
121.06490	1.0
121.10128	2.3
123.08074	10.7
125.09618	0.5
129.06987	0.5
131.08580	5.8
131.57248	0.3
133.06453	0.5
133.10152	2.5
135.08060	25.7
135.11740	0.6
137.09534	0.4
139.11179	0.9
143.08565	0.6
145.10106	1.9
147.08070	0.5
147.11685	1.3
149.09618	2.6
149.13271	1.6
150.10400	0.9
151.07574	0.4
151.11195	2.5
153.09109	4.0
154.39511	0.3
158.10928	1.4
161.09613	0.8
165.12730	0.5
167.14354	0.4
173.13290	5.8
176.12050	0.5
177.05640	0.4
191.14313	23.1
209.10185	0.5
209.15364	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.05676	0.7
53.03928	1.1
55.01856	1.3
55.05521	4.2
57.07067	1.2
67.05502	4.4
69.03434	6.7
69.07081	4.5
69.98419	3.3
69.98772	1.4
74.68671	0.8
79.05498	6.8
81.03403	1.2
81.06606	1.2
81.07053	15.2
83.04962	3.4
83.08603	2.8
91.05484	9.9
93.07047	4.8
95.04959	3.5
95.08618	4.0
97.06548	2.0
105.07032	9.8
107.04912	1.6
107.08601	27.6
109.06518	12.9
109.10149	10.8
115.05434	3.3
117.07010	4.2
119.06074	1.1
119.08569	5.2
121.06483	1.1
121.10149	22.1
122.07285	6.5
123.08038	2.3
123.11684	1.8
125.09627	1.2
127.32612	0.8
131.08554	3.5
133.10135	100.0
135.08061	24.1
135.11699	3.1
137.09621	82.2
139.01978	0.9
145.10101	2.4
147.11617	1.8
149.05957	0.8
149.09621	1.5
149.13249	17.1
151.11192	6.0
153.09052	1.1
158.10944	1.1
163.14836	1.9
165.12759	1.1
167.14301	2.1
173.13277	7.2
183.82509	0.9
191.10698	1.2
191.14339	9.3
203.79625	0.9
209.15341	3.0
210.43071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01880	1.7
55.05517	13.0
57.07078	2.4
67.05503	10.1
69.03440	12.2
69.07074	13.6
69.69330	6.8
70.62359	1.1
71.04995	7.3
77.42075	1.3
79.05505	8.6
81.03421	3.5
81.07062	18.9
83.04991	17.8
83.08626	7.2
91.05490	8.6
93.07054	16.3
95.04979	12.2
95.08611	28.3
97.02936	1.7
97.06531	7.5
98.01147	1.4
99.08108	5.1
101.30969	1.1
105.07011	7.6
107.04972	2.8
107.08601	45.9
109.06522	11.6
109.10168	17.3
111.08080	3.3
113.09608	2.0
117.07034	3.0
119.08581	7.3
121.06526	8.0
121.10152	36.5
122.07244	1.7
123.08073	7.8
123.11720	5.7
125.05951	1.2
125.09651	12.3
131.08626	6.1
133.10158	17.9
135.08075	15.4
135.11722	11.3
137.09636	11.5
139.11191	4.8
143.08565	2.1
145.10121	6.5
147.10658	1.1
147.11674	7.4
149.09634	11.7
149.13268	20.8
151.11192	100.0
152.08163	1.5
153.09125	3.9
158.10930	3.0
163.11205	5.1
163.14835	11.3
165.12753	24.4
167.14381	4.5
173.09561	1.4
173.13260	15.2
177.05502	1.6
188.50021	1.2
191.14328	39.6
205.04752	1.3
209.11890	2.7
209.15388	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	3.9
55.01863	1.9
55.05511	96.6
57.03428	2.8
57.07066	2.6
59.05001	4.3
67.05502	13.9
69.03426	9.7
69.07063	7.2
69.63819	10.6
71.04982	4.7
79.05483	7.7
81.07057	19.4
83.04981	100.0
83.08618	59.8
85.06532	5.1
91.05492	5.2
93.07040	13.7
95.04961	18.3
95.08606	11.6
97.06528	15.4
97.10169	10.2
98.97584	2.4
99.04493	4.9
105.03375	2.1
105.07030	10.6
107.08593	28.4
109.06519	40.8
109.10161	34.9
110.66614	1.6
111.04411	2.2
111.08089	16.0
113.09618	2.7
121.10139	17.3
123.08080	4.1
123.11715	13.7
125.09600	14.1
131.08556	7.1
133.10141	24.4
135.08066	7.9
145.10103	4.7
149.09634	3.3
149.13248	11.2
151.09976	3.3
151.11186	56.2
153.09103	11.7
163.11246	2.0
163.14813	5.5
167.14328	95.2
173.13257	9.8
191.14273	11.9
196.89439	1.9
209.12054	2.4
209.15379	51.3
225.45473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03944	2.1
55.01880	2.2
55.05515	99.5
57.03428	2.6
59.04995	5.3
61.81232	1.4
62.07962	1.4
63.33928	1.3
67.05495	9.5
69.03424	6.4
69.07063	5.8
69.69244	7.7
71.04983	3.5
79.05503	5.4
81.07062	16.3
83.04985	100.0
83.08626	53.0
85.06546	3.1
86.65302	1.2
91.05478	3.6
91.75504	1.3
93.07056	10.7
95.04964	14.6
95.08601	10.0
97.06517	17.6
97.10181	11.3
98.07745	1.4
99.04497	1.8
105.07047	5.6
107.08587	23.9
109.06529	32.2
109.08569	1.5
109.10165	34.6
111.08096	12.1
113.09668	3.6
119.08588	1.8
121.10135	13.6
123.08084	2.9
123.11694	13.9
125.09640	17.5
131.08617	4.0
133.10139	18.2
135.08073	2.3
135.11690	1.8
145.10139	2.3
149.09546	1.7
149.13243	8.4
151.09981	3.4
151.11195	56.7
153.09096	9.5
163.14807	1.8
164.16617	1.4
167.14328	95.5
173.13284	9.3
191.14308	6.1
209.15379	46.6
215.94476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01865	6.1
55.05309	1.8
55.05517	18.6
56.96567	2.6
57.03425	5.9
57.07077	4.2
59.04990	2.4
67.05509	11.9
69.03429	17.5
69.07072	18.6
69.48312	9.7
69.48726	2.5
71.04987	7.7
76.75404	1.8
78.63713	1.7
79.05494	10.6
81.03438	2.2
81.07053	19.5
83.04984	23.6
83.08611	6.1
85.06553	2.2
91.05482	9.4
91.66601	2.1
93.07050	18.5
95.04963	20.8
95.08610	28.8
95.09576	2.0
97.02907	2.0
97.06534	6.4
99.04479	5.0
99.08089	4.4
103.05432	2.2
105.07044	13.7
106.04179	1.8
107.04968	3.9
107.08601	47.6
109.06525	20.1
109.10140	19.2
111.04450	2.4
111.08083	5.2
117.07030	2.8
119.08579	8.3
121.06471	9.6
121.09325	3.4
121.10148	42.8
123.08055	10.5
123.11690	8.6
125.09645	13.3
131.08575	7.0
133.10136	27.0
135.08069	22.5
135.11717	12.7
137.09604	12.7
137.13197	2.1
139.11168	10.5
145.10124	8.5
147.11679	8.7
149.05966	5.9
149.09630	14.6
149.13297	21.7
151.11197	100.0
152.08215	4.9
153.09140	5.2
158.10934	4.2
163.11201	7.2
163.14861	10.4
165.12718	11.8
167.10744	5.1
167.14304	9.3
173.13274	18.2
177.05525	3.8
191.06979	3.4
191.10680	3.1
191.14316	51.7
209.04443	2.5
209.08093	4.3
209.10201	4.5
209.11917	3.8
209.15376	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	3.9
53.24386	2.1
54.38279	2.3
55.01864	3.5
55.05510	15.3
56.96541	2.7
57.03444	2.6
57.07064	4.6
59.04988	3.4
59.71704	2.5
63.16400	2.1
65.12631	2.3
67.05511	13.9
69.03444	16.1
69.07070	13.5
70.64781	6.7
71.04975	6.3
79.05479	15.1
81.03439	11.1
81.07054	32.3
83.04978	18.2
83.08607	6.8
85.06515	4.7
89.16470	2.0
91.05479	14.6
93.07047	16.9
95.04945	16.3
95.08594	20.8
97.02862	3.8
97.06535	8.7
99.04442	3.6
99.08083	4.0
105.07038	19.9
107.04948	3.5
107.08601	48.5
108.54787	2.6
109.06528	27.2
109.10148	18.0
111.08086	4.4
115.05435	5.3
117.06995	6.5
119.08562	9.7
121.06488	9.4
121.10150	44.2
122.07296	5.0
123.08110	11.3
123.11694	9.8
125.09595	6.3
131.08562	7.6
133.10138	100.0
134.31779	2.1
135.08057	23.7
135.11685	7.2
137.09621	81.5
145.10126	6.8
147.11652	9.8
149.05975	3.7
149.09621	13.9
149.13269	29.6
151.11172	33.1
153.09111	8.2
158.10890	4.9
163.11191	6.5
163.14819	7.0
165.12750	76.6
167.14330	9.2
173.13264	13.7
177.05466	3.1
191.10661	4.9
191.14322	28.4
209.08148	4.5
209.10020	3.2
209.11699	6.9
209.15364	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03942	2.5
55.01876	9.0
55.05513	14.0
56.96562	2.3
57.03436	2.8
57.07077	2.4
65.03938	2.7
67.05511	23.8
69.03438	5.3
69.07075	15.5
69.68578	1.9
69.68981	3.7
70.06582	1.1
71.04999	22.6
79.05499	40.8
81.03412	2.0
81.07062	16.4
83.04991	24.3
83.08634	6.7
85.02924	1.8
85.06556	6.9
86.09715	1.7
87.04487	1.1
91.05487	24.7
93.07050	39.2
95.04977	31.7
95.08611	9.3
97.02905	1.4
97.06548	10.3
98.97593	3.2
99.04458	6.0
99.08086	2.3
103.05460	3.3
105.07043	25.4
106.04202	1.0
107.04961	22.4
107.08603	50.4
109.02884	1.8
109.06526	27.7
109.10170	6.9
110.07175	2.5
111.04466	9.6
111.08086	4.7
113.06020	1.4
113.09689	0.8
116.06271	1.3
116.98640	1.8
117.07037	11.1
119.08591	15.4
119.09393	1.6
120.08131	1.3
121.06512	28.5
121.10155	35.5
123.04485	5.3
123.08073	6.7
123.11725	2.2
125.06007	10.6
125.09637	4.4
127.07539	1.5
129.07018	7.1
130.07790	2.3
131.08577	81.9
133.06630	1.0
133.10152	8.2
135.04445	1.8
135.08058	11.4
135.11710	12.7
137.05980	2.1
137.09576	2.1
139.07574	4.8
139.11230	1.1
141.05519	2.2
143.08588	2.7
145.06488	2.9
145.10130	47.8
147.08070	8.7
147.11667	5.5
149.06026	7.7
149.09630	100.0
149.13223	4.6
151.07593	1.9
151.11203	7.8
152.08235	1.5
153.05473	8.2
153.09120	8.9
155.07062	1.8
155.08545	2.2
158.99548	0.9
163.07541	7.3
163.11197	37.3
163.14807	2.5
165.09126	17.9
165.12781	1.5
167.07086	3.1
167.10692	18.2
167.12099	1.0
167.14331	8.8
173.09660	9.0
173.13248	4.7
177.05502	2.7
191.07065	2.4
191.10680	63.4
191.14297	14.8
209.04466	1.6
209.07970	3.1
209.11763	92.5
209.15277	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02383	0.6
53.03946	5.4
55.01878	16.5
55.05513	35.1
57.03441	5.0
57.07070	2.9
65.03936	3.1
67.05507	45.6
69.03423	4.4
69.07070	19.5
71.04994	7.3
71.27603	1.4
73.02925	4.4
77.03940	1.1
79.05496	71.6
81.03429	7.7
81.07059	51.0
83.01314	0.8
83.04988	10.8
83.08622	22.2
85.02887	1.1
85.06559	1.6
91.05483	22.6
93.03417	1.2
93.07047	97.4
95.04977	17.6
95.08609	100.0
97.02885	8.3
97.06534	8.3
97.10160	1.7
99.04457	10.2
99.08089	1.2
103.05461	3.2
105.04508	1.5
105.07034	18.4
107.04958	23.5
107.08598	65.6
109.06512	6.8
109.10146	5.5
111.04465	4.8
111.08107	3.0
113.06034	1.5
113.09676	0.6
115.05453	1.9
116.06226	1.1
117.07023	23.7
118.52900	0.5
119.08581	20.3
121.06516	14.8
121.10148	22.4
123.08086	1.1
125.05979	6.3
127.07558	1.5
128.06183	0.7
129.07008	2.2
130.07785	5.8
131.04901	1.2
131.08588	1.6
133.10146	5.3
135.08105	6.0
135.11696	86.3
139.07567	3.8
143.08591	2.4
145.06430	1.2
145.10126	55.9
149.05936	0.8
149.09621	1.3
153.12735	2.4
155.08551	1.0
159.43195	0.6
163.11185	85.0
163.66859	0.6
167.14273	0.6
173.09663	2.1
176.60524	1.1
177.05511	0.9
181.12195	7.1
191.10666	0.6
191.14305	0.8
209.04372	0.8
209.10083	1.2
209.11804	1.3
209.15382	2.2
227.12804	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03934	3.4
55.01871	8.6
55.05511	28.1
56.96564	10.4
57.03447	4.8
57.07059	2.9
59.04988	1.6
65.03920	1.3
67.05177	1.1
67.05506	14.3
69.03436	8.0
69.07067	20.3
69.81939	3.5
70.06580	0.9
71.04993	20.9
77.03911	1.2
79.05492	41.6
81.03415	2.8
81.06594	1.0
81.07056	18.2
83.04491	1.4
83.04981	26.5
83.08611	11.7
84.08125	1.7
85.02895	2.0
85.06544	3.8
89.03930	0.8
89.39935	0.8
91.05478	26.3
93.03410	1.1
93.07045	48.6
95.04974	24.1
95.08609	12.4
97.02874	2.8
97.06534	10.8
97.10144	1.7
98.97600	5.0
99.04454	5.2
99.08063	1.1
99.80460	0.7
103.05479	3.2
105.03444	1.2
105.04536	1.2
105.06310	1.0
105.07034	29.6
106.04171	1.9
107.04965	16.8
107.08592	67.5
108.01665	0.6
109.06517	19.9
109.10162	10.6
111.04478	4.3
111.05105	0.7
111.08089	4.8
113.05983	1.4
113.09628	1.0
115.05416	1.5
116.04957	1.2
116.06229	1.8
116.98585	1.3
117.07011	8.7
119.01852	1.0
119.04949	1.6
119.08576	13.9
121.06506	36.8
121.10143	36.4
121.11047	1.0
123.04480	1.3
123.08058	9.4
123.11678	3.5
124.08644	0.8
125.05995	7.8
125.09623	8.3
129.06126	1.0
129.06966	4.0
130.07794	3.1
131.04918	1.5
131.08565	100.0
133.06555	1.6
133.10126	11.7
135.04396	3.7
135.08049	9.6
135.11710	10.1
137.04340	1.2
137.05962	2.5
137.09605	1.4
139.07536	2.8
139.11179	1.8
141.05426	3.3
143.08591	2.2
145.10121	37.4
146.04892	3.2
147.04399	4.7
147.08043	4.0
147.11700	5.5
148.05180	0.9
149.05994	7.6
149.09618	76.3
149.13248	6.4
151.07578	1.7
151.11169	14.3
152.08195	2.3
153.05479	13.9
153.09122	8.2
155.05435	6.0
155.06920	1.0
158.10947	2.0
158.99632	1.2
161.09624	0.7
161.13235	6.4
163.07614	1.4
163.11182	26.5
163.14833	6.2
164.05984	2.1
165.09111	3.4
165.12759	1.4
167.07092	4.6
167.10634	3.7
167.14330	18.3
173.09682	4.2
173.13260	11.4
177.00745	1.6
177.05399	4.4
179.14372	1.9
181.12285	0.8
185.02902	0.7
187.02631	0.8
191.07011	2.5
191.10672	32.4
191.14299	22.1
199.11095	1.6
209.02713	1.2
209.04341	1.4
209.08154	4.8
209.10391	2.7
209.11769	56.7
209.15311	30.9
210.12166	0.9
212.93683	0.6
217.12280	2.0
224.50093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03947	2.8
55.01871	9.6
55.05514	26.3
56.96563	2.3
57.03437	6.8
57.07060	3.3
59.04994	2.4
65.03935	3.2
67.05508	28.3
68.99758	1.0
69.03436	7.1
69.06727	1.6
69.07072	20.0
70.06595	1.3
70.82504	0.8
71.04600	1.3
71.04997	26.1
71.07277	2.0
77.03902	1.5
79.05499	49.8
81.03421	4.0
81.07062	31.0
83.04985	39.1
83.08623	11.6
84.08145	1.7
85.02905	1.9
85.06554	6.7
86.09700	2.3
87.04458	1.8
89.03397	0.8
91.05485	28.9
93.03429	1.3
93.07049	47.6
95.04975	79.5
95.08606	14.6
97.02884	2.0
97.06537	15.2
97.10151	1.9
98.97597	5.0
99.04467	16.7
99.08095	5.4
103.05467	3.2
105.06312	1.2
105.07037	30.4
106.04175	3.6
107.04966	27.5
107.08599	58.7
108.05720	0.9
109.02847	1.1
109.06521	34.2
109.10172	13.1
110.07170	1.8
111.04457	10.9
111.08099	9.3
113.06033	0.8
113.09650	1.4
115.05442	1.4
115.07531	1.6
116.06200	1.1
116.98609	0.9
117.07003	11.2
118.82668	0.8
119.04949	0.9
119.06065	0.8
119.08585	17.7
120.08079	0.9
121.05811	0.7
121.06512	30.5
121.10149	45.5
121.53323	1.0
123.04444	5.3
123.08097	8.0
123.11736	4.2
125.06004	11.9
125.09631	6.9
127.03980	1.1
127.07544	2.0
128.06227	1.1
129.07016	8.7
130.07782	2.9
131.08575	94.6
133.10133	14.6
135.04427	2.4
135.08063	10.6
135.11691	13.6
137.05971	1.7
137.09650	3.7
139.07544	6.5
139.11165	1.9
141.05457	2.0
143.08583	1.8
145.06491	3.6
145.10127	43.8
147.08061	10.4
147.11684	6.5
149.05981	8.8
149.09630	100.0
149.13245	9.1
151.07578	1.8
151.11209	11.8
152.08218	2.5
153.05493	8.6
153.09108	27.3
155.07033	2.0
155.08452	1.1
158.99652	1.1
161.09683	1.4
161.49046	0.9
163.03906	1.0
163.07559	8.3
163.11189	38.7
163.14832	3.3
165.09132	20.5
165.12799	1.9
167.07097	4.9
167.10684	20.9
167.14326	17.1
173.09628	10.5
173.13257	10.9
175.06308	0.9
177.05460	3.9
179.10751	1.0
181.08568	1.1
189.92172	0.8
191.07069	2.0
191.10683	68.7
191.14299	22.8
194.02174	1.0
209.04459	4.5
209.08015	5.3
209.11769	90.4
209.15337	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03933	2.7
55.01871	6.6
55.05515	21.3
56.96566	4.0
57.03428	4.4
57.07074	1.9
59.04998	2.6
60.21267	1.4
67.05504	14.5
69.03436	9.4
69.07070	18.5
70.06606	2.1
70.69040	2.8
70.69372	2.6
71.04994	23.3
71.17709	1.4
77.03915	1.4
79.05497	38.4
81.03434	2.4
81.07063	18.1
83.04981	24.8
83.08633	10.4
84.08167	2.4
85.06551	1.8
91.05482	24.6
93.07047	49.3
95.04970	28.8
95.08628	7.4
97.02900	2.4
97.06531	11.8
97.10155	1.8
98.97599	5.1
99.04464	4.4
102.96898	2.0
103.05472	3.6
105.07036	27.4
107.04971	16.6
107.08597	57.4
109.06522	19.6
109.10143	7.7
110.07169	3.0
111.04449	3.6
111.08100	5.9
113.06012	1.4
117.07063	7.1
119.08599	12.3
121.06513	33.0
121.10147	38.3
123.04440	1.6
123.08058	6.7
123.11732	4.2
124.08711	1.6
125.06006	6.9
125.09621	7.5
128.02327	1.4
129.07030	4.5
130.07819	5.0
131.08572	100.0
131.92805	1.7
133.10150	8.9
135.04486	3.1
135.08038	9.9
135.11699	9.1
137.06024	1.5
139.07562	2.9
141.05481	2.3
143.08568	2.9
145.01665	2.4
145.10130	38.9
147.04443	1.7
147.08070	4.6
147.11696	4.3
149.06029	7.0
149.09630	77.1
149.13232	2.0
151.07625	2.1
151.11182	14.9
152.08232	2.4
153.05482	15.6
153.09100	11.6
162.75342	1.4
163.02771	3.4
163.07579	2.7
163.11186	30.1
163.14871	2.2
165.09196	3.8
166.00876	2.1
167.07088	3.9
167.10715	5.0
167.14323	17.6
173.09639	4.6
173.13316	5.3
177.05493	4.3
181.00043	1.7
181.04988	1.3
191.10669	35.9
191.14322	8.9
194.00357	18.9
209.02725	14.8
209.04526	4.1
209.08113	3.8
209.11784	66.4
209.15306	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03952	8.6
55.01872	1.5
55.05317	0.8
55.05518	9.3
59.19504	1.0
65.03945	1.4
67.05507	27.0
69.03422	1.0
69.07080	5.5
69.30673	7.1
71.04989	2.3
73.06544	2.2
79.05499	53.0
81.03399	1.7
81.07060	18.8
83.04990	4.8
83.08617	3.1
85.06540	1.2
91.05486	49.6
93.07048	100.0
95.04975	13.3
95.08620	8.7
97.06525	3.0
97.10197	1.6
105.04507	4.2
105.07038	26.6
107.04965	1.2
107.08614	10.7
109.06528	5.3
117.07011	4.9
118.94978	0.9
119.08588	13.0
121.06528	2.3
121.10086	2.4
123.08046	4.8
127.07549	1.9
128.06192	2.6
129.07019	11.2
131.27530	1.1
131.35648	0.9
133.10167	4.9
143.08548	6.3
145.10138	8.4
147.08078	1.6
147.11697	45.9
158.09882	0.9
161.09599	3.7
161.13260	10.1
171.11696	23.6
186.52853	1.0
189.12755	13.5
207.13809	28.1
207.57785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.49293	0.9
51.71082	0.9
53.03945	6.5
55.05523	9.3
57.80836	0.8
61.29102	1.0
62.46080	0.8
65.03943	1.1
67.05511	26.7
69.07078	6.7
69.72684	1.8
69.73100	4.3
71.04963	1.9
73.06582	1.6
77.03934	2.4
79.05498	54.6
79.59307	1.0
81.03417	2.5
81.07061	23.7
83.04969	4.5
83.08624	2.4
85.06544	1.9
91.05488	44.1
93.07050	100.0
94.49848	1.0
95.04968	13.8
95.08610	10.5
97.06545	1.8
97.10175	2.0
99.08077	1.2
101.06073	0.9
103.05473	0.9
105.04507	1.8
105.07042	25.3
107.04914	1.5
107.08601	10.9
109.06504	4.2
109.10169	1.3
111.08090	1.1
113.06035	1.0
117.07036	5.6
119.08594	13.1
121.06491	2.5
121.10122	2.8
123.08072	3.3
127.07561	2.0
129.07014	9.9
131.08611	1.7
133.10150	5.6
143.08560	5.6
145.10129	8.5
147.08017	2.2
147.11699	46.4
161.09619	2.9
161.13255	8.6
171.11688	23.0
174.16490	1.0
189.12749	10.8
195.45068	1.0
207.13814	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.65902	0.7
55.01871	1.2
55.05518	5.4
57.03444	0.9
57.07079	4.0
59.05005	2.1
65.03967	0.9
67.05506	24.0
69.03428	3.6
69.07064	3.1
69.39817	0.6
69.40124	5.7
71.04979	1.7
79.05492	4.9
81.07056	5.2
83.04987	3.2
85.06538	10.7
91.05489	6.4
93.07042	12.8
95.04967	2.8
95.08609	100.0
97.06535	1.5
105.07038	15.4
107.04963	0.8
107.08598	17.1
109.06526	5.5
109.10141	2.7
111.08097	1.6
113.06005	6.1
117.06998	1.0
119.04924	0.9
119.08588	17.8
121.06499	4.1
121.10152	14.4
123.08076	46.0
123.11679	5.7
125.09589	1.5
130.07779	0.9
131.08577	3.7
133.06485	2.4
133.10094	5.7
135.08089	2.0
135.11729	4.9
137.09618	4.0
137.13220	1.7
139.07594	1.1
143.08589	0.9
145.10135	2.4
147.08025	4.1
147.11678	11.6
149.09625	53.1
151.07542	3.3
151.14853	4.4
156.09366	2.3
159.08034	1.7
159.11697	1.0
161.09593	2.3
161.11984	1.3
161.13257	16.7
163.11124	3.6
165.09105	2.1
165.12762	11.2
171.11687	3.9
174.10452	2.1
179.14328	2.0
189.12741	20.9
207.13803	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05517	5.9
56.96544	1.7
57.03436	1.1
57.07065	3.6
59.04996	2.4
59.74891	0.9
61.50848	0.9
67.05181	1.7
67.05510	24.2
69.03438	5.2
69.07076	5.0
69.60538	1.7
69.60941	5.4
71.04975	3.1
79.05483	7.8
79.55814	0.9
81.07060	8.5
83.04977	5.9
85.06552	7.4
91.05486	10.7
93.07047	15.2
95.04971	4.5
95.08611	90.9
97.06533	2.2
98.21403	1.1
98.97553	2.3
103.05466	1.2
105.07036	18.2
107.04979	1.2
107.08596	22.7
109.06524	7.9
109.10163	4.8
111.08057	1.2
113.05991	4.6
117.06970	1.3
119.04965	2.1
119.08582	23.4
121.06487	5.1
121.10139	19.8
123.08069	46.0
123.11691	6.4
125.09602	1.3
129.06926	1.1
131.08557	5.8
133.06477	3.6
133.10135	7.2
135.08047	1.4
135.11690	4.5
137.09644	5.7
137.13196	1.5
139.07585	1.6
143.08513	2.8
145.10092	3.2
147.04330	1.4
147.08058	5.3
147.11702	15.0
149.09630	100.0
151.07620	2.4
151.14835	4.8
152.65649	1.1
156.09361	4.2
159.08061	1.5
161.09587	3.2
161.11989	1.6
161.13264	20.9
162.34413	1.0
163.11186	3.2
165.09123	1.5
165.12750	13.1
171.11740	7.7
174.10405	3.7
179.14304	3.5
189.09134	2.8
189.12749	29.5
189.16396	3.5
207.06473	2.4
207.13811	67.2
207.17195	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03958	1.5
55.05507	4.6
57.07064	3.8
59.04986	1.5
65.03938	1.1
67.05508	23.8
69.03412	3.1
69.07063	1.4
69.56300	6.7
71.04996	1.6
79.05482	4.1
79.40981	0.9
81.07064	5.5
83.04983	2.5
85.06545	11.7
87.64301	0.9
91.05479	6.7
93.07043	10.2
95.04955	3.1
95.08611	100.0
97.06529	1.7
105.07037	13.3
107.08599	16.2
109.06508	3.5
109.10167	2.2
111.08087	1.1
113.06015	6.3
117.07006	1.1
119.08588	19.6
120.09403	1.2
121.06514	2.1
121.10152	12.5
123.08074	47.7
123.11708	5.6
131.08568	4.5
133.06488	1.5
133.10138	3.4
135.08058	1.3
135.11676	4.7
137.09593	4.0
137.13229	1.7
139.07542	1.0
143.08597	1.6
145.10118	2.2
147.07994	3.0
147.11691	10.2
149.09630	48.3
151.07549	1.2
151.14864	5.0
156.09332	1.6
161.09605	1.8
161.13263	18.0
163.11185	3.0
165.09160	1.6
165.12759	9.7
168.38316	1.0
171.11681	2.6
174.10425	2.8
179.14304	2.7
189.12752	15.4
207.13814	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91625	2.2
70.91966	1.8
82.99841	4.7
83.01540	1.1
100.02472	2.0
101.00883	37.5
102.00957	3.9
103.00636	7.9
119.01924	59.4
120.01991	8.3
121.01673	16.7
122.02062	1.4
124.02457	13.2
126.02203	1.9
137.02962	6.7
138.03142	1.3
139.02663	2.2
142.03505	100.0
142.52702	1.5
143.01950	2.4
143.03636	8.4
144.03221	11.3
158.99846	1.6
160.04541	19.3
160.99707	2.1
161.02951	5.4
161.04477	2.2
162.04276	1.8
165.05173	1.4
177.00972	3.2
178.01080	3.1
179.00671	6.8
179.98659	4.9
180.48938	1.1
182.48938	1.9
184.04590	3.8
188.99132	10.5
189.49167	2.7
190.99588	1.2
191.49435	20.3
191.99498	5.7
192.49245	1.4
197.99678	1.1
198.94363	1.6
200.49982	32.5
200.99998	9.7
201.02371	2.3
201.49915	3.2
209.50589	1.3
212.00777	1.7
222.94247	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.64475	1.3
52.73498	1.3
53.03934	5.4
55.01883	2.9
55.05516	10.7
56.96567	2.8
57.03425	4.0
57.07064	5.4
59.04988	2.8
60.10130	1.3
62.79267	1.4
63.62859	1.7
65.03946	3.5
67.05510	40.8
69.03432	58.0
69.06734	1.9
69.07072	25.0
69.80070	7.9
71.04991	6.7
79.05492	21.7
81.03424	12.1
81.07063	22.2
83.04984	13.4
83.08625	3.1
85.02889	4.7
85.06526	3.6
87.46819	1.3
91.05477	17.5
93.07044	27.7
95.04968	30.4
95.08612	24.2
97.02904	3.2
97.06528	12.6
98.97588	20.3
99.04472	3.3
103.05474	3.2
105.04539	1.6
105.06325	2.2
105.07031	43.4
107.04954	6.8
107.08607	31.4
109.06514	20.3
109.10162	14.8
110.07279	5.5
111.08091	13.9
116.98628	4.8
117.06956	3.5
119.04994	2.6
119.08593	36.6
121.06499	6.7
121.09342	2.5
121.10146	30.8
123.04434	55.0
123.08081	14.9
123.11731	3.8
125.09674	1.9
128.06206	2.2
129.07014	3.5
131.08565	4.9
133.06528	7.5
133.10135	96.0
135.08052	3.7
135.11726	5.9
137.05978	17.1
137.09622	14.2
139.11221	1.9
142.03590	1.5
143.08563	5.7
145.10091	10.6
147.04401	2.7
147.08084	12.5
147.11696	26.7
149.09618	14.9
151.07576	7.8
151.11154	3.1
153.09105	3.0
155.08485	1.6
156.09370	11.5
158.99599	7.5
159.11684	5.7
161.09639	6.4
161.13251	25.9
163.11200	21.5
165.09047	2.2
165.12721	4.3
171.11696	12.9
174.10406	5.0
177.00714	4.1
177.06750	2.0
177.12689	3.7
179.14307	5.5
189.09186	2.0
189.12750	27.8
207.06557	3.6
207.10425	3.4
207.13812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03941	1.9
55.01868	1.5
55.05512	7.0
56.96566	5.7
57.03439	0.6
57.07085	6.4
58.06571	0.8
60.04514	2.3
62.30331	0.5
65.03944	2.8
66.68783	0.6
67.05505	6.2
69.03436	3.6
69.06729	1.0
69.07074	10.8
71.04984	0.9
71.08630	0.9
78.95297	0.7
79.05494	10.6
81.03425	4.8
81.07060	43.2
83.04958	0.7
83.08612	3.0
83.11866	0.6
85.02921	4.6
91.05489	6.9
93.07053	35.5
95.04988	1.9
95.08609	15.7
97.02896	15.2
97.10168	3.3
99.04459	3.1
103.05475	0.9
105.07034	6.2
107.04963	1.4
107.08600	16.1
108.04470	1.5
109.02888	11.0
109.06506	1.6
109.10157	12.3
111.11739	1.2
113.96405	0.7
117.07028	2.0
119.00184	0.8
119.08578	2.8
119.97934	1.0
121.02852	3.1
121.04026	0.9
121.06530	2.5
121.10149	100.0
122.10530	0.8
123.08071	1.6
123.11720	5.6
126.05482	0.6
127.03931	4.1
127.05918	0.9
131.08559	2.6
131.97484	0.9
133.06786	1.1
133.10175	0.8
135.08070	1.9
135.11696	8.3
139.03903	0.9
145.02864	2.1
145.04910	1.0
145.06613	0.8
145.10126	5.3
147.07996	0.8
147.11693	1.6
149.02348	32.0
149.06029	0.7
149.09669	0.7
149.13271	24.7
159.05115	0.7
159.10283	1.0
159.11696	2.4
161.01349	0.6
161.09645	0.6
163.02748	1.3
163.11224	1.5
163.14851	2.4
163.96941	0.9
168.10747	1.0
175.08868	0.7
175.11462	0.9
177.12767	0.8
181.97906	1.6
182.06584	1.1
184.11990	0.6
186.62288	0.6
187.07814	0.6
187.11221	2.2
187.14789	1.3
205.05072	5.6
205.06888	1.2
205.08798	2.0
205.12285	6.5
205.14194	1.5
205.15906	5.4
205.19528	15.2
209.96854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.06713	0.4
62.23386	0.5
70.97318	1.0
71.68275	0.5
74.02447	1.7
91.05496	1.7
115.05437	2.8
117.05766	1.4
117.07025	2.7
118.06546	43.0
128.34630	0.6
130.06519	3.7
132.08105	11.2
142.06514	5.4
143.07309	5.9
144.08093	17.8
146.06013	87.4
147.06342	0.6
155.06013	1.1
159.07977	1.0
159.09186	10.1
160.07593	1.5
170.06009	7.5
188.07072	100.0
189.07426	1.4
203.72879	0.5
205.09726	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03955	1.7
55.01882	0.8
55.05513	7.7
55.26992	0.8
57.07076	11.5
57.09029	0.6
60.04512	0.7
62.40746	0.6
65.03943	4.1
66.05417	0.7
67.05500	7.5
69.03421	1.5
69.07069	13.6
71.08635	1.4
78.20458	0.6
79.05494	8.3
81.03409	1.2
81.07058	43.8
83.08618	6.1
85.02917	1.3
91.05480	4.8
93.03391	1.1
93.07046	41.5
95.08609	27.1
97.02879	5.4
97.10184	4.4
99.04446	1.1
102.43246	0.8
105.07031	3.7
107.08595	25.6
109.02877	4.4
109.10153	20.3
111.11719	2.8
119.08555	1.1
119.78616	0.7
121.02869	9.7
121.03982	2.8
121.10146	90.9
123.11694	11.3
127.03913	1.8
131.08531	1.3
133.10069	0.7
135.10703	1.3
135.11699	19.1
137.13277	0.9
139.03868	0.8
145.02905	0.6
145.04987	0.8
145.10104	0.8
149.02342	100.0
149.13260	32.1
162.00739	0.7
163.14827	2.9
190.05022	0.9
205.04918	1.8
205.08746	1.2
205.12236	1.3
205.14134	1.1
205.15918	1.1
205.19507	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	205.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01877	0.5
55.05514	100.0
57.07078	1.4
58.00554	0.4
58.51822	0.5
58.99590	5.6
59.05008	0.4
60.04541	0.7
61.02908	0.5
62.60951	0.4
65.03957	0.7
67.05480	0.5
69.03429	2.3
69.07055	0.7
70.77753	1.0
70.78120	0.7
71.04971	0.4
72.12347	0.4
79.05526	1.2
81.03426	2.2
81.07043	1.0
83.08623	91.3
84.08950	0.7
85.02921	2.9
86.99060	7.7
91.05483	1.2
93.07036	1.3
95.08602	1.3
97.02889	4.0
99.04453	1.2
101.09659	3.1
105.00107	6.2
105.07025	1.8
107.04984	0.6
107.08575	1.2
109.02857	2.9
110.06953	0.5
117.07041	1.1
119.08582	0.9
120.08105	5.5
121.02863	0.9
121.06519	1.5
121.10107	0.5
127.03946	1.5
131.04868	0.6
131.08542	1.8
133.10150	0.9
134.01445	0.4
145.02832	0.8
145.06561	0.9
145.10103	2.5
146.05972	1.5
147.11656	0.8
149.02341	8.9
159.08087	0.7
159.11678	1.1
163.96786	0.6
169.63834	0.6
177.09067	0.8
177.12755	1.1
184.29498	0.4
187.14778	1.4
188.06989	1.3
205.04996	2.9
205.08638	1.5
205.12311	2.8
205.13882	0.7
205.15857	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	204.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03439	3.5
58.06589	0.4
60.04525	0.4
60.08168	13.3
61.02930	3.8
62.35651	0.2
64.04288	0.3
69.03433	1.6
69.26231	1.8
69.26653	0.9
71.04993	0.8
72.08152	0.3
72.61509	0.3
73.02920	5.2
79.02156	0.4
81.03406	0.8
82.99866	0.6
84.04463	0.3
84.08154	0.9
84.49601	0.2
85.02908	100.0
86.03243	0.3
87.01884	0.3
88.02705	0.3
93.01876	0.4
94.02657	0.4
97.02341	0.4
97.02892	2.7
98.04033	0.4
99.01875	0.4
99.04443	0.6
100.02666	0.5
100.24377	0.3
101.00896	2.4
102.02419	1.3
103.03923	0.3
108.02469	0.4
109.02919	0.5
111.02922	0.8
113.00860	1.1
114.02422	0.7
115.02431	1.0
117.02929	0.7
119.01932	1.9
120.02016	0.3
121.03193	0.3
122.02229	0.3
123.02936	2.0
127.02402	0.4
127.03933	1.1
129.02939	0.6
130.03705	0.3
131.01894	1.5
131.04492	0.5
132.02023	0.3
132.03421	1.5
132.53513	0.4
133.03442	1.1
135.02905	0.4
137.95364	0.3
138.03453	1.5
138.05618	0.3
139.04250	0.4
141.03949	0.7
143.01888	3.3
144.02023	0.4
144.03404	1.0
144.10208	3.0
145.03487	1.1
145.04970	9.5
147.03937	0.8
153.04001	1.4
155.01895	3.2
157.03415	0.7
158.08105	0.6
159.05006	1.3
161.02962	2.6
162.03059	0.4
162.04448	0.9
167.01826	0.7
173.02946	4.2
174.03093	0.7
174.04471	0.7
174.54704	0.3
177.06078	1.4
183.04996	1.7
185.02986	2.2
186.03008	0.3
186.07625	2.2
190.55388	0.3
191.04030	0.5
192.05533	1.0
195.07069	0.8
197.02954	0.5
203.04013	1.9
204.12300	27.7
221.05034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0656
Annotation	Doryanine
Peak:m/z	Relative Intensity
52.55037	0.2
55.05504	0.3
56.96572	0.4
58.75987	0.2
60.04224	0.4
60.04525	7.5
68.05013	0.5
69.03436	0.3
69.25224	1.5
69.25638	0.5
72.13145	0.2
79.05478	0.3
82.06558	0.2
84.04501	1.5
84.08112	0.3
85.02911	1.0
89.03944	0.6
91.05518	0.3
96.04509	1.1
97.02876	1.6
98.06043	0.3
102.96883	0.3
106.07308	0.3
114.05517	1.3
116.04974	2.5
120.08076	0.6
126.05519	1.7
135.04483	0.3
138.05521	0.5
144.04431	1.6
144.06586	0.6
145.05014	0.4
149.02359	0.5
158.06110	0.3
162.05502	100.0
163.05876	0.9
176.07181	0.3
186.07597	0.3
189.11485	0.3
190.04993	17.5
204.06569	44.3
204.13795	2.4
204.18376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03439	3.5
58.06589	0.4
60.04525	0.4
60.08168	13.3
61.02930	3.8
62.35651	0.2
64.04288	0.3
69.03433	1.6
69.26231	1.8
69.26653	0.9
71.04993	0.8
72.08152	0.3
72.61509	0.3
73.02920	5.2
79.02156	0.4
81.03406	0.8
82.99866	0.6
84.04463	0.3
84.08154	0.9
84.49601	0.2
85.02908	100.0
86.03243	0.3
87.01884	0.3
88.02705	0.3
93.01876	0.4
94.02657	0.4
97.02341	0.4
97.02892	2.7
98.04033	0.4
99.01875	0.4
99.04443	0.6
100.02666	0.5
100.24377	0.3
101.00896	2.4
102.02419	1.3
103.03923	0.3
108.02469	0.4
109.02919	0.5
111.02922	0.8
113.00860	1.1
114.02422	0.7
115.02431	1.0
117.02929	0.7
119.01932	1.9
120.02016	0.3
121.03193	0.3
122.02229	0.3
123.02936	2.0
127.02402	0.4
127.03933	1.1
129.02939	0.6
130.03705	0.3
131.01894	1.5
131.04492	0.5
132.02023	0.3
132.03421	1.5
132.53513	0.4
133.03442	1.1
135.02905	0.4
137.95364	0.3
138.03453	1.5
138.05618	0.3
139.04250	0.4
141.03949	0.7
143.01888	3.3
144.02023	0.4
144.03404	1.0
144.10208	3.0
145.03487	1.1
145.04970	9.5
147.03937	0.8
153.04001	1.4
155.01895	3.2
157.03415	0.7
158.08105	0.6
159.05006	1.3
161.02962	2.6
162.03059	0.4
162.04448	0.9
167.01826	0.7
173.02946	4.2
174.03093	0.7
174.04471	0.7
174.54704	0.3
177.06078	1.4
183.04996	1.7
185.02986	2.2
186.03008	0.3
186.07625	2.2
190.55388	0.3
191.04030	0.5
192.05533	1.0
195.07069	0.8
197.02954	0.5
203.04013	1.9
204.12300	27.7
221.05034	1.1
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
53.03943	1.3
55.05269	0.9
55.05516	10.7
56.96570	6.7
57.03440	4.1
57.07068	3.7
60.04519	2.4
67.05180	1.0
67.05510	13.5
69.03430	1.3
69.07069	21.1
70.57793	2.1
70.98120	2.5
71.08587	0.8
79.05495	10.5
81.06596	1.5
81.07060	29.3
83.08617	7.3
84.04508	0.9
85.02864	0.7
91.05480	16.1
93.07047	17.9
95.04996	1.2
95.08611	26.3
97.10175	7.7
98.06033	1.0
105.07037	51.4
107.08598	21.2
109.06575	1.3
109.10167	22.1
117.07016	2.2
119.08588	38.1
121.10143	16.2
123.08052	2.3
123.11718	4.6
125.09640	8.1
126.05486	1.6
131.08601	4.7
133.09123	1.6
133.10136	32.9
134.61378	0.7
135.05696	1.1
135.08049	2.5
135.11687	4.0
143.08556	1.1
144.06355	1.0
145.10107	6.6
147.11691	69.4
154.06454	1.4
159.11676	2.5
160.12495	7.7
161.13268	20.6
171.10312	0.9
175.08878	2.5
175.14868	3.8
179.14265	2.0
182.09607	2.6
186.59679	1.0
191.10149	1.7
194.07526	0.8
203.07005	1.0
203.12733	2.0
203.14317	3.5
203.17964	100.0
204.08713	1.6
218.22485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.23109	1.8
55.05509	4.8
60.65566	2.0
67.05504	12.1
68.91856	2.0
69.07065	4.6
70.82381	5.1
79.05501	7.4
81.07063	28.1
91.05501	13.4
93.07047	22.5
95.08616	42.0
103.63492	1.9
105.07044	22.6
107.08607	38.3
109.09496	2.4
109.10171	26.0
119.08596	17.6
121.10143	17.1
123.11754	3.7
133.10132	17.0
135.11691	4.8
145.10097	3.2
147.11699	42.5
161.13287	10.1
175.14868	2.6
203.10677	2.4
203.17975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03925	0.9
55.05510	8.7
56.96556	1.1
57.07065	2.8
67.05506	11.9
69.03423	1.2
69.07071	12.6
69.74564	4.6
70.98125	1.0
71.08640	1.1
72.49368	1.0
74.63906	0.9
78.18541	1.1
79.05486	6.9
81.07056	24.7
83.08611	4.0
84.04494	1.6
91.05476	17.2
93.07048	14.4
95.08611	38.4
97.10228	1.8
98.46382	1.0
100.38645	0.9
104.37086	0.9
105.07034	82.2
107.08599	18.6
109.10166	26.1
117.07004	1.8
119.08581	53.0
121.10140	13.9
123.11727	5.3
126.05496	1.4
131.08574	4.8
133.09123	1.9
133.10136	38.0
135.11694	3.7
145.10146	6.9
146.10939	1.3
147.11690	100.0
157.10204	1.1
158.98613	1.0
159.11710	2.4
160.05101	1.1
160.12454	3.7
161.09668	1.6
161.13260	30.8
173.13255	1.3
175.14848	14.2
185.13306	1.2
191.32233	1.0
197.99130	1.1
203.10721	1.6
203.14635	2.4
203.17963	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11046	0.4
51.48249	0.4
52.07412	0.4
54.36351	0.4
69.80012	2.3
82.00995	0.5
82.01443	5.8
82.99793	1.1
84.04500	0.6
84.08106	0.9
98.21404	0.5
98.97557	1.1
100.01871	0.5
100.02483	7.0
101.00882	9.8
102.00938	2.9
102.94282	0.6
116.98666	0.5
117.16520	0.4
118.03546	1.9
119.01926	21.4
120.02010	7.0
120.95361	3.5
121.01630	0.6
131.01828	0.4
137.02937	3.7
138.03065	1.0
138.96414	21.9
142.03491	0.9
143.01878	0.6
143.03625	3.5
147.96925	3.0
148.46967	0.8
148.95959	0.9
156.97482	68.2
157.03464	1.3
157.97591	0.7
159.47748	2.5
161.02965	5.0
161.04579	1.0
161.98019	9.6
162.03049	2.1
168.48283	9.4
168.49628	0.9
168.98328	0.9
174.98544	22.5
179.04010	4.6
179.99097	100.0
180.04028	2.5
180.99174	1.9
198.00218	43.5
203.00752	1.5
203.04024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03938	1.1
55.05515	9.6
56.96582	4.6
57.03444	1.6
57.07083	4.5
60.04525	4.0
65.03936	1.2
65.41310	0.7
67.05508	14.0
67.53692	0.7
69.03422	0.8
69.07072	18.1
69.45908	5.2
71.08612	1.1
73.44883	0.7
79.05488	7.3
81.03444	0.8
81.07065	28.0
82.01454	1.1
83.04977	1.3
83.08614	4.3
84.04491	0.9
85.02943	1.9
91.05491	10.4
93.07053	11.8
95.04992	1.2
95.08614	40.9
97.10151	2.3
99.05312	0.8
100.02477	1.8
105.07040	41.2
107.08604	17.1
109.10170	30.7
117.07030	3.3
118.03513	1.0
119.08593	40.3
121.10154	13.1
123.11730	5.3
125.09636	1.1
126.05515	1.8
129.07047	1.2
131.08594	4.4
133.10147	37.2
135.11726	4.3
140.50204	0.7
145.10127	9.8
147.11700	65.5
159.11682	3.9
160.12485	7.3
161.05896	0.9
161.09584	1.3
161.13269	23.0
161.14616	1.2
173.07266	1.0
173.13255	0.8
175.07599	1.0
175.14815	4.5
179.97910	1.0
182.07758	2.5
185.20909	1.1
188.08376	1.3
197.99106	1.5
199.74348	0.8
203.05348	1.6
203.07095	3.3
203.10683	2.7
203.14413	5.4
203.17976	100.0
203.21967	11.9
204.13803	1.4
220.57347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.01863	1.7
55.05516	7.3
56.96351	0.9
56.96575	11.0
57.03429	2.6
57.07081	4.3
57.07306	0.7
58.04067	0.8
60.04526	3.7
62.06078	1.6
67.05511	16.0
69.03429	1.4
69.07076	18.7
70.11195	2.2
71.05009	1.1
71.08613	0.9
79.05502	6.5
81.03419	1.2
81.07063	30.6
82.01434	1.2
83.04996	6.7
83.08620	5.0
84.04514	1.7
85.02895	2.4
91.05482	12.2
93.07047	15.2
95.04958	1.8
95.08616	39.7
96.04470	0.8
97.02888	1.1
97.06483	0.9
97.10168	2.2
98.07315	5.4
100.02495	2.7
105.07043	36.5
107.04979	1.2
107.08610	17.5
109.06534	0.9
109.10171	30.0
117.07037	2.5
118.03546	1.5
119.04322	0.8
119.08590	33.6
121.10155	13.9
123.08079	0.9
123.11726	4.9
125.09653	1.1
126.05506	2.3
128.04875	2.0
128.98592	1.4
129.06996	2.0
131.08560	3.1
133.04152	0.7
133.06551	1.0
133.10143	34.0
135.11705	4.2
137.05424	2.2
142.04622	1.4
142.07820	1.6
143.05423	0.8
143.08647	1.9
145.10135	6.8
147.08086	1.6
147.11699	57.9
151.05099	2.1
157.01807	0.9
157.10129	2.4
159.11679	3.4
160.12515	5.4
161.09572	1.1
161.13277	20.3
173.04884	1.6
175.14873	6.9
179.98112	1.6
182.07796	2.9
182.58008	1.0
185.09619	0.9
185.13319	1.0
185.20886	1.5
191.08344	2.9
197.99159	2.1
203.05353	1.6
203.07101	3.1
203.10718	3.2
203.14391	5.9
203.17981	100.0
203.21988	20.8
204.13863	1.0
216.99498	0.8
217.07500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30330	0.7
56.33424	0.7
58.64038	0.7
60.69689	0.7
65.17559	0.7
65.60263	0.7
68.36012	0.7
71.10912	1.6
82.01438	2.2
82.99830	5.6
90.28165	0.8
98.35334	0.8
98.97570	1.7
100.02480	3.0
101.00888	56.7
102.00986	0.9
119.01928	100.0
120.02054	1.1
124.02457	6.9
137.02969	18.7
142.03506	50.8
143.01869	2.1
143.03696	1.1
150.35210	0.7
160.04570	9.6
161.02969	34.5
179.04018	39.0
179.98085	1.4
180.04024	0.7
184.04553	2.1
187.99249	0.9
190.49612	4.0
197.99214	1.8
199.50070	5.5
200.00050	1.2
202.05598	1.3
220.02034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53494	0.3
55.01868	1.2
55.05512	4.3
56.96562	0.5
57.03436	1.3
57.07072	2.8
58.06590	0.6
60.08165	25.3
61.02926	2.3
67.05502	0.7
68.05027	6.3
69.03432	3.4
69.07068	3.8
69.64129	0.8
69.64542	0.9
70.06599	1.4
71.04981	0.7
71.08632	1.0
72.04505	0.4
72.08161	0.6
73.02914	1.4
77.00914	0.5
79.05484	0.9
81.03412	0.4
81.07056	1.0
82.01475	0.7
82.06609	0.5
83.04990	1.1
83.06107	0.4
83.08621	4.2
84.08147	0.5
84.41102	0.3
85.01406	0.8
85.02913	4.5
86.06078	1.1
86.09714	0.8
90.03364	0.4
91.05486	0.3
93.04509	0.3
93.07028	1.1
95.06094	100.0
95.08620	0.9
96.06385	0.7
96.08130	0.5
97.02886	0.8
97.06522	0.9
97.10188	1.7
98.03982	0.4
99.03854	0.8
100.02473	2.8
100.07611	1.1
101.00904	0.9
103.00636	0.3
103.02442	2.6
105.03867	0.3
107.08583	0.7
108.04384	0.5
111.02988	0.3
111.03804	0.4
111.05562	1.2
111.08045	0.6
113.00858	0.4
113.02381	2.2
113.04603	0.8
114.09130	0.4
115.02425	0.8
117.02168	0.8
117.02931	0.4
117.03930	0.5
118.03526	1.9
119.01927	1.8
120.02048	0.6
120.03454	0.3
120.04340	0.3
121.01647	0.6
121.03501	0.9
121.10197	0.3
124.07565	0.3
125.54554	0.5
126.04287	1.9
127.03931	1.2
129.00348	0.4
129.03970	0.7
131.00136	0.4
131.01909	1.0
131.03621	0.3
133.03465	2.7
134.03542	0.5
134.06036	0.4
134.10426	0.3
135.03195	2.2
135.04994	0.5
136.07515	0.4
137.02768	0.4
138.03445	1.1
139.01506	0.3
139.05110	0.4
140.10692	1.1
143.01906	0.8
143.03671	0.4
144.05060	0.8
145.03391	0.7
145.04953	1.1
145.16052	0.3
147.01399	1.6
147.03946	0.8
147.05040	0.6
149.02924	0.4
149.04807	0.4
152.01930	0.7
152.07057	1.0
152.08168	0.3
153.04056	0.5
154.03487	0.7
154.13394	32.9
155.01846	0.4
155.13622	0.4
159.05054	1.0
161.02980	1.1
161.04797	1.0
162.09131	0.3
163.05997	0.6
165.09032	0.4
167.03749	0.3
168.03477	0.5
170.03001	3.0
173.03012	0.6
175.02715	0.4
175.04539	0.4
177.04202	0.9
177.05965	0.7
178.06300	0.5
179.05801	1.2
180.06555	0.9
180.11279	0.4
182.08134	0.7
184.04611	0.3
185.03023	0.8
193.08305	0.3
195.07155	0.5
195.08795	0.6
197.05428	0.3
197.06892	1.8
198.05911	0.4
198.07489	1.2
198.12527	10.3
198.18533	96.4
199.18808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01874	2.5
55.05516	4.6
56.02665	1.1
56.96570	2.6
57.03445	1.2
57.07066	1.1
59.04990	0.6
65.03927	0.6
67.05510	16.3
69.03436	1.3
69.07079	5.1
69.22491	0.6
69.42590	1.3
69.43019	2.6
71.04997	100.0
71.29906	0.5
72.04506	0.6
74.09727	8.0
79.05497	26.2
81.03426	0.8
81.07059	7.8
83.05003	2.3
83.08620	1.7
84.41341	0.6
85.02921	2.0
85.06553	1.9
86.09727	0.9
89.08861	0.6
91.05491	6.9
93.07049	19.9
93.07642	1.1
95.05014	0.8
95.08607	4.5
97.06558	2.5
97.10195	0.7
98.21589	0.9
98.97585	11.8
98.98212	0.8
99.08099	0.7
100.07628	2.7
105.03403	1.5
105.07032	8.2
106.52137	0.7
107.04951	0.6
107.08601	45.9
109.06580	0.6
109.10184	0.8
111.04451	2.2
111.11757	0.9
112.99171	0.6
115.52684	1.4
116.97255	3.3
116.98618	5.6
119.08604	2.4
121.02917	0.8
121.06551	1.4
121.10149	29.5
123.08109	2.3
125.09700	0.6
128.06215	1.2
129.07021	1.6
131.08578	14.9
134.95941	0.7
134.99664	2.2
135.11714	0.7
139.11209	1.9
140.00208	0.8
140.04707	0.9
141.07109	0.7
142.07826	2.2
143.08563	3.9
149.09627	18.8
152.97012	0.8
153.06877	0.7
154.08731	0.6
155.54518	1.3
156.09384	1.2
157.10133	6.2
158.01259	1.8
163.11182	1.0
167.06569	1.1
167.10678	3.1
170.10899	0.5
171.11739	1.8
175.98532	3.6
176.02338	1.3
181.12231	1.0
182.08124	0.8
184.05270	1.3
199.03957	0.8
199.07516	3.5
199.11475	1.1
199.13246	1.2
199.14906	8.9
199.18922	32.9
209.04306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58166	0.5
53.03939	0.6
53.82882	0.5
55.01864	1.7
55.05512	6.0
56.96569	25.5
57.03427	2.5
57.07088	3.3
58.06593	0.6
58.99867	0.7
59.04998	0.6
60.07887	0.7
60.08168	11.7
60.35828	0.6
61.02934	4.3
61.66932	0.5
65.03933	0.8
67.05515	1.0
68.05035	2.8
69.03407	1.8
69.07066	4.6
70.06597	9.7
70.60830	1.2
70.61200	1.1
70.98134	3.4
71.04996	3.2
71.08613	1.2
72.04514	1.2
72.08163	1.1
73.02938	2.9
78.90661	0.7
79.05486	1.2
79.27763	0.5
81.03417	1.6
81.07054	1.7
82.01438	3.4
82.06579	2.3
83.04975	2.1
83.08609	3.9
84.04489	1.0
84.08132	2.0
85.01400	2.4
85.02898	3.6
86.06075	1.9
88.99155	2.4
89.00866	0.7
89.03462	1.5
91.05482	0.8
93.07043	1.2
95.06096	46.9
95.08600	1.7
96.04240	1.4
96.08150	0.7
96.42385	0.6
97.02339	0.7
97.02895	2.0
97.10169	2.2
98.03970	2.1
98.97576	4.8
100.02483	7.5
100.07632	1.9
101.00877	3.9
102.00952	0.8
103.02457	5.5
105.03430	0.6
105.04742	1.5
106.02868	1.2
107.08600	0.9
109.01365	2.1
109.02927	0.7
110.02140	1.3
110.09662	1.0
110.97572	10.4
110.99255	0.6
111.02929	0.9
111.08098	1.6
112.99185	2.8
113.00853	1.4
115.02425	2.1
115.03250	1.4
116.97289	1.1
116.98615	2.0
117.04008	0.8
118.01862	1.7
118.03533	2.7
119.01920	5.3
119.02691	1.1
120.02012	0.6
120.03452	0.8
120.08093	0.9
121.02819	1.6
121.03499	1.8
123.02950	0.9
124.01873	1.1
124.95481	1.1
125.02668	3.4
125.03478	0.6
125.04491	0.7
126.04044	1.6
127.02370	0.8
128.02303	0.7
128.10706	2.5
128.98613	10.7
128.99466	0.4
129.00261	0.8
129.02919	2.4
129.03983	3.5
131.00163	2.0
131.01883	3.5
131.05553	1.2
132.95828	1.2
133.01721	0.7
133.03459	6.2
133.95988	0.7
134.06003	0.7
136.07523	0.6
137.02704	1.9
137.05978	1.0
138.03436	14.3
138.05463	1.0
138.12877	0.6
139.04192	1.0
140.10721	7.1
142.03543	0.8
142.96483	1.2
143.00218	1.1
143.01924	1.4
144.03468	0.9
144.05067	1.7
145.01715	0.7
145.03427	2.0
146.03244	0.9
146.99649	3.4
147.01372	2.1
147.03947	13.1
147.05043	4.9
147.54060	1.7
148.03922	0.8
149.01234	1.1
149.02927	0.9
150.96930	1.6
151.04312	2.3
151.97057	0.9
152.01959	1.1
152.05592	1.0
152.07053	1.2
153.03978	3.1
154.03555	1.7
154.12251	0.5
154.13391	13.7
155.01938	0.6
156.98047	6.5
157.01685	1.0
157.03497	2.4
159.05016	2.2
160.04814	1.4
161.03020	0.7
162.04497	1.2
165.00801	0.7
165.06148	1.2
169.04405	1.5
170.02986	6.0
170.06651	5.5
173.03024	1.2
174.99170	32.1
175.00774	1.9
175.02753	2.3
175.04549	3.4
177.06093	1.4
178.04955	1.4
180.06537	1.1
180.10120	0.7
180.13838	2.4
181.02599	2.7
188.07730	0.7
189.05031	1.2
191.03951	0.9
193.00221	30.5
193.03937	1.9
193.05608	0.8
195.08745	2.5
198.00687	1.1
198.02478	1.3
198.05888	0.9
198.07588	1.3
198.11015	1.6
198.12437	3.9
198.14888	12.0
198.18541	100.0
198.98604	0.7
211.01378	1.4
219.03650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.94622	0.6
53.03961	1.5
55.01904	0.7
55.05523	2.2
56.96580	0.7
57.07098	1.1
59.05013	2.7
67.05496	4.0
69.03442	1.5
69.07091	2.1
69.25388	4.0
69.25802	2.1
69.63480	0.8
70.95879	2.2
71.01361	0.7
72.93784	1.5
79.05098	1.1
79.05482	5.1
81.03443	0.7
81.07056	5.5
83.05024	0.7
83.13526	0.6
84.30357	0.7
85.06555	1.4
88.35300	0.7
88.96961	0.8
91.05489	14.7
93.07050	20.3
95.04974	8.7
95.08616	2.2
95.12465	0.7
97.06580	0.9
98.02954	0.7
105.07031	24.5
107.04994	0.8
107.08598	59.8
109.06502	3.5
109.10138	4.3
111.08131	0.7
111.98485	3.6
117.07001	1.0
119.04983	2.1
119.08586	8.5
121.06493	6.7
121.10156	0.9
123.04457	3.5
123.08047	1.5
123.11691	3.3
125.06021	0.8
131.08586	2.6
131.45781	0.8
132.95840	7.3
133.10136	62.6
135.08032	1.1
135.11697	54.6
137.05991	3.1
137.09610	4.3
140.07202	0.7
143.08630	1.1
146.07304	1.2
150.96912	5.5
151.07552	1.0
151.11203	6.2
155.08595	1.8
155.97417	4.6
161.09625	33.1
167.08470	0.9
169.10133	0.9
171.88139	0.7
173.98462	4.6
179.10681	100.0
182.10899	0.9
182.28087	0.7
197.09476	4.0
197.11736	93.1
197.13179	3.5
198.18503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
57.03191	0.6
57.03441	6.3
58.06604	0.8
59.07374	0.4
60.04516	1.1
60.08168	26.5
61.02925	2.9
65.96967	0.5
69.03081	0.7
69.03430	7.7
69.63695	2.4
71.01351	0.9
71.04984	2.0
73.02917	3.3
75.04485	1.5
79.71270	0.4
81.03425	0.8
83.83639	0.4
85.02871	0.5
86.06049	0.4
91.03983	0.4
97.02910	0.6
98.21593	0.5
99.04474	2.7
99.98060	0.4
117.05536	0.9
125.17518	0.5
131.01918	0.5
138.06581	0.5
152.79359	0.4
168.59322	0.5
170.98996	0.8
176.09196	0.7
185.02963	0.5
194.04324	4.1
194.13893	100.0
195.08763	0.7
195.14319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03930	1.0
55.01872	2.1
55.05510	1.0
56.96561	1.1
62.49770	0.3
65.00273	0.3
65.03938	1.6
67.05508	2.5
69.03426	0.8
69.07092	0.8
70.11447	0.5
70.11799	1.3
70.95867	9.3
71.05001	0.7
72.08161	0.5
72.93793	3.8
73.02924	22.2
75.76690	0.4
79.05495	0.9
81.03417	0.4
81.07051	1.3
83.04989	0.4
84.02195	0.4
84.08170	0.5
85.02921	0.6
85.06531	0.7
88.96883	0.8
90.94820	0.9
91.05491	3.0
93.03410	0.7
93.07052	1.1
95.05009	2.1
95.08608	0.8
97.02933	0.4
97.06512	0.5
98.97578	1.1
101.00852	0.4
105.07022	1.5
107.08595	1.9
108.02087	1.9
109.06542	0.6
109.10162	0.7
110.03674	2.0
110.97477	0.4
111.04443	1.5
111.98489	9.9
113.96429	0.9
114.94862	1.1
119.01911	0.4
119.04932	1.3
119.08542	0.7
123.08056	0.9
125.05068	0.7
125.06004	17.8
129.99509	3.5
132.95850	19.3
133.10146	1.6
135.11696	1.3
136.01585	0.5
137.06006	2.8
137.09657	0.9
138.06662	0.6
140.07167	1.2
141.05469	1.7
141.07097	0.4
149.06001	2.5
150.96909	15.8
151.03918	100.0
151.05014	8.0
151.07468	4.1
151.11145	0.7
152.04301	0.5
155.97437	15.7
159.22450	0.4
161.09657	1.0
168.98007	0.5
173.98509	17.4
179.07043	22.0
179.10585	3.6
179.14349	0.6
191.99654	0.4
193.05025	0.4
197.00099	1.2
197.04562	0.5
197.06285	0.6
197.08118	8.8
197.09535	2.1
197.11493	2.6
197.13074	0.6
197.16943	0.4
198.18573	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03952	1.4
55.05510	5.0
57.03431	0.6
57.07081	3.2
59.05011	1.4
63.54591	0.5
65.03956	0.9
67.05511	11.8
69.03470	0.6
69.07076	8.6
69.38146	1.8
69.38568	1.8
76.00200	0.5
77.03958	0.6
79.05495	5.8
81.03423	22.8
81.07065	8.9
83.04990	1.3
83.08619	5.7
85.06553	1.5
86.24306	0.4
91.05485	8.5
93.07057	7.2
95.04979	8.9
95.08615	23.1
95.60305	0.4
97.06500	0.8
103.05460	0.8
105.06318	0.5
105.07033	14.2
107.04975	2.0
107.08607	6.6
109.06528	1.6
109.10167	22.9
111.08102	0.9
115.05479	0.7
117.07014	2.2
119.08591	52.7
121.10171	4.4
123.08100	2.7
123.11720	1.7
129.07024	1.8
131.08589	3.5
133.06532	1.1
133.10139	62.8
134.10817	0.8
135.11705	15.9
137.09634	6.6
142.07790	0.7
145.10123	4.0
146.10904	0.7
147.08052	1.2
147.11702	15.5
148.27760	0.4
149.09709	0.8
149.13271	5.5
151.14825	5.7
157.10132	1.5
159.11652	0.8
160.12483	3.0
173.13315	0.7
173.86472	0.4
175.11430	1.9
175.14838	100.0
176.15164	1.3
185.68060	0.4
193.05009	0.9
193.12241	3.4
193.15892	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.48862	1.2
53.03922	1.4
55.05525	7.9
57.07062	2.0
59.05008	1.4
67.05508	7.8
69.07072	26.0
70.71639	2.8
71.02984	1.5
71.04996	14.5
79.05486	8.0
81.03410	2.8
81.07069	18.4
83.04961	1.7
83.08613	3.2
85.06561	9.8
88.17355	1.1
91.05481	6.6
93.07046	24.3
95.04967	30.3
95.08614	19.0
97.06523	3.6
97.10172	9.5
99.08073	5.9
105.07037	10.8
107.08604	28.5
109.06525	100.0
109.10159	16.8
111.08075	6.0
111.11674	3.6
119.08591	23.0
121.10138	8.1
123.08055	5.1
123.11703	19.6
123.12505	2.5
130.84874	1.4
133.10138	21.9
135.11699	36.9
137.09627	11.5
147.11626	2.9
147.81599	1.5
149.13298	10.7
151.11198	4.9
175.14842	40.7
193.04950	2.3
193.15895	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.53573	1.4
55.05517	8.0
57.07069	3.7
57.21646	1.5
58.12751	1.5
67.05521	10.7
69.07072	14.4
79.05477	6.6
81.03427	16.9
81.07050	12.4
83.04973	2.5
83.08621	4.7
85.06538	2.9
91.05482	11.2
92.32838	1.6
93.07047	8.0
95.04958	6.9
95.08607	25.0
97.06532	4.2
98.21532	3.4
105.07042	16.1
106.87116	1.5
107.08591	8.7
109.06515	8.6
109.10162	24.8
116.76021	1.4
119.08591	55.1
121.10155	7.2
123.08067	7.3
123.11711	2.8
133.06482	1.9
133.10143	64.3
135.11705	19.8
137.09608	8.5
145.10112	4.1
147.11703	17.5
149.13275	4.4
151.14818	6.6
160.12497	4.0
175.14836	100.0
193.04997	3.2
193.12234	2.9
193.15900	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03928	2.5
53.64684	0.9
55.01861	0.9
55.05514	8.8
56.96552	0.9
57.03439	1.7
57.07063	3.5
65.03925	2.1
67.05187	1.4
67.05508	17.2
69.03426	1.6
69.03898	0.8
69.07076	10.9
70.02895	0.9
70.55012	1.1
70.64357	1.1
70.64705	2.3
71.04972	1.5
79.05496	12.1
81.03422	42.7
81.07057	15.8
83.04967	2.5
83.08623	9.0
85.06543	1.7
91.05490	17.3
93.07046	11.5
95.04969	17.1
95.08613	25.2
97.02932	0.9
97.06541	1.2
103.05470	1.0
104.06235	1.0
105.07037	24.8
107.04951	3.5
107.08614	9.5
109.06520	4.1
109.10157	23.6
111.04420	1.2
111.08057	2.2
115.05447	2.5
117.07024	3.7
119.08587	60.3
121.06492	1.1
121.10157	5.8
123.08060	3.6
123.11703	1.6
129.07007	4.8
131.08577	4.5
133.02855	2.6
133.06514	5.0
133.10139	69.0
134.10696	1.4
135.11702	17.7
137.09624	8.9
145.10117	4.1
147.08043	1.2
147.11688	18.8
149.09647	2.2
149.13232	4.7
151.14838	4.5
153.20105	0.9
157.10139	3.0
158.02287	1.1
160.12535	2.2
161.06003	4.3
173.13275	1.3
175.11211	4.1
175.14835	100.0
178.02615	1.9
193.04973	10.2
193.08539	1.4
193.12238	7.8
193.14154	1.3
193.15895	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03936	2.7
53.92041	0.8
54.11805	0.8
54.18231	0.8
55.01861	1.4
55.05512	8.4
56.96603	0.9
57.03437	1.2
57.07074	3.7
58.91201	0.8
59.04999	0.8
60.01647	0.9
65.03937	1.5
67.05508	19.2
69.03432	1.9
69.07069	7.9
71.04358	1.1
71.04990	1.6
79.05493	11.2
81.03421	48.4
81.07066	15.4
83.04976	2.8
83.08619	9.0
85.06548	2.1
91.05483	18.6
93.07040	10.9
95.04974	20.3
95.08615	23.4
97.02873	1.5
97.06526	1.4
97.10158	0.9
105.07037	25.3
107.04951	3.4
107.08601	10.4
109.06510	2.8
109.10160	18.8
111.04404	1.1
111.08089	1.8
115.05470	1.6
117.07001	1.8
119.08586	57.7
121.10156	5.1
123.08098	2.8
123.11710	1.1
129.07001	3.9
131.08577	6.6
133.02898	2.0
133.06480	4.8
133.10133	65.3
135.11690	14.6
137.06003	1.0
137.09621	8.3
145.10126	3.8
147.08032	2.5
147.11687	20.0
149.09633	3.6
149.13277	4.6
150.51093	1.1
151.14845	4.1
157.10133	4.5
160.12448	2.3
161.05980	4.6
173.13274	1.5
175.11388	5.6
175.14830	100.0
178.02670	2.4
186.32520	0.8
193.04961	11.3
193.12262	9.0
193.15886	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03937	5.7
55.01862	3.6
55.05517	11.3
57.03428	4.2
65.03957	1.5
67.05509	36.5
68.26874	1.3
68.75859	1.2
69.03426	1.7
69.07080	7.1
69.27402	9.2
69.99652	1.2
71.04987	5.7
73.13770	1.2
77.03886	1.4
79.05495	40.8
81.03421	100.0
81.07063	27.7
82.03725	1.4
83.04980	7.3
83.08626	13.2
85.06537	3.5
91.05484	60.7
93.06492	2.0
93.07050	38.0
94.24661	1.2
95.04969	44.4
95.08633	2.5
97.02863	2.3
97.06538	6.2
105.04487	1.9
105.07033	34.7
107.04974	10.4
107.08588	6.0
109.06548	8.6
109.10109	1.4
111.04430	3.2
111.08098	4.3
115.05463	2.1
117.07035	2.2
119.04916	2.5
119.08583	24.9
121.06518	2.2
121.10153	6.1
123.08093	1.2
128.06256	1.5
129.07022	18.1
131.08560	23.4
133.02885	1.4
133.06497	6.1
133.10135	76.7
135.11688	2.4
137.06068	1.2
137.09621	2.6
142.07762	5.9
145.05067	2.7
147.08049	6.4
147.11681	29.9
149.09630	27.1
157.10136	29.3
161.05992	2.4
165.12788	1.8
173.33337	1.1
175.11191	34.9
175.14839	4.4
193.05153	6.2
193.12244	44.2
193.15878	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.29866	0.9
53.03937	4.0
55.01866	2.6
55.05513	7.3
55.99687	0.9
56.44979	1.0
56.96580	4.6
57.03440	32.8
65.03940	1.5
67.05508	22.0
69.03419	2.6
69.07053	2.8
69.95532	3.9
70.98110	2.3
71.04983	1.7
73.94539	0.9
73.98152	0.9
77.03964	0.9
79.05492	14.4
81.03422	100.0
81.07066	10.7
83.04979	4.0
83.08611	11.4
85.06540	2.7
91.05483	31.5
93.07045	28.8
95.04971	37.8
95.08614	3.2
97.02883	2.0
97.06548	2.1
97.99220	1.6
98.21486	1.8
103.05412	1.2
105.07032	22.2
105.15145	1.1
107.04931	8.0
107.08615	5.2
109.06517	3.6
109.10152	5.0
111.04436	1.6
111.08077	2.7
115.05442	1.7
117.06992	2.9
119.04858	0.9
119.08586	35.7
121.06510	19.7
121.10138	3.2
123.07984	1.3
128.06242	1.9
129.07007	8.9
131.08604	7.1
133.06503	6.4
133.10141	13.4
135.08020	1.9
135.11633	1.2
137.09605	8.1
142.07762	4.4
144.55283	1.1
146.07254	4.6
147.08047	13.1
147.11697	16.9
149.09631	4.4
150.06219	2.2
157.10138	8.8
159.06776	2.4
160.08800	2.4
165.12749	1.4
175.11185	23.1
175.14737	1.7
184.52863	1.2
193.04977	4.2
193.12251	13.5
193.15816	1.1
194.04654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03748	1.2
53.03949	14.2
53.12989	1.4
55.01872	3.8
55.05510	13.3
56.96568	2.2
57.03437	2.7
59.04995	1.4
65.03933	3.8
67.05509	43.4
68.62506	1.2
69.03428	2.6
69.07072	8.0
70.98133	2.2
71.04986	12.0
71.08436	2.9
77.03940	4.0
77.44831	1.3
79.05499	74.3
81.03423	100.0
81.07059	30.3
83.04981	11.0
83.08616	17.0
85.06558	3.2
91.05487	97.6
93.07050	97.3
93.07915	2.1
95.04974	48.2
95.08601	4.4
97.02882	1.6
97.06507	4.5
97.10151	1.9
105.04539	4.4
105.06325	2.8
105.07032	43.5
107.04951	8.6
107.08596	5.6
109.06517	9.1
111.04433	2.0
111.08074	3.1
113.06004	3.5
115.05460	4.2
117.07038	1.5
119.08604	21.0
120.99102	1.2
121.06505	1.7
121.10158	4.1
127.07542	2.0
128.06264	1.7
129.07004	22.2
131.08586	27.9
133.02840	1.5
133.06488	5.4
133.10133	80.1
142.07799	4.6
145.10150	1.8
147.08109	7.9
147.11691	21.6
149.09607	5.6
150.06213	3.3
157.08952	2.4
157.10139	27.6
161.05962	1.7
165.12833	1.9
173.72139	1.3
175.11188	25.6
175.12578	2.3
178.02672	2.0
193.05017	7.3
193.12263	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.47208	1.0
51.02390	1.3
53.03949	8.5
55.01866	2.9
55.05516	8.8
56.96560	5.8
57.03427	1.8
59.04972	1.5
65.03941	2.0
67.05509	36.2
69.03395	1.0
69.07071	8.1
70.51318	1.7
70.51656	1.5
70.98119	7.1
71.04998	11.7
72.60605	1.0
73.06535	1.2
74.00874	1.1
76.02148	1.0
77.03925	2.9
79.05496	63.7
81.03403	4.8
81.06600	1.7
81.07059	28.3
83.04982	8.9
83.08624	4.9
85.06518	2.3
87.04474	1.1
91.05485	86.9
93.07047	100.0
95.04972	19.8
95.08639	5.0
97.06546	7.7
105.04493	2.9
105.07037	41.9
107.04948	2.5
107.08584	10.6
109.06513	14.7
110.97565	1.8
111.08067	3.3
113.05991	3.2
115.05431	2.4
117.07025	2.2
119.08595	27.7
121.04130	1.1
121.10124	3.6
123.08058	2.9
125.04404	1.5
127.07572	1.8
129.07011	18.5
131.08566	24.3
133.06459	2.5
133.10130	82.4
134.04886	10.0
136.55179	1.5
137.06012	1.3
137.09583	1.0
141.05774	1.3
142.07770	4.2
143.05400	7.5
145.10066	1.3
145.55681	1.3
147.08060	6.1
147.11690	32.8
149.09592	2.8
150.06200	10.0
154.56116	1.7
157.10124	31.9
159.06740	6.2
161.56996	3.5
165.12737	4.6
170.57458	1.5
175.11201	25.8
175.14703	1.3
192.30046	1.2
193.04962	4.7
193.12263	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
53.03914	0.2
61.02188	0.1
63.96851	0.1
66.50922	0.2
67.16806	0.1
68.99818	0.2
70.11715	0.7
77.03928	0.4
79.05496	0.2
81.03425	0.3
89.03941	0.7
91.05476	0.4
94.04200	0.7
95.05018	0.2
105.03399	0.9
105.07047	0.4
107.04945	0.2
108.62135	0.2
109.06516	0.3
110.81557	0.2
117.03378	0.7
122.03657	4.2
133.02863	32.7
133.10141	0.4
134.03630	0.3
134.07425	0.2
137.05989	9.2
149.06000	2.8
150.03123	3.1
150.04259	0.3
150.93248	0.2
161.02370	0.6
161.05934	0.3
165.05492	3.2
178.02621	20.3
193.04974	100.0
194.05307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02385	0.2
56.96561	0.2
57.03440	0.5
70.11168	0.8
77.03941	0.6
79.05508	0.3
81.07067	0.2
84.00521	0.2
89.03935	0.6
91.05476	0.6
94.04190	0.6
97.76292	0.2
105.03418	0.8
105.07021	0.3
107.04942	0.4
109.06538	0.3
117.03391	0.5
122.03656	3.9
130.12831	0.2
133.02866	35.0
133.10133	0.4
134.03552	0.4
137.05991	10.0
137.09615	0.3
149.06007	2.7
149.67999	0.2
150.03145	2.9
161.02368	0.5
165.05495	2.8
175.14839	0.2
178.02625	20.7
179.02939	0.2
184.96767	0.2
193.04980	100.0
194.05341	1.0
210.42450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01871	3.5
55.05511	1.5
56.96574	0.7
57.03416	0.3
57.07061	0.9
59.04991	0.4
67.05522	1.8
69.03436	2.7
69.07069	12.7
71.04999	0.6
74.69336	0.3
77.03934	0.4
79.05489	3.1
81.03416	0.4
81.07056	3.2
83.04990	2.3
83.08616	1.2
85.06532	0.3
90.40242	0.3
91.05487	4.4
93.07047	12.1
95.04977	1.0
95.08610	3.4
97.06515	2.0
103.05486	0.5
105.07035	4.8
107.04952	0.6
107.07879	0.6
107.08598	11.4
108.39913	0.3
109.06538	1.9
109.10177	1.8
111.04384	0.3
115.05450	0.6
117.07001	1.9
119.08582	3.7
121.06506	14.1
121.10148	7.7
121.10861	0.2
121.11017	0.3
123.08075	2.6
123.11677	0.7
131.00194	0.3
131.04901	0.5
131.08575	5.8
133.10144	8.2
135.08057	8.8
135.11719	3.6
137.09637	1.0
141.96953	0.6
143.08539	1.1
144.09334	0.6
145.10133	4.5
146.05971	0.5
147.11691	20.6
148.03926	0.4
148.08812	0.4
149.06003	0.3
149.09657	3.3
149.13263	6.7
149.14403	0.6
150.02740	0.3
158.10902	2.1
160.04904	0.3
161.09610	5.4
163.11157	0.8
163.14822	2.2
173.09608	0.8
173.13268	10.1
174.05598	0.3
175.11307	0.3
176.10558	0.3
176.11932	1.6
191.03484	2.6
191.06915	1.4
191.10786	2.7
191.14310	100.0
192.14688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01857	3.5
55.05502	4.1
56.96545	2.0
61.80454	1.6
65.03938	2.0
67.05244	1.6
67.05513	18.1
69.03416	3.3
69.07050	6.4
69.29070	11.6
69.29471	3.9
71.04995	20.8
79.05502	10.6
81.07072	10.9
83.04971	1.9
83.08629	2.0
85.06540	7.0
91.05494	13.7
93.07032	11.9
95.04980	11.6
95.08602	12.8
95.30136	1.8
97.06522	5.7
98.20743	3.2
105.07034	22.6
107.08600	31.0
109.06524	79.1
109.10161	78.9
115.05460	2.3
117.07021	6.9
119.08585	7.7
121.06506	4.2
121.10149	28.5
123.08080	16.6
131.08571	41.8
133.06560	2.4
133.10118	27.2
135.08057	83.6
135.11649	2.9
143.08575	3.8
145.10143	10.4
145.62378	1.7
147.11725	8.6
149.09660	11.7
149.13297	9.3
150.10490	2.3
158.10912	7.3
163.11256	2.3
163.14766	1.7
173.13264	52.1
191.03456	2.1
191.14320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32526	0.6
55.01881	5.1
55.05504	1.8
57.07066	0.5
59.25647	0.7
65.03983	0.6
67.05489	0.9
69.03431	1.5
69.07073	12.3
69.21980	5.9
79.05487	2.9
81.07043	2.4
83.04972	1.9
91.05489	4.0
92.29492	0.6
93.07050	10.9
95.04939	0.7
95.08607	2.3
95.14459	0.6
97.06531	1.5
103.05498	0.5
105.07045	4.8
107.04995	0.8
107.08603	11.5
109.06514	1.3
109.10150	1.5
117.07016	1.8
119.08604	3.3
121.06512	11.4
121.10147	9.5
123.08068	1.8
123.88618	0.5
131.08586	5.2
133.10159	7.6
135.08073	6.4
135.11719	3.0
137.09633	1.7
143.08525	0.9
145.10107	3.6
147.10518	1.2
147.11688	19.7
149.09615	2.7
149.13263	8.3
158.10875	2.0
161.09657	5.6
163.14793	1.6
173.09628	0.9
173.13284	8.9
176.12000	1.8
178.46184	0.6
191.10672	2.4
191.14317	100.0
201.18613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.66268	0.7
53.03939	3.7
55.01858	1.1
55.05515	6.4
57.07078	1.8
57.31352	0.8
59.05002	0.8
65.03959	0.9
66.32629	0.8
67.05502	6.6
69.03431	20.7
69.07069	6.8
70.82143	2.2
74.60666	0.9
75.34158	0.8
77.03909	1.0
79.05498	36.7
81.03413	1.4
81.07065	36.4
83.04979	9.7
83.08628	2.1
85.06552	1.9
91.05482	16.1
91.86560	0.8
93.07051	13.8
95.04958	3.2
95.08623	7.0
97.06524	2.4
105.04494	1.2
105.07038	15.2
107.04966	23.6
107.08604	55.7
108.08071	0.9
109.06512	4.6
109.10155	8.6
110.07281	1.1
111.08084	2.1
113.49209	0.9
115.05437	1.4
116.06238	0.9
116.71177	0.9
117.07047	3.4
118.07816	1.9
119.08599	7.7
121.06523	10.1
121.09327	1.5
121.10147	18.7
122.07292	3.3
123.08061	2.7
130.07867	1.3
131.08577	10.2
133.10141	100.0
135.08069	10.4
135.11685	2.9
137.09621	22.0
143.08577	2.7
144.09396	1.3
145.10146	5.8
147.11679	6.6
149.09618	5.4
149.13266	15.4
158.10902	5.4
161.09633	1.6
163.14828	3.4
173.13290	17.3
191.14317	70.9
202.63037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.50776	0.9
55.01839	1.4
55.05517	6.1
56.96554	2.7
57.07067	2.1
58.51543	0.9
61.29578	1.0
64.00706	0.9
66.92953	0.8
67.05489	4.4
69.03090	1.1
69.03437	14.3
69.07063	9.5
69.66724	5.6
71.04982	4.7
79.05497	8.0
81.07062	6.5
83.04996	11.7
83.08612	2.4
85.06544	2.7
91.05479	12.3
93.06580	1.0
93.07053	11.2
93.33881	1.0
95.04972	2.1
95.08600	7.3
95.57559	0.9
97.06532	6.0
97.99178	1.5
98.21455	1.9
102.62345	0.9
103.05466	9.2
105.03381	1.6
105.07038	21.5
105.21829	0.9
107.04951	2.9
107.07886	1.8
107.08598	33.1
109.06534	4.6
109.10142	3.7
111.08076	2.0
113.12849	1.0
115.05434	1.8
117.07014	4.5
118.04165	1.9
119.08591	12.3
121.06515	8.7
121.10154	17.3
123.08064	8.5
129.06995	2.6
129.15889	0.9
130.04179	1.5
130.07732	2.0
131.04938	8.2
131.08574	30.0
133.02892	1.8
133.06447	1.0
133.10135	68.1
135.08049	14.1
135.11691	3.1
137.09563	1.1
143.08565	4.9
144.09341	2.2
145.10138	14.0
147.08044	1.7
147.11691	11.0
148.05241	6.2
149.01228	1.3
149.09616	8.8
149.13245	8.9
158.10939	10.7
161.09615	4.2
163.07535	8.3
163.14857	3.3
173.13266	39.6
176.11946	2.2
191.07016	8.9
191.14311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05516	5.0
55.54162	0.7
56.96530	0.9
57.07057	0.9
57.78048	0.7
59.61979	0.8
62.47917	0.8
67.05495	3.5
68.58797	0.7
69.03436	11.8
69.07091	4.8
70.56650	2.3
70.57003	0.9
71.04990	2.1
79.05484	5.9
79.92496	0.8
81.07054	5.6
83.04978	10.8
83.08610	1.4
85.06555	2.1
91.05485	9.5
93.07059	7.6
95.08607	5.0
97.06534	4.6
105.07034	19.3
105.47878	0.8
107.04950	1.0
107.08599	26.1
107.27771	0.9
109.06512	3.8
109.10136	2.7
111.08089	1.5
117.06998	3.2
119.08584	9.1
119.70277	0.8
121.06499	3.5
121.10151	15.9
121.79746	0.7
123.08067	6.1
129.07014	2.9
130.07733	1.3
131.08571	26.0
133.10135	71.5
135.08069	13.8
135.11670	1.7
136.08871	0.9
136.75055	0.8
143.08568	5.1
144.09357	1.5
145.10132	12.5
147.11717	9.1
148.08881	1.1
149.09657	5.9
149.13277	7.7
152.07610	0.8
158.10912	10.0
161.09616	4.0
163.14806	2.1
173.13269	36.5
176.11958	2.0
191.07028	1.3
191.10699	3.6
191.14311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01857	1.0
55.05502	6.3
56.96560	1.5
57.03422	2.1
57.07066	4.6
65.41528	1.0
67.05506	6.1
69.03429	11.3
69.07072	9.7
69.68766	3.7
71.04986	5.3
78.26152	1.0
79.05499	7.9
81.07057	11.2
83.04991	8.7
83.08609	3.8
84.08145	1.1
85.06526	3.7
86.20981	1.1
91.05481	20.1
93.07049	15.1
95.04956	4.1
95.08601	10.3
97.06522	5.7
98.97610	1.4
99.08096	1.5
103.02139	2.0
103.05499	1.1
105.07035	35.8
107.04968	1.9
107.08598	35.0
107.44691	1.1
109.06527	7.6
109.10155	7.3
111.08099	2.3
114.05488	2.0
115.05432	2.3
116.06228	1.3
117.07023	8.0
119.08591	25.3
120.04793	1.6
120.08102	1.2
121.06519	6.7
121.10153	23.1
123.08082	11.8
123.11709	2.0
129.06987	4.0
130.07819	1.2
130.31485	1.0
131.04953	1.9
131.07602	2.4
131.08572	41.8
132.96269	1.0
133.10136	66.4
135.08066	19.6
135.11684	3.3
137.09618	2.1
137.66542	1.1
143.08562	6.9
144.09360	2.1
145.07568	1.7
145.10144	20.0
146.06006	2.5
147.07986	1.8
147.11700	23.0
149.01173	1.1
149.09634	11.7
149.13272	15.8
156.09383	1.3
158.10913	10.8
161.09615	3.1
163.07611	1.9
163.11212	1.8
163.14871	5.7
173.07239	1.2
173.09723	2.0
173.13277	49.0
176.11977	2.0
191.03424	2.0
191.07050	4.3
191.10718	6.5
191.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.24628	0.8
53.03933	1.2
55.05504	4.4
57.03422	2.1
57.07066	2.9
59.04992	3.5
67.05509	5.3
69.03411	3.4
69.07073	6.9
69.68130	6.2
71.05000	5.1
79.05508	8.1
81.07060	12.2
83.04974	3.1
83.08615	3.2
85.06533	3.5
91.05487	16.3
93.07050	12.3
95.04971	2.6
95.08621	9.2
97.06546	7.3
105.07040	37.6
107.04960	1.3
107.08605	25.7
109.06525	6.7
109.10149	5.6
111.08082	2.1
115.05463	1.4
116.06203	1.0
117.07046	5.5
118.07835	1.6
119.08590	18.6
121.06516	3.6
121.10141	17.2
123.08076	5.6
129.07004	4.7
131.08578	46.5
132.21410	1.1
133.10139	100.0
135.08063	12.1
135.11679	3.4
143.08565	8.5
144.09383	5.7
145.10133	22.2
147.11702	17.9
149.09616	4.5
149.13269	16.1
158.10925	15.2
161.09720	1.3
163.11162	1.9
163.14839	2.9
171.11729	2.4
173.13278	62.0
176.11960	1.1
191.08408	1.3
191.14322	57.2
193.64156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03952	1.5
55.01863	1.7
55.05523	5.9
56.96562	2.1
57.03442	1.3
57.07061	2.7
61.67345	1.1
65.03925	1.9
67.05506	7.9
69.03088	1.6
69.03433	22.2
69.03812	1.5
69.07069	20.2
69.55924	4.9
69.56339	2.3
71.04992	2.8
73.02924	1.1
79.05497	11.8
81.03402	1.4
81.07059	11.7
83.04986	6.2
83.08594	3.6
85.06541	3.2
91.05486	26.8
93.07044	13.0
95.04957	3.5
95.08617	13.7
97.06546	5.8
98.97591	2.6
103.05464	2.2
105.04494	1.1
105.07035	28.2
107.04972	2.3
107.07880	1.7
107.08601	32.8
109.06515	9.6
109.10177	5.1
110.97562	2.0
111.08066	3.6
114.60306	1.0
115.05419	2.3
116.06239	2.2
117.07023	13.3
119.06069	1.1
119.08582	24.2
121.06517	5.7
121.10145	25.4
123.08054	8.3
123.11721	1.0
128.06198	2.4
129.07018	9.5
130.07777	4.0
131.04935	1.2
131.08582	41.3
133.10136	24.2
135.08061	22.6
135.09009	0.7
135.11722	6.7
136.08792	1.1
141.40657	1.0
143.08572	16.8
144.09358	5.3
145.01503	1.3
145.06468	1.7
145.07564	1.5
145.10129	24.3
146.06020	1.9
147.11687	13.7
149.01215	1.5
149.09642	10.5
149.13274	12.2
149.96107	1.0
155.04948	1.7
157.10127	1.3
158.10898	17.5
161.09601	1.3
161.13222	1.3
163.11194	3.3
163.14832	5.5
171.11707	1.1
173.05966	6.1
173.13271	46.4
176.12013	1.9
191.06992	3.9
191.10674	3.7
191.14314	100.0
192.14700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32573	0.8
51.84142	0.7
53.03931	0.8
55.01859	1.3
55.05518	4.5
56.96555	1.4
57.07069	1.2
57.94741	0.7
60.30928	0.7
63.81697	0.7
67.05497	3.1
69.03436	7.8
69.07068	7.0
69.37582	1.8
69.37992	5.2
71.04989	3.0
79.05494	4.5
81.07076	4.8
83.04984	7.0
83.08611	3.1
85.06519	1.8
91.05496	10.8
93.07062	7.9
95.04968	1.7
95.08620	4.8
97.06535	4.9
98.97588	2.2
100.75961	0.7
103.05494	4.8
105.03441	0.9
105.07039	25.1
107.04941	1.4
107.08603	26.4
109.06526	3.4
109.10152	2.4
111.08073	0.8
113.09618	1.1
115.05461	2.0
117.07011	3.8
119.08595	15.3
121.06493	2.5
121.10150	12.8
123.08070	5.0
123.11690	1.1
129.07011	2.1
130.07777	1.0
131.04924	3.0
131.08569	20.8
133.10141	80.1
135.08055	9.8
135.11688	2.6
136.01671	0.8
138.67899	0.7
143.08528	3.6
145.06499	1.3
145.10132	11.0
146.06015	1.0
147.08031	1.2
147.11685	8.5
148.05205	2.3
149.01198	0.9
149.09639	6.8
149.13251	8.0
158.10898	6.8
158.99706	1.4
161.09616	1.8
163.07567	4.7
163.11172	1.1
163.14835	1.6
169.02029	0.8
173.13280	30.3
176.11931	1.3
177.00751	1.4
191.06972	5.1
191.10699	2.4
191.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44902	0.8
53.03932	1.4
55.05503	2.1
56.96558	1.7
60.78697	0.9
65.60263	0.7
67.05487	1.2
69.03431	11.1
69.26981	7.3
71.04995	1.3
79.05497	1.5
81.07039	1.3
83.04971	4.5
84.96004	1.2
85.02911	3.7
86.09716	1.2
87.04458	1.0
91.05485	8.4
93.07024	2.8
95.04932	1.4
95.08588	2.8
98.97591	1.6
99.04455	1.9
103.05489	1.1
105.07028	11.4
107.08582	3.7
109.10139	0.9
111.04457	1.5
115.05436	1.7
116.98672	0.7
117.07043	4.1
119.08579	17.3
121.06517	1.0
128.06206	5.6
129.03348	2.5
129.05457	2.4
129.07001	15.9
130.07785	4.4
131.04924	2.1
131.08578	7.2
133.06470	3.0
133.10132	8.9
141.06990	5.6
142.07843	0.8
143.08551	8.3
144.09320	1.9
145.06477	1.3
145.10127	18.7
146.07307	1.4
146.10896	0.9
147.06435	1.6
147.08037	5.6
147.10670	1.3
147.11708	16.3
155.08554	2.3
156.09349	46.8
157.06508	7.0
158.07272	3.0
159.08031	3.6
159.11685	9.7
159.33859	0.7
160.05179	0.9
161.05896	4.3
161.09660	4.4
161.13237	3.6
171.11688	59.4
174.06770	19.2
174.10345	7.1
189.05470	9.7
189.09114	39.2
189.12735	100.0
189.16287	4.8
190.13132	1.0
199.25433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01883	0.4
55.05320	0.3
55.05517	4.3
56.96575	2.9
59.05001	0.7
60.95828	0.4
61.02913	1.4
64.95547	0.4
65.03943	0.8
67.05515	2.7
69.03090	0.6
69.03436	10.5
69.07071	2.1
71.04974	1.2
71.12647	0.9
79.05497	4.1
81.03408	1.3
81.07057	4.4
83.04987	6.6
83.08627	0.6
85.02899	1.2
91.05485	8.3
93.07063	2.7
95.04958	2.8
95.08591	1.6
99.04452	2.2
99.32545	0.4
103.05460	0.8
105.07041	16.6
106.96588	2.2
107.05009	0.7
107.08604	3.6
109.06535	5.4
109.10107	0.6
111.03777	0.5
111.04501	2.1
115.05442	1.3
116.06203	0.8
117.03989	0.6
117.07004	3.8
119.08589	22.2
121.06522	2.4
121.10148	1.1
124.04647	1.1
124.97609	1.2
125.05954	0.4
128.06261	3.0
129.03357	4.0
129.05510	5.4
129.06998	4.0
130.07796	1.8
131.04887	0.6
131.08577	13.7
132.09348	0.6
133.05176	0.5
133.06477	1.5
133.10141	10.0
135.08075	1.3
138.06006	3.5
138.56085	0.7
141.06987	2.5
142.07733	1.0
142.98689	1.0
143.08568	7.5
144.09329	0.5
145.06503	1.8
145.10132	11.1
146.04140	0.6
146.07274	1.0
146.10918	5.0
147.06717	0.7
147.08057	9.4
147.11697	32.5
149.56792	0.8
154.49643	0.6
155.08551	0.8
156.08064	0.9
156.09360	13.4
157.08643	2.0
157.54915	0.5
158.07231	0.6
159.08069	13.8
159.11688	1.7
160.05154	0.9
160.08765	1.3
161.05968	2.2
161.09662	3.6
161.13260	6.3
166.09169	6.0
166.59341	0.8
168.59369	1.1
169.41461	0.4
171.08073	0.6
171.11699	15.4
173.09627	2.2
174.06770	0.8
174.10414	20.7
177.59894	2.3
189.05429	8.2
189.09209	4.5
189.12749	100.0
190.13191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0394
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
53.03947	1.3
55.01876	25.6
55.05512	7.0
56.05035	2.2
57.03441	32.3
59.04992	4.9
60.08168	26.6
61.02922	4.5
67.05508	2.9
68.99773	1.3
69.03433	7.1
70.06583	4.7
70.50248	1.3
70.50585	1.8
71.01361	14.9
71.04992	4.2
71.45881	0.9
72.08159	45.8
73.02922	13.4
75.04493	1.5
83.01360	5.2
83.04993	5.1
84.04507	2.3
84.08150	100.0
85.01424	1.1
85.02905	6.6
85.06561	1.5
86.09715	4.7
87.00858	1.2
87.04473	24.8
89.02419	5.3
89.53512	1.2
95.01333	3.0
98.97563	1.1
99.03908	1.2
99.04492	2.1
101.00937	2.4
101.02385	51.7
103.02455	1.7
103.03953	5.5
111.00829	4.3
111.04435	2.1
113.00765	1.0
113.02370	4.5
115.03940	49.7
118.08647	9.7
119.01923	7.3
119.08620	1.7
121.01684	3.0
121.02882	1.4
126.09183	1.8
127.00302	1.4
127.03888	1.4
129.01834	16.7
129.03384	4.1
129.05499	3.2
130.04965	1.5
130.08650	45.5
130.09631	2.4
131.01900	1.7
131.03438	1.1
132.10161	1.8
133.03377	2.1
135.12898	1.0
137.03038	1.4
139.00293	1.5
143.01877	1.6
143.03395	3.5
143.11810	3.5
144.13901	3.1
145.03453	3.3
147.01407	1.4
147.05055	1.5
149.02815	1.2
157.01341	48.1
159.03038	1.4
161.02885	2.1
161.06003	1.4
175.02448	3.2
189.02547	1.4
189.03966	2.7
189.05548	12.2
189.07431	2.2
189.09154	2.3
189.12567	4.2
189.15988	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
58.11475	0.4
64.06225	0.4
71.44788	0.5
79.33840	0.5
85.79807	0.5
91.05469	3.4
115.05468	4.3
117.05772	0.6
117.07014	3.8
118.06542	67.9
128.04953	0.5
130.73119	0.5
142.06522	5.9
143.07310	10.6
144.04463	1.1
144.08083	24.1
146.06009	100.0
147.06351	0.7
155.06055	1.2
160.07643	0.6
170.06009	8.6
188.07071	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.19599	0.3
51.68320	0.4
53.03948	0.6
55.01865	0.6
55.05507	2.6
56.96567	6.0
57.03439	0.5
57.07077	3.5
58.78289	0.3
59.05006	0.8
63.84944	0.4
65.03957	0.8
67.05508	18.8
69.03437	1.4
69.07071	0.8
71.04996	1.4
71.33815	0.6
79.05506	2.6
81.03433	2.1
81.07066	5.3
83.08632	3.2
84.04503	0.6
84.08141	0.6
85.02905	0.7
85.06554	0.8
85.08470	0.4
88.02221	4.6
90.32266	0.3
91.05491	5.0
93.07051	1.6
95.04984	0.8
95.08616	2.6
97.02884	0.4
98.97559	0.4
99.04455	0.6
101.96289	0.5
104.99269	2.2
105.03444	0.5
105.07040	8.3
107.05012	0.4
107.08583	2.7
109.02865	0.7
109.06510	0.4
109.10163	17.0
109.12933	0.4
110.96832	1.1
111.08099	0.8
115.05450	0.8
116.06244	0.8
117.07029	6.1
119.08587	9.4
119.97340	5.3
122.12307	0.4
122.47491	0.7
123.57330	0.4
127.03916	0.9
128.06238	2.4
128.97856	6.4
128.98752	0.5
129.06999	3.7
130.07802	5.6
131.04953	0.5
131.08580	9.9
131.48141	5.0
132.57788	0.4
133.10130	1.5
137.09624	0.7
137.36955	0.4
137.98380	2.7
140.48656	5.4
140.98711	0.4
141.07014	2.1
141.58257	0.4
142.07802	0.8
142.98940	1.1
143.08575	8.8
144.09377	3.8
145.06509	1.3
145.10130	100.0
146.10483	0.8
149.49208	2.1
151.99467	1.8
153.06960	0.7
154.07788	2.7
155.10683	0.7
157.06522	0.8
157.10146	7.3
157.11342	0.6
158.10928	5.2
159.06923	0.5
159.08109	1.6
159.11700	14.6
161.00009	0.4
166.08308	0.9
167.08473	0.4
169.10146	6.6
170.10896	0.5
172.08850	5.5
172.12465	7.4
173.00757	0.5
173.11737	3.6
185.13269	1.0
187.03937	1.2
187.07631	1.3
187.11220	21.8
187.14828	70.9
187.22556	1.3
188.11638	0.4
188.15199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32670	0.7
53.03944	1.0
55.05514	12.1
56.96567	3.0
57.03431	3.3
57.07077	1.2
59.05005	5.8
65.03924	1.7
67.05505	100.0
69.03424	3.7
69.07061	1.8
71.04988	3.4
71.54994	1.3
79.05482	3.1
81.03395	2.4
81.07056	14.8
81.15140	0.7
83.08620	9.8
85.02921	1.6
85.06570	4.2
88.02221	7.4
91.05477	7.0
92.77065	0.8
93.07035	3.3
95.04961	1.4
95.08607	8.3
97.02913	1.3
99.04475	1.0
104.99281	4.1
105.07024	3.2
107.08613	1.7
109.10160	93.4
110.96786	1.6
111.08097	3.8
113.00003	3.5
117.07024	3.5
119.08578	9.0
119.97318	3.0
128.97830	3.4
129.07014	1.6
130.07715	0.8
131.08569	6.2
131.48125	2.7
133.10080	1.6
137.09610	3.4
137.98322	1.2
140.48640	2.4
142.98901	1.1
143.08540	1.3
145.10127	10.5
149.49084	1.1
155.10648	5.2
157.10065	1.0
159.08023	1.5
159.11694	2.9
169.04929	0.9
169.10052	1.2
172.12514	0.9
173.11745	19.2
175.16710	0.9
187.07585	1.7
187.11227	6.8
187.12697	1.5
187.14827	11.8
202.11505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
55.01882	2.0
55.05512	12.3
56.96567	48.4
57.03440	3.0
57.07062	2.1
59.04995	4.8
64.59946	1.2
65.03937	2.1
67.05506	100.0
67.13203	1.3
69.03443	8.3
69.07056	4.6
71.04990	4.5
71.53520	1.7
74.97616	3.1
79.05489	9.0
81.03427	6.3
81.07056	26.7
83.00797	1.4
83.04979	3.3
83.08623	13.6
84.04499	1.8
85.02911	3.4
85.06536	4.6
88.02222	15.0
91.05492	11.7
93.07059	14.7
95.08617	16.7
98.97585	4.2
99.04465	2.0
101.96283	3.0
104.99261	7.6
105.07028	9.6
107.04374	1.4
107.08601	6.5
109.02888	2.6
109.04142	1.7
109.10160	90.9
110.96794	3.9
111.08089	5.1
115.00680	4.2
115.05490	1.4
116.00189	1.3
116.98685	1.9
117.07007	7.5
118.04649	3.7
119.08585	14.6
119.97328	19.3
121.04105	1.4
121.10174	2.4
122.05698	2.0
122.47578	2.2
123.04507	1.8
125.06153	3.6
127.03954	3.2
127.05118	2.4
127.05960	2.6
128.97855	22.0
128.98761	2.2
129.06996	2.1
131.05144	1.8
131.06192	18.4
131.08560	10.4
131.48120	12.9
133.01733	4.5
133.10156	1.9
134.06694	2.4
137.06204	1.8
137.09631	3.7
137.98355	9.2
139.05959	2.8
140.06706	30.3
140.48642	19.2
140.56889	2.6
141.07047	2.7
142.56973	2.3
142.98906	4.4
144.09322	2.1
145.06485	2.8
145.10123	12.9
146.06721	10.6
148.06471	6.3
149.07231	3.7
149.49202	7.3
151.03957	1.5
151.57518	9.4
151.99460	2.8
152.05864	2.0
152.07674	1.4
155.07243	19.6
155.10690	5.8
156.03609	1.3
157.06902	1.9
157.10168	2.2
157.57477	2.5
159.08052	3.6
159.11726	7.2
159.57272	2.2
164.07773	14.5
166.58058	3.7
169.05206	1.9
169.10164	2.9
173.08409	1.9
173.11746	19.8
175.58563	2.8
177.12709	2.2
187.03897	2.0
187.07603	4.9
187.09465	2.4
187.11150	14.2
187.12732	4.2
187.14813	15.6
187.22391	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51759	1.2
55.05508	14.6
56.96556	7.2
57.03429	3.4
57.07066	2.1
59.05011	6.5
67.05508	100.0
69.03421	2.9
69.07064	2.6
71.04977	4.7
71.54045	1.4
73.64977	1.3
79.05487	4.9
81.03417	3.6
81.07056	18.4
83.04982	1.4
83.08623	11.5
85.02897	1.7
85.06548	6.3
88.01789	1.4
88.02238	10.5
91.05486	10.7
91.47734	1.3
93.07029	5.0
95.08615	10.6
104.99254	5.7
105.07053	6.3
107.08591	2.5
109.10162	90.4
111.08080	3.1
114.05566	1.5
117.07027	6.8
119.08583	9.6
119.97315	4.1
123.11706	1.7
128.97829	4.7
129.06981	1.3
131.04904	1.5
131.08559	12.8
131.48134	4.3
133.10184	2.9
137.09610	4.4
140.48631	3.1
141.07008	2.8
143.08614	2.3
145.06522	3.0
145.10144	12.4
149.49074	1.6
155.10616	7.4
158.07202	1.4
159.06920	2.2
159.08012	2.7
159.11717	3.8
169.10104	2.6
173.11748	16.5
175.02809	2.3
187.11174	20.3
187.12718	2.9
187.14803	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74009	1.7
55.05523	10.4
56.96547	4.1
57.03422	4.7
57.07084	2.3
59.04999	6.5
67.05508	100.0
69.03426	9.0
69.07070	3.2
71.04998	4.3
79.05505	2.9
81.03410	5.6
81.03857	1.7
81.07056	14.9
83.08634	18.4
84.04517	2.2
84.08176	1.8
85.02908	3.5
85.06535	5.3
88.02219	19.7
91.05462	7.6
93.07034	4.6
95.04988	2.2
95.08598	11.0
98.70670	2.0
99.04449	3.2
104.99290	4.8
105.07035	2.8
107.08575	3.1
109.02906	3.7
109.10164	92.4
111.08099	2.0
113.00021	31.2
113.77949	1.7
115.45845	1.8
117.07006	4.2
119.08591	8.7
119.97301	3.3
127.03915	3.6
127.13164	2.3
128.97832	3.3
131.08578	6.9
135.89186	1.6
137.09616	5.6
139.39870	1.8
140.48631	2.3
143.08636	1.6
144.05617	1.9
145.10129	12.3
148.85638	2.0
155.10689	5.4
159.08104	3.3
159.11710	4.6
169.04904	2.4
172.08798	1.9
173.11748	22.4
180.96147	1.7
187.07588	5.2
187.11162	6.0
187.12660	5.8
187.14854	17.4
187.22495	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81123	0.8
53.03935	1.6
55.01850	1.1
55.05516	11.7
56.96569	17.2
57.03430	3.5
57.07084	1.9
59.05011	6.7
65.03930	1.8
67.05509	100.0
69.03432	5.0
69.07088	2.0
69.52049	6.6
71.05006	5.3
73.03265	1.0
79.05480	4.0
81.03448	4.6
81.07059	19.1
83.08622	11.9
83.72695	1.1
84.04482	1.4
84.08128	1.1
85.02897	2.2
85.06554	4.6
85.08488	1.2
88.02220	13.2
91.05495	7.8
93.07049	4.5
95.04942	2.1
95.08614	9.9
97.02866	1.3
99.04465	1.3
101.96238	1.7
104.99284	9.7
105.07027	2.9
107.08574	2.6
109.02890	1.3
109.10165	95.2
110.96808	2.9
111.08046	3.4
117.07009	3.4
119.08589	9.9
119.97330	11.9
127.03909	1.5
127.05896	2.0
128.04984	1.0
128.97847	14.8
129.07019	2.3
131.08542	6.8
131.48126	11.5
135.06563	1.2
137.09596	4.2
137.98332	8.5
140.48653	13.0
140.98788	1.0
142.98923	3.7
143.05405	1.0
144.09349	2.4
145.06589	2.4
145.10118	9.5
149.49153	4.3
149.99248	1.2
151.03835	1.2
151.99423	3.7
152.05986	1.2
155.10683	4.3
157.10121	1.4
159.08089	2.8
159.11687	5.3
160.99930	2.0
163.50221	1.2
164.13438	1.0
166.09120	1.5
169.05042	1.4
169.10101	2.8
172.08865	1.6
173.11751	17.9
187.03902	2.3
187.06142	1.4
187.07692	2.6
187.11208	12.8
187.12714	3.2
187.14833	9.8
187.22510	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
55.05514	11.2
56.96566	10.1
57.03439	2.9
57.07071	1.8
59.05000	5.7
65.03947	1.0
67.05507	100.0
69.03436	3.5
69.07068	2.9
69.48274	4.8
71.04992	5.3
73.02910	0.8
73.80988	0.6
79.05501	3.0
80.99358	0.7
81.03424	3.8
81.07060	15.8
83.08626	10.0
84.04508	1.6
84.08141	1.0
85.02892	2.3
85.06546	4.4
85.08450	0.7
88.02219	9.6
91.05487	6.9
93.07038	5.1
95.04977	0.9
95.08608	11.6
97.02888	1.0
97.21362	0.7
98.20742	1.0
99.04456	1.3
101.96223	1.0
104.99294	6.5
105.04816	0.7
105.07024	1.6
107.08572	2.5
109.02885	1.2
109.10159	99.4
110.10471	0.9
110.96828	1.9
111.08086	4.6
114.05521	0.7
117.06993	1.3
119.02505	0.8
119.08588	8.8
119.97327	12.6
122.47599	1.6
127.03912	1.5
127.05952	0.9
127.11169	1.0
128.97853	10.5
129.07036	0.8
129.47975	1.2
129.59244	0.7
131.08551	3.2
131.48106	5.5
137.09602	4.9
137.98361	5.6
140.48624	8.8
140.98833	0.8
141.06973	1.1
142.98932	2.6
143.08539	0.9
145.06487	1.8
145.10132	6.3
149.49171	3.4
151.99425	3.2
154.49734	1.5
155.10690	4.7
159.08064	2.3
159.11716	2.6
160.99921	0.8
166.09157	2.4
166.59224	0.7
169.04955	1.0
173.10254	1.4
173.11737	22.5
187.03902	1.3
187.07722	2.6
187.11162	7.5
187.12712	1.5
187.14818	6.1
187.22403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31805	1.3
53.03931	2.1
55.01888	1.6
55.05513	12.9
56.96574	1.5
57.03442	2.4
57.07066	1.9
59.04996	4.7
67.05507	100.0
69.03415	4.5
71.04984	6.0
71.24766	2.6
79.05475	1.8
81.03422	5.3
81.07055	17.0
83.08617	13.7
85.02927	1.8
85.06535	6.5
88.02215	21.2
91.05504	6.8
93.07045	3.2
95.08600	7.7
104.99261	2.9
105.07043	2.1
107.08656	1.6
109.10158	88.0
111.08051	1.8
117.07027	2.2
119.08590	6.8
127.03908	2.7
127.05842	2.7
127.13245	1.5
128.97868	3.4
131.08580	5.2
137.09598	3.6
140.48625	1.3
143.08398	1.6
145.06577	1.4
145.10144	10.5
155.10678	5.4
159.11673	3.0
169.05009	1.7
173.11742	20.2
187.03911	1.9
187.07704	2.0
187.11162	4.3
187.12672	5.7
187.14822	8.8
187.22566	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	187.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78285	0.4
55.05506	0.8
56.96557	0.8
58.06602	1.0
69.03417	1.0
69.07057	0.5
69.50283	2.2
69.50694	0.9
71.05002	0.5
81.03419	0.5
81.07063	0.7
83.08613	0.8
84.08121	0.6
84.99583	2.7
85.99930	1.3
88.02205	1.7
98.97569	1.2
100.02467	1.0
101.00904	3.9
102.00951	3.6
102.02227	0.4
103.00645	30.8
103.01279	1.7
104.00932	12.5
119.01929	10.1
120.02013	10.1
121.01675	100.0
122.01974	40.6
123.02074	1.0
126.02181	1.0
127.02552	1.5
133.01680	0.5
133.03459	1.1
135.03186	0.5
136.57974	0.5
137.02982	2.4
138.03091	2.6
139.02701	25.0
140.03035	12.9
142.03494	0.6
143.03648	2.0
144.03235	10.7
144.04996	0.5
145.01711	1.0
145.03604	21.6
146.03653	1.9
157.03490	1.0
159.03214	1.1
159.08090	0.8
161.02910	0.5
161.04716	0.5
162.04259	3.1
163.02733	10.5
163.04654	5.4
164.03078	11.3
164.04678	0.8
165.67262	0.4
168.05240	1.2
169.01773	0.8
169.03497	1.0
175.04590	1.1
181.03723	8.1
182.04126	14.0
183.04181	0.6
185.43658	0.4
187.02759	4.7
187.04567	3.0
187.07895	0.5
205.03830	1.0
205.05583	0.6
205.07355	0.6
205.09180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	CHEBI:138597
Peak:m/z	Relative Intensity
53.03948	2.4
55.01879	8.7
55.05514	100.0
57.03432	2.0
57.07071	1.6
57.77791	0.4
59.05003	3.4
60.95850	0.5
61.27546	0.4
67.05510	15.3
69.03433	6.8
69.07071	12.9
69.37112	3.2
73.06560	1.5
74.91483	0.3
76.88168	0.4
76.99543	0.4
79.05498	24.2
81.07063	17.0
83.04991	7.2
83.08624	41.9
84.08171	0.5
84.08935	0.4
85.02902	1.1
91.05486	4.6
93.07044	9.9
95.08620	1.2
97.06549	0.6
97.10175	77.8
98.10516	0.6
98.37794	0.4
101.06007	1.5
102.96877	5.5
105.07026	1.7
107.08600	25.1
109.06533	1.0
109.10162	0.6
111.04434	0.5
111.08094	3.1
115.11191	1.0
117.07041	3.7
120.97915	3.8
125.09639	36.2
126.05473	0.6
126.09946	0.5
128.06264	0.8
129.06996	1.8
129.77478	0.5
135.08063	5.8
136.58058	0.4
138.98944	1.8
143.08565	2.5
143.10721	0.5
143.99532	0.6
153.09061	0.8
156.09285	0.7
157.10216	1.0
162.00520	1.2
170.10989	0.7
185.09390	0.6
185.13269	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	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05042	0.9
60.08164	15.4
69.24614	1.4
69.25017	3.8
71.07378	7.8
74.47026	0.5
80.18312	0.5
86.09709	76.3
92.29224	0.5
98.20734	1.0
98.98468	10.5
101.95043	7.0
104.10756	2.4
105.86898	0.6
119.96062	1.3
125.00010	63.8
166.02670	0.6
166.08594	0.6
184.07350	100.0
185.07602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.23098	0.9
56.05038	1.5
56.96542	1.1
58.12209	0.9
60.08170	13.6
60.95837	1.6
67.73930	1.1
69.03423	1.9
70.03756	1.6
70.06624	1.4
70.59147	2.8
71.07375	7.4
71.23419	0.9
74.63658	0.9
79.05547	1.2
83.04988	1.1
86.09713	74.8
90.09759	0.9
93.07055	1.1
94.22055	0.8
98.20798	0.8
98.98479	12.0
101.94401	1.7
101.95040	22.7
102.96882	2.0
104.10770	2.3
119.01904	1.9
119.96076	9.7
119.98872	1.2
120.97942	1.1
124.07578	1.5
125.00016	60.2
130.01497	0.8
137.97128	6.1
137.99861	1.3
138.09161	1.6
139.88539	0.9
142.03476	1.0
142.97685	2.1
155.98206	1.0
156.10191	1.0
160.98695	2.9
161.04691	1.2
166.08618	1.6
178.99741	1.4
184.07359	100.0
184.09778	3.2
185.01920	1.1
185.13223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.19416	0.5
56.05042	1.2
58.06649	0.6
60.08167	17.2
71.05590	1.1
71.05939	1.1
71.07374	8.5
74.65569	0.6
86.09709	84.2
89.51464	0.6
98.97868	1.2
98.98473	12.9
101.95033	6.4
104.10750	3.8
104.11374	0.6
116.73605	0.5
119.96066	2.0
125.00010	66.0
138.09059	0.7
142.59627	0.6
166.08731	0.6
184.07349	100.0
185.07744	0.7
185.40269	0.6
199.73332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72857	0.3
63.52431	0.3
66.72803	0.4
70.04780	1.0
82.99847	7.5
83.00307	0.5
85.95821	0.3
87.98878	0.3
88.15938	0.3
101.00888	53.7
102.00970	1.4
111.00478	0.3
119.01928	100.0
120.02020	1.5
121.02342	0.5
124.02473	4.3
137.02965	14.3
142.03508	26.6
143.01917	1.0
143.03709	0.9
160.04590	3.8
161.02965	14.3
161.04350	0.7
179.04025	11.7
179.05615	0.6
180.04047	0.4
181.92149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38820	0.4
56.96569	1.2
57.03445	0.5
57.68442	0.4
64.42967	0.4
68.05033	1.8
70.74261	0.9
73.02924	1.0
78.08141	0.5
82.99844	6.9
85.02910	0.8
89.56133	0.4
91.91269	0.4
95.24422	0.4
97.02908	0.5
98.20824	0.5
98.97562	0.4
101.00889	55.2
102.00993	0.9
103.02329	0.5
106.02862	0.8
111.00434	0.7
117.03968	0.5
119.01929	100.0
120.02023	1.5
124.02460	5.2
126.09166	1.6
133.01649	1.3
133.03548	0.5
137.02968	16.0
142.03508	26.6
143.01910	2.0
143.03574	1.0
156.03230	0.8
160.04546	4.0
161.02968	16.1
161.04312	0.9
162.03145	0.5
165.39580	0.4
172.71004	0.4
178.06126	0.4
179.04008	15.0
184.04686	0.9
184.13339	0.4
194.47964	0.4
202.05597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03936	0.9
55.01882	0.7
55.05517	0.6
56.96563	1.9
57.03442	1.4
57.29657	0.5
60.31969	0.5
61.02935	1.5
64.48359	0.5
69.03419	1.9
69.88884	1.4
69.89277	0.9
71.04992	1.3
73.02917	1.2
81.03413	1.1
85.02927	2.6
85.25305	0.6
91.05486	28.5
92.05804	0.5
95.04967	11.5
97.02355	0.7
97.02898	4.9
98.97572	3.3
99.04435	0.9
99.13278	0.6
99.97900	0.8
100.02457	0.9
101.00877	1.8
103.05492	0.9
109.02882	1.0
109.06482	0.9
111.02903	0.7
113.00858	0.8
115.02420	1.7
116.98614	1.3
118.06533	1.5
119.01902	1.9
119.04949	35.7
121.06487	1.2
123.04436	45.2
125.06949	0.6
127.03940	0.8
129.03986	1.1
131.01875	1.7
132.03465	1.0
133.03476	3.6
134.03549	0.7
136.07584	100.0
137.07932	1.0
140.98610	0.7
141.04001	1.5
142.03506	1.2
143.01923	1.5
146.81422	0.5
147.04402	17.6
152.04941	0.8
158.99658	0.7
159.05101	3.5
161.03087	0.6
161.05559	5.6
161.55721	1.0
164.07092	0.7
165.05482	35.0
168.01376	0.9
170.06158	3.0
173.03008	0.7
175.04494	0.5
177.02507	1.5
177.06110	3.6
182.06657	1.0
182.08130	6.3
194.76555	0.6
195.07196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01882	0.7
55.05517	0.6
56.96563	1.9
57.03442	1.4
57.29657	0.5
60.31969	0.5
61.02935	1.5
64.48359	0.5
69.03419	1.9
69.88884	1.4
69.89277	0.9
71.04992	1.3
73.02917	1.2
81.03413	1.1
85.02927	2.6
85.25305	0.6
91.05486	28.5
92.05804	0.5
95.04967	11.5
97.02355	0.7
97.02898	4.9
98.97572	3.3
99.04435	0.9
99.13278	0.6
99.97900	0.8
100.02457	0.9
101.00877	1.8
103.05492	0.9
109.02882	1.0
109.06482	0.9
111.02903	0.7
113.00858	0.8
115.02420	1.7
116.98614	1.3
118.06533	1.5
119.01902	1.9
119.04949	35.7
121.06487	1.2
123.04436	45.2
125.06949	0.6
127.03940	0.8
129.03986	1.1
131.01875	1.7
132.03465	1.0
133.03476	3.6
134.03549	0.7
136.07584	100.0
137.07932	1.0
140.98610	0.7
141.04001	1.5
142.03506	1.2
143.01923	1.5
146.81422	0.5
147.04402	17.6
152.04941	0.8
158.99658	0.7
159.05101	3.5
161.03087	0.6
161.05559	5.6
161.55721	1.0
164.07092	0.7
165.05482	35.0
168.01376	0.9
170.06158	3.0
173.03008	0.7
175.04494	0.5
177.02507	1.5
177.06110	3.6
182.06657	1.0
182.08130	6.3
194.76555	0.6
195.07196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05506	3.5
57.07081	32.3
59.04999	2.6
61.64750	1.2
69.03456	1.2
69.07061	2.7
70.82211	2.9
79.05497	10.5
81.03432	6.5
81.07057	2.9
83.04990	55.6
93.07028	6.2
95.04985	17.5
97.06541	30.1
98.97599	15.8
105.07026	5.4
107.04951	2.9
107.08601	8.5
108.99184	1.4
111.04443	2.7
116.98622	8.4
117.06985	1.3
119.08578	3.2
121.06525	2.0
121.10151	9.8
125.06004	97.0
130.07793	2.9
134.99657	1.7
135.11731	3.9
145.10147	9.7
163.11197	100.0
181.12244	41.3
193.02567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78165	2.3
53.16412	1.9
55.01870	5.3
57.03427	9.0
61.02912	7.7
69.03414	3.0
70.06567	2.2
70.77601	5.8
71.04987	4.2
73.02912	15.1
81.03386	2.8
83.04973	2.9
85.02903	8.2
91.05493	26.1
95.04987	11.3
97.01427	3.1
97.02878	4.6
98.03999	3.7
101.00885	10.8
102.02422	3.1
108.04250	2.8
110.03959	3.5
115.02430	18.3
116.03928	2.5
117.04729	2.4
119.01911	7.0
119.04973	30.1
122.03963	4.9
122.14484	2.5
123.04441	40.7
125.04491	5.9
129.03911	4.0
131.04477	4.7
132.03409	3.1
133.03484	16.5
136.07585	100.0
141.03938	6.2
142.03464	3.2
143.01926	4.7
145.03395	2.5
147.04356	12.7
152.05006	3.5
153.03908	2.6
157.03453	4.5
159.05040	21.9
161.03085	2.4
161.05550	6.1
165.05484	29.0
171.05016	2.5
177.06088	17.7
182.05722	22.1
182.08086	10.7
182.11803	2.6
195.07207	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02382	0.7
53.03944	4.6
55.01872	6.9
55.05512	28.5
57.03430	3.6
57.07082	1.1
59.04992	1.4
65.03942	4.1
67.05503	100.0
69.03420	1.1
69.07064	16.0
69.07419	1.1
71.04987	2.2
71.14924	0.7
71.15248	0.9
73.06556	1.6
77.03938	0.8
79.05155	1.3
79.05490	67.5
81.03418	22.0
81.07053	92.9
82.07371	0.7
83.04978	37.8
83.08615	17.5
85.06554	3.1
91.05478	52.8
93.06586	0.6
93.07042	45.3
95.04971	11.8
95.08604	78.5
97.06526	35.9
97.10173	4.8
99.08105	2.8
105.04525	1.2
105.07027	25.9
107.08583	11.8
109.06528	6.9
109.10152	13.9
111.08078	8.2
113.09650	10.3
117.07030	1.5
119.08579	37.2
121.10139	7.4
123.04455	0.9
123.08074	3.8
131.08563	2.3
133.10123	21.1
135.11702	7.9
137.09627	2.6
137.10605	0.7
147.04456	1.5
159.11687	2.1
161.13252	22.4
173.59727	0.7
179.03424	1.6
179.06383	1.5
179.14307	75.8
180.14688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03943	2.2
55.01857	1.2
55.05516	5.5
56.96564	2.7
57.03439	6.9
57.07062	1.1
60.26640	1.0
67.05513	26.3
69.03433	1.9
69.07070	6.9
70.59238	1.8
70.59576	1.8
70.98109	1.7
71.04977	3.8
74.30714	1.0
77.03931	1.5
79.05499	18.3
81.07059	74.6
81.41628	1.1
83.04988	5.3
83.08627	2.6
85.06565	6.1
91.04916	1.2
91.05484	21.9
93.06486	2.2
93.07047	32.6
95.04971	2.1
95.08612	64.9
97.06532	11.6
99.08101	6.8
105.07037	29.2
107.08598	16.3
109.06507	3.9
109.10159	5.1
111.08089	4.7
117.06985	1.4
119.04914	1.9
119.08584	43.1
121.10154	12.0
123.08076	5.8
123.11724	1.0
131.08527	1.2
133.09146	1.5
133.10135	27.7
135.11697	28.4
137.09613	1.7
137.13243	2.3
147.04390	1.1
161.13263	85.2
162.13635	1.3
162.58073	1.1
163.03891	2.3
176.64299	1.0
177.09549	1.3
179.03383	2.2
179.14320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03917	0.5
56.96561	0.7
57.23199	0.5
70.34804	1.9
82.01454	1.9
82.99850	3.2
92.98630	0.5
98.97633	0.7
100.02483	2.9
100.97201	0.5
101.00883	44.5
102.00993	1.1
106.52140	2.0
115.00566	1.0
115.01256	1.1
115.02439	4.1
115.52640	2.8
118.03556	0.8
119.01926	100.0
120.02081	1.5
132.49731	0.5
133.01682	2.1
133.03464	11.6
133.13362	0.6
135.03134	1.1
137.02966	16.4
138.04016	1.4
142.03552	1.5
143.01936	2.0
144.03688	1.3
147.04395	0.8
150.07539	0.6
151.02704	0.5
151.04515	1.4
152.24002	0.5
155.54453	0.9
156.03276	1.3
156.05051	8.6
161.02966	34.5
162.03009	0.6
174.03133	0.7
174.06117	1.3
175.04506	0.6
179.04024	35.4
184.04652	0.7
195.08809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02372	1.5
53.03933	4.1
55.01863	3.8
55.05515	8.4
57.03435	1.4
57.07072	2.2
65.03923	2.1
67.05506	22.1
69.03432	5.6
69.07070	14.6
69.26520	10.2
71.04996	2.1
79.05495	74.9
81.07059	32.7
83.04964	5.0
83.08604	4.2
89.03890	2.7
91.05481	43.2
93.07046	84.9
95.04965	6.0
95.08599	14.8
95.10686	1.1
97.06524	8.4
98.21552	2.7
98.98474	5.2
103.05461	1.7
105.07027	21.7
106.04164	2.1
107.04967	7.5
107.08594	59.6
109.06557	5.6
109.10136	2.3
111.08080	1.7
117.03399	6.8
117.07024	21.8
119.08579	11.5
121.06503	6.8
121.10147	18.8
123.08028	1.5
131.08565	20.1
133.06580	1.4
133.10136	43.2
135.08057	12.2
135.11691	48.4
145.02843	12.9
147.04274	1.2
149.02312	2.6
149.05994	3.1
149.09612	3.3
149.13258	43.3
159.11693	21.0
177.05414	7.1
177.12752	100.0
177.16377	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	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03948	1.4
54.78719	0.7
55.05516	15.5
56.96562	2.3
57.07065	3.3
63.46233	0.6
65.03933	1.0
67.05510	9.5
69.03431	1.1
69.07076	30.0
69.47211	3.2
69.47640	2.7
77.27361	0.7
79.05499	21.6
79.05964	1.0
81.07062	28.5
83.08632	15.9
89.03918	6.0
91.04230	0.7
91.05489	9.2
93.07051	46.4
95.04981	0.9
95.08616	53.8
97.10157	5.3
98.97558	0.8
98.98458	3.8
103.05484	1.2
105.07021	5.0
107.04951	1.3
107.08604	63.2
109.10170	19.9
117.03387	8.8
117.07068	0.8
119.08620	2.1
121.06498	1.1
121.10155	70.4
122.10476	0.8
123.08080	0.8
123.11700	0.8
130.65685	0.6
131.05069	0.8
131.08566	2.3
133.10130	2.5
135.08040	1.2
135.11699	23.9
135.43207	0.7
145.02864	13.2
149.02348	2.0
149.06000	3.7
149.09682	1.1
149.13275	9.9
159.08269	1.4
159.11726	2.2
172.02930	0.7
177.05461	7.9
177.09200	1.8
177.13025	5.5
177.16403	100.0
178.16826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.17306	0.4
51.02363	0.4
53.03951	0.7
63.02370	0.8
67.05508	0.4
69.07076	0.6
69.81165	1.8
69.81564	0.7
78.04720	1.4
79.05511	0.6
81.03427	0.5
81.07043	0.5
89.03923	33.0
91.05496	3.3
93.07056	1.1
95.04970	0.7
95.08588	0.4
98.20776	0.5
98.97602	1.1
98.98502	0.9
103.05464	1.2
105.04550	0.4
105.07027	0.5
106.04175	2.9
107.08621	1.2
117.03388	64.7
118.03713	0.7
119.04976	0.4
120.08083	0.4
121.06503	0.7
121.10172	1.8
124.05235	0.6
131.01929	0.4
131.08533	0.5
134.03648	6.3
135.04448	2.6
135.08003	0.4
142.05798	0.4
145.02856	100.0
146.03186	1.3
149.04788	0.9
149.05995	17.9
158.06049	0.7
162.03070	0.8
163.03925	1.2
177.05484	32.6
177.12692	0.8
177.16432	0.6
186.05511	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19365	1.1
52.96615	1.0
53.03948	4.6
54.01203	1.1
55.01867	5.2
55.05518	8.4
56.96552	3.2
57.03439	2.6
57.07069	3.3
65.03932	1.4
65.89905	1.1
67.05181	1.7
67.05511	21.6
69.03416	4.1
69.07069	14.4
69.52586	8.5
71.05006	1.8
73.51974	1.0
74.49480	1.2
79.05501	67.4
80.05835	1.2
80.68444	1.1
81.03431	1.5
81.07061	35.7
83.04974	2.7
83.08615	3.2
89.03889	3.4
91.05492	40.9
93.07050	88.7
95.04981	9.8
95.08605	9.8
97.06531	7.4
98.98474	6.4
105.04514	1.8
105.07046	23.3
107.04955	6.2
107.08604	55.1
109.06511	5.2
109.10132	2.6
111.08077	2.4
115.05467	2.0
117.03408	8.1
117.07015	18.8
119.08596	9.9
121.06514	7.5
121.09327	1.7
121.10152	19.9
126.02538	1.0
129.07031	2.3
131.08582	17.3
133.10143	43.6
135.08080	13.4
135.10699	2.3
135.11705	44.5
144.09392	2.2
145.02872	10.9
149.02390	2.3
149.05969	2.1
149.09612	3.5
149.13266	39.9
159.08159	1.3
159.11710	23.5
177.05505	8.1
177.12759	100.0
177.16179	2.1
178.13148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.00315	0.7
53.03951	0.9
55.01868	1.0
55.05515	2.4
63.02398	1.3
65.03958	0.6
67.05504	2.0
67.13665	0.4
69.07082	3.6
69.25386	4.6
78.04720	1.9
79.05508	3.8
81.03409	0.7
81.07063	5.1
83.08630	2.8
85.02882	0.4
89.03923	35.3
90.76460	0.4
91.05484	6.0
92.25697	0.5
93.07059	9.1
95.04984	0.9
95.08616	9.6
97.10169	0.9
98.97569	2.3
98.98484	2.5
103.05483	2.2
104.41751	0.5
105.03410	0.5
105.07020	1.9
106.04179	4.0
107.04958	0.9
107.08602	12.1
109.06506	0.5
109.10166	2.8
116.98659	1.2
117.03387	67.4
117.07003	1.2
118.03687	0.7
119.08582	1.1
120.08876	0.4
121.06519	1.6
121.09357	0.7
121.10149	14.5
124.05190	0.6
129.07027	0.8
131.01871	0.4
131.04948	0.8
131.06888	1.6
131.08572	2.8
133.10147	0.9
134.03654	8.1
135.04446	4.5
135.08073	0.6
135.11705	4.2
141.07362	0.7
145.02855	100.0
146.03242	0.9
149.02380	1.3
149.05988	23.9
149.09666	0.5
149.13257	1.6
158.06010	0.6
159.06316	0.9
159.08087	0.6
159.11664	2.1
162.03157	3.0
163.03902	2.2
177.05482	37.6
177.07120	1.3
177.09108	2.1
177.12730	2.9
177.16443	12.2
186.05505	2.5
194.27231	0.5
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
53.03936	0.6
56.96542	0.4
63.02377	1.2
67.05534	0.4
69.03412	0.4
69.07063	0.7
69.73550	0.8
69.73956	1.9
72.20424	0.3
78.04710	2.1
78.07070	0.3
79.05482	0.9
81.07041	0.6
86.52592	0.4
89.03918	37.7
91.05483	3.8
93.07046	1.3
95.08618	0.7
98.97575	1.4
98.98469	0.8
103.05470	1.3
105.03402	0.6
105.07024	1.3
106.04198	3.0
107.08573	1.5
116.98586	0.8
117.03383	68.4
118.03769	0.5
119.08535	0.5
121.06512	1.0
121.10151	1.8
131.06918	0.6
131.08601	1.2
134.03638	7.5
135.04422	2.9
135.11734	0.5
145.02849	100.0
146.03188	1.3
149.05988	21.8
158.05977	0.5
159.11688	0.9
162.03154	1.5
163.03909	1.7
177.05476	34.1
177.09108	1.2
177.12737	1.8
177.16437	0.8
178.05898	0.5
181.41203	0.4
186.05557	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01867	5.5
55.05497	4.5
55.05735	1.0
55.24064	1.0
56.05032	3.5
56.96548	4.1
57.03439	5.6
60.05627	1.6
61.02921	3.1
65.03931	1.9
67.05509	20.1
68.05016	2.9
69.03426	5.5
70.06593	10.3
71.01337	4.7
71.04998	9.7
71.06903	1.9
71.52325	1.1
72.04521	1.2
73.02904	4.4
79.05495	7.3
80.05016	2.5
81.03436	6.1
84.04501	3.8
85.02908	6.4
85.06528	4.9
86.09706	1.4
88.07638	1.5
88.30030	1.1
89.03430	1.7
93.03373	2.2
94.06578	15.3
95.04380	1.7
95.04974	31.6
95.08591	1.1
96.04494	2.9
97.02898	44.2
98.06065	17.3
98.97588	13.4
99.00783	1.2
99.04448	3.8
100.02479	1.3
101.00880	3.1
102.00974	2.0
102.09158	1.2
106.02855	1.7
110.06030	3.6
111.04424	5.2
112.03973	15.7
112.07638	7.5
112.99140	1.6
113.05982	5.8
114.05525	5.9
114.09166	4.9
115.02436	3.0
115.04008	1.5
116.07129	5.2
116.97224	2.1
116.98610	4.4
119.01912	3.1
120.02012	4.3
121.01671	1.8
122.06035	11.9
123.04443	21.2
127.73290	1.1
130.08661	2.3
130.09718	1.5
130.12253	3.4
131.01878	1.5
132.10190	1.9
133.03456	4.8
134.03598	1.9
140.07071	100.0
141.05467	27.3
144.13892	2.0
147.05081	1.8
156.05467	1.1
158.08133	37.4
159.05159	2.1
159.06522	7.0
171.01295	1.8
176.04727	3.4
176.09184	62.7
176.12701	3.2
177.06145	1.4
189.03589	1.8
190.03757	1.4
191.03308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0919
Annotation	Calystegine B1
Peak:m/z	Relative Intensity
53.03932	2.4
53.64956	0.8
55.01877	5.1
55.05506	2.6
56.05033	2.1
60.04521	0.7
65.03933	2.0
67.05505	17.9
68.05019	1.5
69.03418	2.0
70.06588	5.2
71.01344	3.0
71.04984	4.6
71.52180	1.6
72.04539	1.0
73.02909	3.2
74.17244	0.9
76.35680	0.8
79.05502	8.9
80.04995	2.5
81.03424	8.9
83.04979	1.6
84.04496	2.6
84.08138	1.8
85.02895	2.2
85.06544	2.3
88.98139	0.8
93.03462	1.1
94.06570	15.9
95.04974	34.8
96.04485	2.6
97.02898	40.8
98.01264	1.0
98.06046	13.0
98.97588	1.0
99.00809	1.4
99.04461	2.9
105.03391	2.0
106.02910	1.1
110.06029	2.5
111.04456	5.3
111.06813	1.3
112.03968	15.8
112.07599	9.8
112.99111	1.1
113.06026	7.1
114.05534	5.4
115.03985	0.9
116.07093	5.0
122.06042	12.3
123.04440	22.7
129.31461	0.8
130.09782	2.0
133.03343	1.0
140.07072	100.0
141.04402	1.7
141.05472	27.0
141.07318	1.1
147.04878	1.1
147.25397	0.8
156.05414	1.8
158.08141	33.2
158.09445	1.8
159.06555	10.2
174.27750	1.0
176.09181	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.94937	0.6
53.03950	0.8
55.05516	3.2
67.05492	1.8
69.06737	0.7
69.07075	9.9
79.05490	1.9
81.07059	5.4
83.08624	1.6
87.04510	0.7
91.05482	6.8
93.07043	2.8
95.08591	3.4
97.02876	0.7
98.98481	6.6
105.07034	16.6
107.08606	3.3
112.45938	0.6
115.03879	0.7
117.07018	3.4
119.08587	49.6
121.10136	1.0
124.84260	0.6
129.06982	1.6
131.08583	4.0
133.10132	51.7
137.71623	0.6
142.07773	1.6
144.09352	1.2
145.10121	8.2
147.11688	21.5
157.10124	1.5
159.11736	3.9
160.12465	7.3
161.13210	0.8
170.23578	0.6
173.13232	0.7
175.07556	0.9
175.11400	1.9
175.14828	100.0
176.15182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01877	5.0
55.05499	3.1
56.05029	3.8
56.96550	2.5
57.03421	1.9
60.04510	1.0
60.05643	1.5
61.02910	1.6
65.03934	1.3
66.66305	0.8
67.05507	18.0
68.05007	2.3
69.03413	3.6
69.84225	3.7
70.06593	7.4
71.01336	3.5
71.04987	7.4
71.06913	3.3
73.02901	3.0
74.06085	1.6
79.05490	5.8
80.05013	2.2
81.03419	7.5
82.06584	1.2
83.04966	2.9
84.04487	2.8
84.08121	3.4
85.02888	2.4
85.06562	1.1
87.04459	1.0
88.07616	1.0
93.03394	2.5
94.06573	16.5
95.04969	31.7
95.08611	1.2
96.04478	2.6
97.02348	3.4
97.02891	38.8
98.03964	1.7
98.06065	15.4
98.97588	16.2
99.00794	1.0
99.04452	2.8
101.00864	0.9
105.03356	1.0
106.02864	4.5
107.04530	0.9
110.06035	2.3
111.04437	4.5
112.03254	0.9
112.03973	15.7
112.07598	7.8
112.58286	0.7
112.99102	1.9
113.05995	5.5
114.05526	5.3
115.02536	0.9
115.03342	2.3
115.04000	1.3
116.07096	5.2
116.97246	2.2
116.98608	7.6
117.07440	1.1
118.02798	1.8
120.02055	1.1
120.08084	3.2
120.08838	0.9
122.06023	10.6
123.04436	19.2
127.03320	2.5
129.10303	0.8
130.06552	1.0
130.08606	2.2
130.09755	2.6
130.12288	10.8
131.01883	2.1
132.04405	1.0
132.84077	0.7
133.03465	1.5
134.03531	0.9
134.99641	1.3
140.07068	100.0
141.05475	24.8
141.07306	1.4
145.01596	0.9
147.04900	1.9
156.05449	4.4
158.08125	35.3
159.05241	1.4
159.06532	8.5
176.04747	1.7
176.09171	58.5
193.03769	1.0
195.07323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.62646	0.5
53.03954	0.5
53.51056	0.6
53.86232	0.5
55.05511	6.1
57.07064	0.7
57.55861	0.6
61.93620	0.5
67.05505	1.3
67.68301	0.5
68.32952	0.5
69.07074	18.8
69.52404	0.5
70.70481	0.5
70.70822	1.1
77.34243	0.5
79.05512	1.0
81.07069	3.8
83.08624	3.5
86.78166	0.5
90.13636	0.5
91.05489	6.2
93.07061	2.5
95.08609	3.9
98.98446	0.5
105.07039	18.6
107.08605	3.7
117.07025	2.2
119.08589	71.5
121.10152	2.0
131.08577	2.3
133.10139	58.0
134.10469	1.1
135.11734	0.6
145.10120	5.3
147.11699	7.8
159.11699	1.0
160.12491	2.3
165.91209	0.6
173.13268	2.0
175.14836	100.0
176.15144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05514	5.7
57.07073	1.8
59.99816	0.8
67.05500	1.7
69.07076	19.2
70.64598	1.5
70.64943	1.0
79.05492	2.1
80.79860	0.7
81.07053	3.5
83.08616	4.3
83.60522	0.7
91.05484	6.0
93.07046	2.4
95.08607	4.1
98.98457	1.3
105.07035	20.9
107.08622	4.3
117.06998	1.4
119.08590	70.5
119.69010	0.7
121.10159	2.5
131.08565	1.9
133.10144	60.9
142.41992	0.8
145.10167	4.7
147.11691	10.0
160.12500	2.6
173.13283	2.4
175.07578	1.0
175.14838	100.0
176.15201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.73024	0.6
55.05514	6.6
67.05509	1.7
69.07074	20.2
70.81540	1.7
79.05489	2.4
81.07078	3.6
83.08615	4.2
84.65833	0.7
91.05492	6.8
92.00052	0.7
93.07063	2.3
95.04960	0.8
95.08596	5.1
104.45776	0.8
104.57156	0.9
105.07043	19.5
105.82980	0.7
107.08572	4.3
117.07047	1.8
119.08589	75.7
120.08861	0.7
121.10176	2.7
131.08566	1.7
133.10139	66.9
134.76323	0.7
145.10161	5.6
147.11679	8.0
148.39552	0.7
157.61563	0.7
160.12506	2.5
173.13284	2.6
175.14838	100.0
176.15173	1.1
192.06406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05511	8.3
57.07068	1.5
60.60316	0.5
64.74506	0.6
65.45786	0.6
67.05504	2.3
69.07072	16.1
70.97083	1.0
70.97428	0.9
74.43941	0.6
74.60646	0.6
75.44086	0.5
75.84079	0.6
79.05493	3.6
81.07056	12.6
83.08613	4.0
85.02956	0.8
88.55772	0.6
91.05479	11.9
93.07037	5.6
95.04989	0.6
95.08608	10.2
98.98459	3.4
103.05444	1.4
105.07030	42.1
106.07415	0.8
107.08593	8.5
115.05495	0.7
117.07016	2.6
119.08582	79.0
121.10164	1.7
128.06126	0.7
129.06952	1.0
131.08583	6.5
133.10133	52.2
140.07054	0.9
145.10109	4.1
146.10895	3.2
147.11696	14.8
157.10126	0.8
160.05222	0.9
160.12486	1.7
173.13255	2.9
175.07619	1.9
175.11322	2.2
175.14828	100.0
176.07018	0.6
176.15196	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.7
57.07064	0.6
63.50432	0.6
66.55883	0.6
67.05488	2.8
68.48793	0.5
69.07070	16.4
70.92188	1.7
79.05495	2.8
81.07059	8.4
83.08627	3.9
85.89458	0.6
91.05477	9.4
93.07047	4.5
95.08614	6.5
98.98463	1.3
105.07034	29.3
107.08586	4.6
115.05450	1.5
117.07006	2.5
119.08584	70.5
121.10109	2.3
131.08559	4.5
133.10133	57.6
135.11700	0.8
135.45705	0.6
143.04884	0.7
145.10130	5.1
146.10909	1.8
147.11684	11.2
157.10104	0.8
160.05190	2.1
160.12471	2.4
173.13205	1.6
175.07562	3.4
175.14825	100.0
176.15193	1.2
189.17937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03951	1.6
55.01876	1.9
55.05518	8.1
56.96339	0.8
56.96572	9.1
57.03442	76.7
60.05627	1.6
63.95116	1.0
67.05516	5.2
67.26379	1.1
69.03422	2.7
69.06735	1.1
69.07078	10.9
70.06592	2.3
70.98109	3.3
71.53529	1.3
79.00999	1.1
79.05054	1.0
79.05485	3.8
81.03426	1.5
81.07055	8.0
83.04999	2.4
83.08604	2.8
85.02898	2.0
87.04475	1.5
88.00322	1.1
88.02219	1.4
88.99149	2.0
89.22311	0.9
89.99791	0.9
91.05487	23.2
92.90069	1.7
93.07068	6.5
95.04978	3.3
95.08602	6.6
97.02888	7.3
97.10181	1.6
98.03690	2.1
98.98475	37.4
103.05479	1.3
105.07041	29.1
107.08611	5.2
109.10151	3.6
111.04424	2.9
115.03932	2.3
115.05460	2.4
117.07033	5.7
119.08593	100.0
121.10146	2.1
125.02435	1.4
127.03951	2.9
129.07010	5.9
130.06566	1.9
131.05412	2.9
131.08588	6.9
133.06509	2.6
133.10139	43.5
136.01567	1.0
139.03926	1.6
140.05911	1.7
140.06985	1.2
142.07762	3.9
143.05391	1.3
145.06416	1.4
145.10165	3.4
146.07231	2.5
147.04401	3.8
147.08035	7.2
147.11710	13.9
151.93765	2.5
157.10143	5.8
160.05199	1.8
160.08815	2.0
160.12488	2.3
173.11691	1.1
173.13232	1.6
175.03857	1.8
175.06165	1.6
175.07475	6.3
175.11200	43.0
175.14835	60.9
176.07057	2.2
176.09206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.3
56.43207	0.5
64.13271	0.5
67.05506	1.8
67.87566	0.5
69.07073	20.6
69.55137	2.9
70.06567	0.6
79.05531	2.3
81.07058	5.1
83.08613	4.4
91.05487	7.9
93.07038	2.3
95.08618	4.9
96.52532	0.4
97.02885	0.8
98.20795	1.1
98.97627	0.6
98.98475	2.3
103.05470	0.5
104.06187	0.5
105.07037	21.5
107.08588	3.8
111.04487	0.5
115.05476	0.8
117.07025	2.6
118.07766	0.5
119.08587	80.6
120.08887	0.5
121.10157	2.7
129.06985	0.5
131.08540	2.6
133.10138	60.8
135.11765	0.7
140.07083	0.6
145.10132	4.8
146.10930	0.9
147.04430	1.3
147.11696	9.7
159.11665	0.7
160.12498	3.0
160.33347	0.5
173.13261	2.1
175.06145	0.8
175.14833	100.0
176.15126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01860	7.0
55.05499	7.5
56.96308	3.1
56.96568	53.3
57.03428	5.6
57.07073	3.5
67.05508	9.0
69.03413	5.6
69.07076	9.8
69.68372	4.9
69.68789	7.0
70.06579	4.1
70.98104	3.4
74.93153	2.5
79.05494	13.1
81.07058	13.4
83.04976	6.8
83.08607	3.3
84.96024	2.2
85.02888	6.4
87.04415	2.4
90.01567	3.1
91.05490	100.0
92.90064	2.3
93.07047	8.4
94.01791	2.9
95.04948	6.7
95.08584	4.4
97.02337	3.8
97.02894	13.0
97.06520	4.8
97.10146	4.8
97.99152	2.0
98.03671	3.1
98.06052	4.8
98.98474	74.4
105.07030	30.8
107.04929	5.6
107.08603	5.0
111.04488	3.8
115.03999	5.4
115.05412	4.0
116.99479	2.5
117.06995	3.7
119.04986	3.0
119.08582	36.0
120.05119	2.3
125.02362	3.8
127.03960	4.7
129.05656	7.6
129.07007	20.1
130.06561	2.0
131.08588	24.5
133.06480	2.1
133.10129	33.1
133.92943	2.1
134.04900	12.5
138.06190	2.2
139.03932	2.8
140.01057	2.0
140.07069	6.4
141.05519	2.2
142.07764	8.3
142.51382	1.8
143.00197	2.5
143.05420	15.0
145.10107	4.3
145.55681	4.1
147.04408	3.9
147.07974	4.0
147.11679	12.6
151.00630	1.8
151.93939	2.6
152.05952	20.4
154.56165	3.6
157.04222	2.4
157.10127	26.1
158.08127	4.1
160.05252	2.7
161.01317	2.2
161.06432	2.8
163.56764	6.5
175.06071	3.9
175.07599	8.3
175.11186	73.1
175.13354	3.0
175.14830	30.1
176.07079	3.1
176.09184	6.8
179.03795	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	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.57093	0.5
53.03947	1.4
54.03879	0.5
55.01877	6.2
55.05513	7.3
56.96566	13.3
57.03429	1.9
57.07066	0.6
59.04987	0.7
65.03926	1.3
67.05505	12.4
68.18663	0.6
69.03432	1.9
69.07072	13.4
69.81409	2.2
70.06603	0.7
71.05003	1.3
77.03919	0.6
79.05496	14.7
81.03423	3.9
81.07057	14.5
82.01469	0.5
83.04980	2.7
83.08619	4.0
84.27609	0.5
85.01236	0.5
85.02876	1.3
87.04472	1.2
88.02237	0.5
91.05482	83.0
92.05818	0.6
93.07048	8.4
94.01794	2.9
95.04971	5.7
95.08626	5.8
97.02891	3.4
97.06529	2.4
97.99162	0.6
98.03708	1.0
98.98470	19.0
103.02335	3.4
103.05457	1.5
105.03401	0.9
105.07034	40.8
106.54288	0.7
107.04301	0.8
107.04967	8.8
107.08597	4.2
109.06516	1.9
111.04423	1.7
113.02563	1.3
115.03987	1.3
115.05447	5.2
116.06260	1.4
117.07021	5.1
119.04922	1.6
119.08584	63.7
121.04090	0.7
121.06500	2.4
121.10144	1.0
122.03088	2.2
125.02334	1.3
125.04399	1.1
127.00684	0.6
127.03903	1.0
128.04829	0.6
128.06267	3.2
129.07008	28.3
130.06523	1.2
131.08571	26.4
132.05814	0.8
133.06509	7.1
133.10133	49.0
133.56918	0.7
134.04893	8.4
134.10939	0.9
139.00623	0.7
139.03983	1.2
140.07083	1.5
141.06989	0.8
142.07782	8.3
142.57428	2.0
143.05434	23.8
143.55595	1.6
145.10103	4.7
145.55728	2.2
146.07275	1.0
147.04413	1.2
147.08028	5.9
147.11696	20.3
151.93837	0.7
152.05939	8.3
152.56107	0.9
154.56194	3.7
157.01707	2.1
157.10133	34.5
158.08189	1.2
160.05238	1.9
160.08858	1.5
160.12500	2.1
163.56732	1.3
165.83226	0.5
169.88968	0.6
173.13255	0.8
175.02774	1.8
175.03940	1.6
175.06055	1.4
175.07678	5.3
175.11192	100.0
175.14809	51.8
176.09212	1.8
176.11485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03937	1.2
55.01893	1.2
55.05501	3.6
55.53098	1.0
56.96569	1.5
57.03160	1.6
57.03439	27.2
59.58692	1.0
61.46450	0.8
65.03933	1.4
67.05503	10.6
69.03428	2.2
69.07067	2.7
70.06571	1.0
70.59953	1.3
70.60287	2.1
72.00943	0.9
79.05495	6.2
81.03445	1.3
81.07053	3.7
85.02921	1.1
91.05488	17.5
93.07049	3.5
95.04963	13.6
98.98460	5.3
103.05488	1.4
105.06326	1.4
105.07034	29.5
107.04957	7.1
107.08576	1.5
115.05441	2.0
116.06335	1.0
117.07030	6.2
119.08584	49.8
121.06503	2.6
128.06215	2.1
129.07016	8.3
131.04875	2.3
131.08572	3.6
132.05722	2.1
133.06506	27.3
133.10141	11.2
133.30980	0.9
135.08121	1.1
140.86635	1.0
142.07784	9.4
145.06546	5.6
145.10126	2.9
146.07266	25.8
146.08441	1.3
147.08055	57.6
147.11690	15.5
155.84125	1.0
157.07602	2.2
157.10127	11.6
160.08862	5.8
174.65430	0.9
175.11197	100.0
175.14697	7.9
176.11470	1.2
194.58026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45471	0.7
53.03938	1.9
53.47232	0.7
55.01866	6.4
55.05501	4.4
56.96566	5.1
57.03442	5.9
59.04985	0.9
60.58916	0.9
65.03936	1.4
67.05508	10.3
69.03417	2.8
69.06714	1.3
69.07069	10.1
69.30602	7.4
70.98125	1.8
79.05068	1.2
79.05496	14.4
81.03434	4.5
81.07059	15.1
83.04979	1.7
83.08624	1.8
85.02907	1.8
91.05486	69.2
92.90073	1.1
93.07044	9.2
95.04963	7.0
95.08595	2.9
97.02892	3.7
97.06537	1.9
98.03686	1.0
98.06079	1.2
98.98466	19.9
103.05446	1.7
105.07038	37.8
107.04942	6.7
107.08614	3.8
109.06525	1.7
109.10161	2.4
111.04447	1.2
115.03921	1.4
115.05428	4.6
116.06244	2.1
116.07059	0.9
117.07033	4.6
119.04947	3.0
119.08588	48.3
121.06509	2.0
121.10171	1.8
122.06725	1.8
125.02376	0.9
126.56222	0.9
127.03921	1.7
128.06230	3.4
128.97787	0.9
129.07011	34.0
130.06569	1.5
131.05444	1.0
131.07208	1.8
131.07388	1.4
131.08569	36.0
132.91801	0.8
133.06485	11.2
133.10133	33.3
134.04878	1.0
134.07326	1.0
140.06035	0.9
140.07095	2.8
141.05457	1.0
141.06975	1.2
142.07777	12.3
142.58076	1.2
143.05418	2.2
145.10121	5.2
147.04387	1.4
147.08083	3.9
147.11690	14.7
151.93947	1.8
157.10132	41.2
158.08180	1.1
160.05235	0.9
160.12538	0.8
175.03896	1.4
175.07762	4.3
175.11191	100.0
175.14799	31.6
176.07088	1.1
176.09201	1.8
176.11502	1.4
191.77527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41553	9.5
60.05638	34.3
69.87992	41.0
70.06605	100.0
72.08141	18.6
73.32189	10.9
84.08146	14.3
95.04982	16.5
97.02904	17.1
98.06062	10.7
101.00867	10.8
101.74290	9.7
112.03957	15.6
112.27934	9.4
116.07090	31.2
123.04449	12.7
128.66177	9.6
130.09735	13.0
140.07111	55.8
158.08125	20.8
175.11948	21.2
176.09198	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	175.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78735	2.1
53.03945	5.1
55.01865	9.1
55.05507	16.8
56.96298	3.8
56.96564	49.1
57.03445	13.1
59.60299	2.2
60.05648	5.1
61.02925	4.8
62.09019	2.3
62.46835	2.2
65.03933	5.8
67.05505	12.0
68.05046	2.4
68.05822	2.5
69.03437	31.5
69.07066	18.7
70.06596	17.4
70.98126	32.3
71.01357	2.4
71.04965	5.5
71.53126	2.5
72.04525	18.4
72.08154	8.0
73.02917	14.5
73.06543	8.6
79.05494	7.0
81.03413	11.5
81.07069	17.2
83.04965	10.6
83.08614	7.8
85.02901	26.7
87.04454	7.6
88.99161	8.8
90.94836	2.4
91.05485	44.7
93.07040	9.7
95.04971	7.7
95.08628	13.2
97.02899	48.0
97.06551	2.9
98.03687	6.5
98.06071	4.0
98.97595	11.2
98.98471	100.0
101.00884	3.9
101.06032	2.4
103.04155	7.8
103.05468	4.4
105.00361	2.6
105.03394	2.5
105.07037	37.9
107.07909	2.6
107.08593	9.0
109.02900	6.4
110.97555	2.6
111.04443	9.2
112.04665	38.9
112.99135	5.1
113.00910	2.6
115.00689	7.6
115.03904	5.2
115.05441	8.9
116.07076	5.7
116.98627	5.3
117.07001	6.5
119.01942	13.8
119.04948	28.7
119.08591	77.8
121.05182	3.0
123.04433	3.3
124.04659	4.8
125.02352	8.9
127.02509	2.5
127.03920	15.4
129.05507	5.4
129.07008	10.2
130.06551	17.5
131.00171	4.7
131.01913	11.0
131.08572	11.0
132.04457	7.0
132.95869	5.2
133.01804	5.9
133.05177	3.8
133.06464	5.5
133.08549	2.7
133.10133	62.7
137.05415	7.8
139.03932	4.4
139.05186	3.1
140.07083	12.0
141.05527	4.2
142.07785	5.7
145.03473	14.3
145.06363	2.5
146.05972	5.3
146.07115	3.4
147.03294	12.8
147.04401	66.7
147.06281	4.2
147.08058	6.1
147.11682	14.6
149.01227	5.3
150.96881	3.2
151.93730	5.7
151.97141	2.3
157.03401	4.3
157.06433	5.2
157.07602	5.0
157.10149	5.1
158.06012	12.2
158.08128	6.0
160.05186	18.0
163.04483	3.5
165.04355	13.0
173.03011	2.9
175.04097	8.2
175.06148	36.0
175.07579	30.0
175.08733	3.2
175.11137	24.7
175.13339	3.7
175.14833	89.0
175.91814	2.7
176.07112	4.7
176.09193	11.2
184.06746	13.8
185.02856	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.06086	0.2
55.01873	0.3
55.05519	2.4
56.96563	1.1
57.03421	0.3
57.07077	0.7
59.05001	0.4
62.86876	0.2
67.05510	2.4
69.07066	0.3
70.56346	0.2
71.04997	0.2
71.54810	0.4
72.93803	1.2
74.46841	0.2
76.02220	0.3
77.03931	0.3
79.05501	1.2
81.03416	0.3
81.07056	2.6
83.04980	2.5
83.08647	0.3
85.02949	0.2
87.04459	0.4
88.07629	0.7
89.02402	0.5
89.07977	0.3
90.90388	1.6
90.94823	1.4
91.05481	7.3
93.07047	0.9
95.08588	0.5
95.17362	0.2
97.18745	0.3
98.01300	0.4
98.97610	0.6
99.08133	0.2
100.02417	0.3
101.06020	2.1
102.09175	0.6
103.03310	0.4
103.05450	0.3
103.09513	0.3
105.07037	8.4
107.08577	0.3
109.10143	0.7
109.76850	0.2
111.04449	3.8
113.06009	0.5
115.05441	1.5
116.06241	1.6
117.07029	5.1
118.06567	0.7
119.08588	8.9
120.02663	0.3
121.46937	0.2
127.07522	0.4
128.03345	0.2
128.06203	1.1
128.07068	0.3
129.03107	0.4
129.05487	1.0
129.07002	6.9
130.06607	0.5
130.07793	2.8
131.08571	64.6
131.92982	0.7
132.08919	0.4
133.10117	1.8
141.06926	0.3
142.07736	1.2
143.08559	17.6
144.09355	5.4
145.06546	0.5
145.07726	1.3
145.10129	21.9
146.06058	0.3
149.94073	1.2
149.96024	0.3
150.03745	0.3
150.06195	0.3
155.03430	0.3
155.05927	0.4
155.07045	2.3
155.08533	1.1
156.09377	0.8
157.10156	1.0
158.07359	1.3
158.10918	28.8
159.11618	1.0
167.25906	0.2
167.97183	0.4
171.11723	2.0
173.02348	0.7
173.08200	3.6
173.09645	5.3
173.13266	100.0
173.17265	3.7
174.13826	1.3
177.43237	0.2
184.26639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63387	1.6
53.51313	1.4
55.01856	1.5
55.05513	6.3
56.05843	2.6
56.96300	2.5
56.96569	34.4
57.03432	5.2
57.07069	1.5
61.02918	4.4
67.05506	7.3
69.03443	3.1
69.07068	2.4
70.06583	4.3
70.98119	2.9
71.39394	2.6
72.04514	3.5
73.02906	8.7
81.01042	2.2
81.03433	2.9
81.07051	4.4
83.00793	1.8
83.04987	2.1
83.08617	1.8
83.10006	1.4
84.04524	1.8
84.08141	3.6
84.08954	2.4
85.02899	6.5
88.07631	3.3
89.00790	4.2
89.29740	1.6
89.90697	1.7
90.01553	1.9
95.00776	1.5
96.01566	6.8
97.02895	2.7
97.99185	3.0
98.01320	3.4
98.06045	3.5
98.50597	1.6
98.97592	22.0
101.00776	10.6
101.05993	1.8
104.01299	2.4
106.51578	1.8
107.01756	1.5
107.04986	1.6
107.51150	3.9
109.10191	4.3
110.01285	19.9
110.97559	3.2
111.04466	2.5
112.07623	5.2
115.00475	5.4
116.00232	2.2
116.48148	3.2
116.51645	1.5
116.98629	6.2
118.50288	3.0
119.01812	26.6
119.99718	6.7
121.00508	4.2
121.52088	5.7
122.51656	2.9
123.49603	2.6
126.05511	2.3
126.09159	21.6
127.50858	7.6
128.01385	2.8
128.02315	21.2
128.51585	1.9
128.98615	3.5
129.00221	13.3
130.52568	13.2
131.08537	1.9
132.50075	2.8
133.99475	3.4
134.99684	1.9
136.51399	10.6
137.02846	6.3
138.00731	4.9
139.01689	2.4
139.53123	16.2
140.00252	3.4
141.50618	38.9
142.00893	2.8
142.03342	2.0
142.99983	19.3
148.53651	5.1
149.01791	5.1
149.07205	1.7
150.51146	100.0
151.01303	4.5
151.03914	2.9
152.00520	4.3
153.01453	8.8
154.08606	2.8
154.50725	1.7
158.01234	3.0
158.02350	19.2
158.10980	1.6
158.99695	2.5
159.51675	11.4
160.52652	2.4
162.01956	21.4
162.03151	3.3
162.52116	3.0
163.03963	2.3
164.90463	1.4
167.02853	11.2
169.53136	4.6
171.02466	2.2
172.07516	3.2
172.09726	8.5
172.11104	3.3
172.13364	2.3
172.15387	3.4
172.16988	12.0
173.08261	1.9
173.11853	2.0
173.13280	3.3
173.52763	2.4
189.00670	2.3
190.02614	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	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03949	1.7
53.69651	0.8
55.01870	10.4
55.05511	18.1
56.96568	7.2
57.03438	55.0
57.07072	3.8
65.01959	0.9
65.03921	1.4
67.05505	40.0
68.99776	0.9
69.03429	2.1
69.07071	37.0
69.57507	2.0
69.57917	3.5
71.01349	0.8
71.05000	8.6
72.04519	13.0
72.08162	1.7
73.02917	2.8
73.06565	1.7
79.05502	5.1
81.03410	1.0
81.07066	14.4
83.04987	8.1
83.08618	26.6
83.10890	0.9
85.02910	1.9
85.06546	4.1
85.96281	0.8
88.06310	0.8
88.95302	1.0
89.07155	11.4
91.05466	1.3
93.07047	8.6
95.04989	1.5
95.08614	4.9
97.06532	8.9
98.21612	0.9
98.97583	2.6
99.08092	1.4
107.08595	8.3
109.10159	100.0
110.04000	1.5
110.10509	1.8
110.97634	1.5
111.04453	3.9
111.08089	13.9
115.05475	1.1
116.04930	1.0
119.01804	2.5
125.05968	2.1
125.09628	3.7
125.52337	2.1
126.53168	1.3
127.11197	30.9
128.02322	2.5
128.06198	2.3
128.98582	1.8
132.04463	4.1
134.52843	5.0
135.11700	3.8
137.02945	1.1
139.03841	1.5
139.52072	1.6
141.07065	1.2
143.06018	4.0
143.08569	3.9
148.52576	4.6
153.05455	1.3
153.09117	1.5
153.12727	6.7
156.09346	5.8
157.53090	1.9
171.05499	13.9
171.07967	1.8
171.10144	1.9
171.11620	6.0
171.13818	1.5
171.14992	11.7
184.73247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48893	0.4
54.06860	0.3
55.05500	1.1
55.93512	0.9
56.96570	4.8
57.03426	0.3
65.03941	0.4
67.05502	0.4
69.03418	0.5
69.07058	0.3
69.21145	3.0
70.06591	1.1
71.04983	0.3
72.04527	0.6
73.02901	0.3
77.83788	0.3
79.05492	1.3
80.05031	0.4
81.03416	0.4
81.07056	1.2
82.06588	0.5
83.04976	0.6
83.08604	0.4
84.04514	0.7
84.08125	0.4
84.96027	0.4
85.02920	0.6
86.06068	0.4
87.51297	0.4
88.96919	0.5
92.05004	0.6
93.05795	0.9
93.07055	0.6
94.03753	0.3
94.06564	0.3
95.04957	0.4
96.04486	0.7
96.08158	1.6
97.06542	0.6
97.99203	0.6
98.06067	0.4
98.97588	1.3
100.07638	0.4
106.06572	1.0
109.06588	0.5
110.03258	0.4
110.06075	1.9
110.97566	1.2
111.04488	0.4
112.07628	0.8
114.05536	0.4
114.09137	0.7
115.05470	31.5
116.04990	0.4
121.06496	0.7
123.95948	0.8
124.04754	0.4
124.07620	5.7
124.54799	0.4
125.05927	0.6
125.57330	0.3
128.07097	1.4
128.95107	3.1
128.98636	1.9
132.96429	1.0
134.05980	0.6
140.04961	0.5
141.96980	1.0
142.06546	23.7
142.08598	3.4
146.96193	1.9
146.97269	0.5
146.99644	0.9
147.05051	0.4
152.07071	3.2
160.07542	0.8
161.29865	0.3
170.06029	100.0
170.08121	6.1
170.09691	3.7
170.11774	1.4
171.05351	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	169.1225
Annotation	1,2-Campholide
Peak:m/z	Relative Intensity
50.05171	1.3
52.40989	1.3
55.01857	3.1
55.05492	6.2
56.96558	3.3
57.07078	8.4
59.04995	2.5
65.03936	3.0
67.05510	15.1
69.07066	4.8
69.29922	8.6
69.30342	4.2
71.04982	5.4
72.08186	2.1
75.05811	2.3
79.05498	2.7
81.03413	2.4
81.07056	9.2
83.04967	1.8
83.08621	6.1
85.06540	4.0
87.63437	1.5
88.55579	1.6
93.03368	1.9
93.07051	8.0
95.04958	2.1
95.08595	5.0
96.08117	4.5
99.04457	1.6
105.07024	2.8
107.08601	3.8
109.02878	5.5
109.06499	3.7
109.10164	71.2
111.00789	3.5
111.04475	3.2
111.08089	100.0
123.04392	2.0
123.08103	3.0
123.11711	3.0
124.04643	3.6
125.09711	1.6
126.03101	3.7
127.11199	98.1
133.10129	3.1
141.05457	10.9
151.03917	1.9
151.07480	1.5
151.11185	3.7
152.03423	2.4
159.43002	1.5
169.04956	7.1
169.07587	3.9
169.10065	3.6
169.12245	20.2
170.08205	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	6-Oxocineole
Peak:m/z	Relative Intensity
53.03952	1.7
55.01886	4.7
55.05512	14.1
56.96570	5.4
57.03421	1.2
57.07083	1.3
57.22319	1.0
59.04996	3.4
65.03925	1.3
67.05508	26.6
69.03416	1.8
69.07082	5.3
70.02376	3.1
71.01340	3.3
71.05000	6.4
76.98717	0.9
79.05129	1.0
79.05499	9.2
81.03415	2.2
81.07062	35.9
83.04975	3.1
83.08624	7.2
83.97610	0.9
85.06530	3.4
89.56770	1.0
91.05478	9.8
93.07051	5.7
95.04969	2.1
95.08618	8.3
98.20758	1.2
99.04448	3.5
100.02457	1.3
102.03351	2.2
105.07030	7.3
107.08595	6.8
109.02872	2.4
109.06523	1.2
109.10153	8.1
111.00838	1.2
111.03806	1.4
111.04450	3.4
111.08073	3.2
113.06009	1.4
113.54122	1.0
115.04144	1.5
117.07143	1.0
118.03471	1.2
119.00154	1.2
119.08549	0.8
123.04423	1.9
123.11700	6.2
124.04659	5.5
125.09540	1.0
126.03126	2.2
127.03891	1.0
133.05093	1.4
133.10132	3.5
135.55382	1.3
137.58601	0.9
141.05450	7.1
141.07002	7.1
146.04170	1.0
151.03911	2.5
151.11145	2.0
152.03445	5.2
152.07138	1.4
154.07771	4.0
157.54903	2.2
159.11685	1.1
169.05020	6.8
169.10143	17.8
169.12245	100.0
170.04347	1.1
170.08110	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03941	4.0
55.01860	2.6
55.05514	83.1
56.96569	2.3
57.03426	4.6
57.07078	2.1
59.05008	9.6
65.03941	1.3
67.05510	17.7
69.03432	24.2
69.07071	12.4
69.20389	5.3
69.20808	4.2
71.04984	3.3
71.08632	1.1
72.08146	4.8
74.11278	1.0
78.04713	1.8
79.05499	10.7
81.03420	1.4
81.07058	17.1
83.04987	100.0
83.08621	43.3
84.96037	2.1
85.06542	10.1
91.05483	5.3
93.07047	17.0
95.04958	2.3
95.08613	10.4
96.08191	1.3
97.06536	6.8
97.10173	12.1
98.21538	2.0
99.08070	2.5
103.00626	4.6
105.07027	4.5
106.64684	1.1
107.04953	2.5
107.08601	22.4
107.66327	1.1
109.06529	3.8
109.10167	21.5
111.04433	1.3
111.08086	30.8
112.08899	7.2
113.09632	4.1
119.06117	1.5
121.01691	10.5
121.06564	5.8
121.07519	1.3
121.08412	2.6
121.10142	23.4
122.09691	1.6
123.04433	3.6
123.08079	2.1
123.11707	9.7
124.05242	2.5
125.06001	4.8
125.09640	14.5
126.02225	1.2
131.08578	2.0
139.02734	2.4
139.03888	2.6
139.07596	4.9
139.11162	1.8
144.03244	9.3
149.02359	2.5
149.05997	1.6
149.09602	5.7
149.13263	7.8
152.04639	1.5
157.18192	1.2
162.04317	1.8
167.03401	2.5
167.07056	16.6
167.08440	2.0
167.10718	6.1
167.14325	60.6
175.36098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03941	3.9
55.01863	3.1
55.05513	95.2
56.96557	1.6
57.03425	3.5
57.07063	3.0
59.05005	11.1
65.45360	0.9
67.05507	17.8
69.03433	25.0
69.06735	1.0
69.07072	12.2
70.16834	0.8
70.87270	2.5
71.04971	4.4
71.08626	1.0
73.06561	1.3
79.05496	17.0
81.07060	18.6
83.04985	100.0
83.08622	47.7
83.09055	0.7
83.56753	1.0
84.96056	1.5
85.06550	11.0
91.05492	5.0
93.07052	16.6
95.04977	2.2
95.08614	10.4
97.06540	6.4
97.10165	14.3
99.08080	1.5
99.36537	0.9
103.00666	5.0
105.07044	7.6
107.05009	2.2
107.08601	29.4
109.06511	2.5
109.10168	26.4
111.08081	31.5
112.08881	8.1
113.09657	5.0
119.06907	0.9
119.08604	1.2
120.02006	1.0
121.01678	8.6
121.06499	3.2
121.08459	4.8
121.10143	21.5
123.04420	2.1
123.08092	2.1
123.11698	10.9
124.05225	1.6
125.05973	2.0
125.09639	15.6
131.08577	3.8
139.01668	0.8
139.02698	1.4
139.07562	2.7
139.11128	1.7
144.03241	8.0
149.02388	1.6
149.09654	9.2
149.13286	9.9
150.05617	1.0
152.04741	1.3
162.04306	2.8
167.03415	1.2
167.07042	16.0
167.10652	6.1
167.14325	57.8
168.14655	2.1
178.81580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01877	5.3
55.05516	82.1
56.96566	2.6
57.03437	3.3
57.07074	3.1
59.05003	9.4
65.03939	1.4
67.05510	20.4
69.03436	23.4
69.07069	12.9
69.52553	4.2
71.05003	3.5
71.08637	0.8
74.30984	0.7
78.04723	1.0
79.05501	19.8
81.03425	2.0
81.07060	18.0
83.04988	100.0
83.08627	43.4
83.16541	0.7
84.05304	1.0
84.08158	1.0
84.08979	0.8
84.96037	8.5
85.06546	9.3
88.01830	0.9
91.05488	8.7
93.07045	25.5
95.04961	4.2
95.08611	9.4
97.02328	1.8
97.02896	1.3
97.06534	6.6
97.10183	11.5
97.79833	0.7
99.08084	2.1
102.97097	0.8
103.00632	3.9
105.07043	11.8
106.02884	1.4
107.04981	4.4
107.08603	32.6
108.04498	1.0
109.06542	3.5
109.10165	25.3
111.04433	2.4
111.08092	30.4
112.08869	8.4
113.09689	3.7
115.03378	0.8
119.06093	0.9
119.08598	1.3
121.01684	13.7
121.02925	1.2
121.06503	5.3
121.08447	3.3
121.10152	29.6
122.06036	0.9
122.09731	0.9
123.04418	2.9
123.08068	3.1
123.11713	12.4
124.05200	2.1
125.06004	1.9
125.09628	16.3
131.00099	0.8
131.08580	7.3
137.09673	1.7
137.98267	0.8
139.02710	3.2
139.07545	5.9
139.11209	3.0
144.03236	11.1
149.02350	1.6
149.05995	1.7
149.07066	1.1
149.09633	15.1
149.13283	8.5
150.05446	0.9
151.03897	0.9
162.04327	2.0
167.03372	2.3
167.04774	0.9
167.07076	12.7
167.08475	1.5
167.09232	1.1
167.10677	11.1
167.14328	58.1
168.14719	0.9
186.84500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03949	2.5
55.01884	1.4
55.05515	11.4
56.96569	7.5
57.03439	1.0
57.07075	1.8
59.05008	3.5
65.03960	1.4
67.05509	7.8
68.16185	0.5
69.03435	3.0
69.07072	40.9
70.06596	0.6
71.05019	0.6
76.49644	0.5
77.03942	0.6
79.05497	17.5
81.03416	0.8
81.07056	12.8
83.05000	3.4
83.08624	3.0
84.96040	3.9
91.05479	10.3
93.03428	0.9
93.07048	74.0
95.04969	2.6
95.08614	11.4
97.06536	7.0
97.10162	1.5
97.99208	1.9
100.11256	0.4
102.02231	1.2
103.00642	3.6
103.05485	1.4
105.04549	0.8
105.07040	17.1
106.07838	0.7
107.04953	2.0
107.08602	6.2
109.06522	1.8
109.10168	2.6
111.04417	0.9
111.08083	1.1
111.11727	7.7
115.04139	1.3
116.00205	0.9
119.08577	3.2
121.01678	9.5
121.02460	0.9
121.06598	2.6
121.10150	100.0
122.06010	0.6
122.10474	1.1
123.04427	1.2
123.08086	5.2
123.11758	0.8
124.04612	1.1
125.06001	1.0
125.09637	1.5
126.02156	0.5
128.97856	1.1
131.08571	0.6
133.07617	2.6
135.08128	0.6
135.55411	0.9
138.42220	0.5
139.02719	3.0
139.03777	0.9
139.07552	2.2
139.11194	5.6
144.03244	9.6
149.02393	1.5
149.05928	0.8
149.09628	15.8
162.04353	2.4
163.03984	0.8
167.03438	1.2
167.04781	0.9
167.07048	4.7
167.08411	1.5
167.10686	45.3
168.06715	0.6
178.49887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03947	0.2
70.81384	0.4
72.00837	0.1
77.03922	0.2
79.05495	1.1
90.03441	0.2
91.05477	0.6
91.58413	0.2
93.07056	2.1
103.05476	9.3
107.04971	2.0
120.08115	100.0
121.08443	0.8
124.28394	0.2
131.04945	2.3
144.71756	0.1
149.05991	0.7
166.08627	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
51.02390	1.0
53.03945	2.6
55.01875	10.6
55.05516	16.1
56.89810	0.6
56.96332	0.6
56.96556	3.6
57.03430	2.2
57.07085	0.9
59.05001	2.5
65.03938	2.0
67.05510	14.0
68.99813	0.7
69.03432	6.4
69.07084	4.6
69.78889	3.7
70.06590	1.1
71.04990	2.4
72.08154	0.8
77.03937	1.6
78.04706	3.2
79.05498	69.5
80.05033	0.6
80.05824	0.7
81.03412	2.4
81.07063	10.8
83.04989	17.6
83.08628	8.0
84.08150	1.2
84.96049	3.5
84.99570	0.8
85.02888	1.3
85.06554	2.7
90.30305	0.7
91.05483	25.6
93.03390	1.0
93.07049	55.6
95.04967	7.2
95.08606	7.0
97.02908	1.3
97.06528	10.5
97.10185	2.6
98.05990	0.8
99.04496	0.8
103.00642	7.2
103.05479	2.5
105.04548	1.2
105.07040	48.4
106.04179	1.7
107.04960	9.0
107.08599	99.6
108.04485	0.9
108.05741	1.9
108.08898	0.9
109.02908	1.6
109.06530	6.4
109.10159	4.2
111.04451	3.0
111.08105	6.6
112.08874	0.8
113.09675	0.7
115.65145	0.7
116.06255	2.0
119.06075	1.5
119.08588	6.1
119.97271	0.7
120.02027	1.2
120.08125	1.2
121.01683	21.0
121.02988	1.2
121.04121	0.9
121.06520	18.2
121.08457	5.5
121.10149	51.5
122.05991	1.4
122.06829	0.8
122.10480	1.1
123.04450	6.9
123.08096	6.2
123.11700	1.8
124.05233	3.8
125.06007	5.6
125.09618	5.0
126.02225	1.2
128.97853	1.2
129.06976	3.2
131.08574	40.0
132.04323	0.7
135.04434	0.7
137.09625	14.0
137.98445	0.9
139.02704	6.2
139.03754	1.0
139.07553	9.6
139.11171	2.8
140.07013	0.8
144.03230	19.4
149.02359	3.1
149.05984	2.8
149.09628	100.0
149.13226	1.9
150.05443	1.2
151.03874	1.1
152.04715	2.2
162.04300	6.6
167.03384	2.9
167.04848	1.3
167.07042	32.1
167.08299	1.5
167.10681	42.3
167.14319	7.8
168.06564	1.7
168.10172	0.8
172.68825	0.7
173.40039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.65371	0.3
55.05513	4.1
57.03434	1.0
57.07057	0.4
58.44493	0.4
61.02933	0.9
65.03943	0.6
67.05508	1.6
69.03430	4.3
69.07075	2.5
71.05010	0.9
72.86420	0.4
73.02940	0.4
79.05519	2.6
81.03413	1.5
81.07068	5.2
82.01433	0.6
82.99838	1.6
83.04996	1.9
83.08624	3.1
85.02901	1.3
87.30461	0.4
91.05480	2.1
93.07066	1.7
95.04974	100.0
95.08617	3.6
96.05306	0.7
97.14105	0.4
99.04475	0.9
100.02499	0.4
101.00887	9.8
101.01507	0.7
101.02567	1.5
105.07038	3.6
106.85828	0.3
107.08599	9.6
109.06528	21.2
109.10149	1.0
111.04430	0.9
119.01930	18.5
119.04950	1.3
119.08611	2.7
119.58482	0.4
120.08067	0.5
121.10150	1.8
123.04381	0.5
123.08098	1.1
123.11728	1.5
124.02471	2.3
137.02971	3.0
137.06021	0.6
137.09616	1.3
137.13252	1.5
142.03505	19.6
147.04416	3.2
147.06474	0.6
147.11696	9.3
160.04562	3.5
165.05354	1.0
165.07695	0.7
165.09116	2.6
165.12764	63.9
166.13100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
50.38568	0.3
50.53754	0.4
53.03955	0.8
55.05514	1.9
56.96569	0.8
57.03447	2.1
59.04996	0.4
61.02922	1.0
65.03944	0.7
67.05500	1.6
67.83391	0.4
67.87291	0.4
69.03430	6.2
69.07063	0.8
70.81940	0.4
71.04994	1.0
71.53686	0.5
73.02897	0.7
79.05499	2.3
81.03411	1.2
81.07056	4.7
82.99842	2.0
83.01551	0.3
83.04998	2.2
85.02908	2.2
91.05485	22.1
93.07045	2.2
95.04980	3.3
95.08616	3.2
95.65544	0.4
97.06504	0.4
99.04455	0.9
100.02513	0.9
101.00885	13.9
101.02602	1.2
103.03933	0.4
103.05441	0.9
105.03442	0.4
105.07041	5.0
107.08595	2.5
109.06511	2.9
109.10152	1.3
111.04471	0.7
111.08110	0.4
119.01932	34.6
119.04946	45.6
119.08576	4.8
120.02086	0.6
120.05267	0.6
120.08108	1.3
121.10148	1.1
123.04434	2.5
123.08061	2.2
123.11740	1.0
124.02448	3.5
129.05536	0.6
133.02864	1.0
137.02989	5.2
137.06000	1.5
137.09624	2.1
142.03510	32.2
143.03601	0.7
147.04417	100.0
147.11682	2.5
148.04774	0.9
160.04558	6.6
165.05472	4.7
165.07535	1.6
165.09132	2.1
165.12790	4.7
166.08643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03947	2.2
55.01872	1.1
55.05515	6.6
56.96563	1.1
57.03448	5.1
57.07071	4.6
59.04997	2.9
61.02924	3.3
65.03941	3.4
66.93056	0.9
67.05511	25.5
69.03436	16.9
69.07079	7.8
70.06945	3.9
71.04984	2.2
79.05496	14.7
81.03419	4.7
81.07064	30.4
82.01463	1.1
82.99844	4.0
83.05006	7.0
83.08617	3.0
85.02913	4.8
85.06541	1.2
91.05483	18.8
93.07038	8.9
95.04975	39.4
95.08616	26.1
99.04449	2.1
100.02449	1.2
101.00890	38.8
101.02544	2.0
103.05464	2.2
105.07040	18.7
107.04942	3.6
107.08605	48.8
108.05748	1.0
109.05800	1.9
109.06519	25.5
109.09298	0.8
109.10149	4.7
110.07298	2.5
111.04424	2.3
115.90212	0.9
117.07029	3.3
119.01928	61.5
119.04942	8.7
119.08587	39.0
120.02036	1.5
120.08085	3.0
121.06454	1.6
121.10166	11.1
123.04443	1.7
123.07217	1.9
123.08080	32.6
123.11715	30.6
124.02453	7.4
132.05695	2.5
132.62050	1.3
137.02960	10.8
137.05995	2.8
137.09628	5.5
137.12352	1.7
137.13255	6.3
142.03506	65.3
147.04424	21.7
147.08047	17.8
147.11703	15.9
160.04575	13.4
165.05270	4.4
165.07649	2.3
165.09108	7.9
165.12764	100.0
166.05022	1.5
166.08607	1.1
184.27126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86013	0.6
59.67976	0.4
70.34090	1.7
72.19623	0.5
82.01486	0.6
82.99844	7.3
91.05035	0.5
100.02494	1.4
101.00888	56.0
102.00960	0.7
110.05196	0.5
111.00465	0.5
119.01929	85.6
120.02000	1.4
124.02464	14.8
137.02960	11.8
142.03508	100.0
143.03638	1.4
158.13428	0.5
160.03204	0.7
160.04553	14.4
160.05797	1.0
165.05092	2.0
183.06213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
60.30991	0.7
70.94311	1.2
82.01456	1.1
82.99849	12.3
100.02486	1.5
101.00887	71.5
102.00993	0.8
118.57709	0.6
119.01926	93.3
120.02042	1.1
124.02450	15.5
137.02951	11.5
142.03503	100.0
143.03616	1.2
160.04549	14.6
165.05099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02384	0.4
53.03944	2.5
54.37652	0.2
55.01886	0.4
55.05515	2.9
56.96571	0.6
59.60601	0.2
60.67672	0.2
61.03421	0.2
65.03947	0.6
67.05511	0.7
68.59878	0.3
69.03435	0.7
69.41862	0.5
69.42258	1.8
73.29154	0.2
77.03930	0.6
79.05497	1.1
80.05015	0.6
81.03420	0.5
81.07072	0.9
82.01439	3.1
82.99853	0.3
83.01497	0.3
83.05016	0.4
83.08627	0.6
85.02904	0.4
90.01557	0.2
91.04912	0.4
91.05479	6.8
92.05819	1.4
93.05788	1.4
93.07042	4.6
94.06582	0.5
95.04968	1.9
98.20769	0.5
100.02487	6.9
101.00881	2.4
102.67599	0.3
105.04527	1.4
105.07014	0.3
106.07389	0.3
107.04951	0.8
108.04479	1.1
108.05302	2.6
108.08132	3.4
108.08831	0.5
118.03532	2.4
118.06528	1.0
119.01920	3.2
119.04971	0.5
119.07349	0.4
120.05241	1.6
122.06034	1.5
123.04086	0.5
123.33031	0.3
124.02441	0.3
126.05526	2.1
131.05879	0.2
132.05278	0.5
136.07581	100.0
137.02965	0.4
137.07918	1.0
140.07069	3.0
141.05103	0.5
142.03479	2.4
143.01904	2.6
144.06190	0.3
146.10576	0.4
147.04410	0.5
160.04564	0.4
161.02936	1.8
162.03146	0.2
164.02924	0.5
164.04260	10.6
164.07062	23.6
164.11687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03948	8.4
55.01625	1.9
55.01873	18.7
55.05513	13.4
56.96572	8.5
57.03447	8.9
57.03664	1.4
57.07072	3.7
61.02922	1.7
63.02374	2.4
65.03923	1.5
67.05511	21.9
69.03441	11.5
69.07072	12.1
70.34749	5.2
71.04982	2.0
74.00246	2.9
77.03888	2.0
79.05495	59.4
80.05033	1.3
81.03401	6.6
81.07059	25.9
82.01437	3.1
83.00790	2.9
83.04973	5.0
84.96048	1.6
85.02898	2.3
85.51044	1.6
89.03927	20.8
91.05488	35.8
93.07047	68.8
94.51563	3.0
95.04968	15.7
95.08612	20.5
96.01535	2.0
96.29478	1.5
97.06534	2.5
98.21428	2.0
98.57382	1.6
98.97591	8.3
99.95806	1.5
100.02480	6.4
103.05464	12.5
105.04515	3.8
105.07037	33.4
107.04955	30.9
107.08601	59.2
107.91057	1.6
109.06515	3.7
110.01325	3.1
110.97597	1.6
115.05466	4.1
116.98648	2.0
117.03384	18.3
117.06250	2.6
117.07024	38.6
118.03475	1.6
119.01778	2.3
119.04961	4.3
119.08596	23.0
121.06503	21.4
121.09345	1.9
121.10152	22.7
128.02306	2.5
128.06187	1.8
129.07010	2.1
130.06456	1.7
130.07793	13.3
130.52580	2.8
131.04965	9.9
132.08080	3.0
133.02858	6.0
133.10144	4.4
135.04430	38.6
135.08060	9.6
135.11697	37.3
143.08562	5.4
145.02855	12.1
145.06480	3.0
145.10132	66.2
163.03914	93.8
163.07532	6.5
163.11186	100.0
163.14827	5.9
164.07094	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02382	0.5
53.03951	2.9
55.01870	1.0
55.05513	5.8
56.96572	1.4
57.03435	1.6
57.07074	2.2
59.05016	0.5
61.02934	0.7
65.03938	1.0
67.05500	1.9
69.03429	5.1
69.07075	9.3
71.04644	1.2
71.04998	0.8
73.02928	0.8
77.03926	1.2
78.45798	0.6
79.05495	11.7
81.03416	0.9
81.07059	4.1
81.60266	0.5
82.01447	0.9
83.08619	3.5
85.02907	1.9
87.04445	0.5
89.03922	2.1
89.06055	1.0
91.05487	19.2
93.07049	44.7
93.54926	0.5
94.07354	0.8
94.51621	0.6
94.81543	0.5
95.04961	2.0
95.08609	2.6
98.97603	1.6
99.04467	1.0
100.02473	0.7
101.74402	0.5
103.05474	6.9
105.04528	0.6
105.07034	16.1
106.07807	0.6
107.04958	4.0
107.08600	100.0
108.08878	0.7
109.06529	2.7
115.05471	1.0
117.03378	3.0
117.05582	0.7
117.07035	3.2
119.01823	0.7
119.04935	1.1
119.06135	2.5
119.08583	10.8
120.09356	2.4
121.06526	2.8
121.10146	27.9
123.08036	0.8
130.06682	0.7
130.07779	1.9
131.04935	9.2
132.08089	1.0
133.02853	2.3
133.10123	1.0
135.04425	6.7
135.08102	2.7
135.11697	95.0
136.12042	1.0
137.09650	0.6
145.02863	2.0
145.03912	0.6
145.06493	1.6
145.10136	8.0
163.03915	24.1
163.07527	4.2
163.08694	0.8
163.11182	21.6
163.12520	1.4
163.14825	11.8
164.07085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
53.03941	0.4
55.05478	0.4
56.96559	0.7
57.07069	0.8
65.03936	0.8
66.30448	0.3
68.99795	0.4
69.47095	2.1
72.09388	0.3
74.30748	0.3
79.05475	1.0
84.88387	0.3
89.03910	0.3
89.06017	0.6
91.05482	14.8
93.07059	0.6
95.04961	0.8
101.62330	0.3
103.05463	1.1
105.07043	0.4
107.04958	30.8
107.08561	0.7
114.57102	0.3
115.00443	0.3
117.03355	0.3
119.00726	0.8
119.04945	18.8
121.10188	0.6
128.01266	9.9
128.51454	0.9
131.04930	1.1
135.04414	2.5
135.11690	0.4
136.07568	0.7
137.01784	7.9
137.51968	0.8
138.69881	0.3
139.52051	2.3
140.02234	0.4
145.02849	0.5
145.06389	0.3
145.10127	0.4
146.02219	0.6
148.52585	1.5
155.85442	0.3
163.03906	100.0
163.11145	0.8
164.04234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.42532	1.3
52.17590	1.0
53.03949	11.1
55.01641	1.4
55.01876	20.0
55.05519	8.0
56.96571	6.2
57.03435	10.5
57.07057	3.2
61.02921	2.2
67.05135	1.2
67.05506	22.5
69.03419	5.1
69.07072	9.3
70.85400	3.0
71.04984	2.1
71.42101	1.0
73.02903	1.5
74.90800	1.0
75.00541	1.0
77.03905	2.3
79.05496	56.1
81.03408	6.5
81.07064	25.1
82.01447	1.7
83.00827	2.1
83.04973	5.0
84.08138	1.1
85.02926	2.1
91.05482	34.2
92.02622	2.7
93.07050	62.8
94.51553	3.2
95.04979	20.2
95.08614	18.4
96.01586	1.9
97.06505	1.5
98.97569	8.4
100.02511	7.3
103.05493	6.8
103.52071	1.5
105.03397	2.3
105.04519	3.4
105.07037	31.9
106.06574	1.5
107.04961	27.4
107.08599	51.2
109.06525	4.3
109.52135	1.3
110.01263	3.7
115.05468	2.3
116.06240	1.6
116.98643	2.9
117.05702	1.6
117.07027	39.6
117.07858	2.3
118.03531	2.6
119.01802	4.0
119.04916	2.6
119.08590	23.4
121.06506	15.9
121.10131	14.5
128.02303	3.8
128.06175	1.5
129.07019	1.6
130.06464	1.2
130.06918	1.1
130.07796	10.9
130.52586	3.5
131.04910	2.5
132.08060	1.3
133.02863	22.6
133.06573	1.4
133.10133	5.1
134.07237	3.1
135.04436	23.8
135.08078	8.5
135.11702	31.1
135.12727	2.2
136.89600	1.2
139.53136	1.9
140.00233	1.5
143.08574	3.9
145.06458	1.3
145.10132	53.6
145.11290	2.6
158.99652	1.5
163.03915	100.0
163.07570	2.8
163.11185	88.2
164.07095	3.1
177.00778	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1126
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
53.29281	0.5
54.98688	0.4
55.01860	0.5
55.05503	1.5
56.09441	0.5
57.03428	1.9
58.06590	1.1
59.07378	0.7
59.33290	0.5
60.08168	31.2
70.06602	0.6
70.77859	0.7
70.78172	0.8
71.04988	1.1
73.06552	2.0
76.07620	0.7
83.08652	0.4
83.75383	0.4
84.04484	0.9
84.08160	2.1
85.02910	16.2
87.04453	2.0
90.05551	1.2
98.06050	1.4
98.55470	0.5
102.00941	0.5
102.05536	0.5
102.08492	0.5
102.09185	17.7
103.03947	38.4
107.36520	0.4
116.07079	0.6
119.45953	0.4
120.23409	0.4
124.21439	0.4
126.09164	1.0
128.30568	0.4
133.03459	0.5
144.10156	0.7
149.87691	0.5
162.11263	100.0
163.11624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
53.03946	0.7
55.05522	0.4
57.03433	0.3
63.11514	0.2
65.03944	1.2
65.15817	0.2
67.05527	0.2
68.99798	0.6
70.00700	0.3
70.01118	0.5
75.61456	0.2
77.03937	0.3
79.05489	1.5
81.07023	0.2
89.03915	2.7
91.05484	14.9
92.05831	0.2
95.04963	0.5
103.05489	0.4
107.04957	32.2
108.05313	0.3
109.06483	0.2
117.03388	3.0
119.04942	17.9
120.05344	0.2
131.04951	0.6
133.34753	0.2
135.04424	6.4
135.07976	0.2
145.02861	2.1
151.07587	0.3
163.03903	100.0
164.04239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	3.0
55.05498	2.6
56.05038	1.4
56.96299	1.3
56.96568	18.1
57.03440	7.3
58.06591	2.5
58.99580	2.5
59.04992	1.4
59.07365	0.9
60.08166	29.4
60.95847	2.0
61.02916	3.7
67.05521	1.1
68.00278	2.3
69.03436	4.3
69.87870	4.1
70.06583	3.4
71.04994	6.9
72.08138	2.0
73.02907	2.7
73.06561	1.9
74.06071	1.9
74.97616	1.2
75.12490	0.8
77.00775	2.3
79.01292	1.4
79.95432	0.8
81.03417	1.8
81.07056	1.2
83.00787	1.4
83.04976	3.3
84.01585	1.0
84.04507	2.6
84.08131	2.3
85.02441	1.4
85.02910	18.7
86.99045	2.3
87.04463	2.3
88.01800	9.3
88.03963	1.5
88.99164	0.9
90.05512	1.2
91.05506	1.1
94.51628	0.9
96.01534	1.3
97.00529	0.9
97.02339	46.0
97.02887	3.4
97.52502	2.3
97.99157	0.8
98.06080	6.5
98.97588	12.7
99.04451	1.8
101.00864	3.4
102.00939	7.0
102.05556	1.8
102.09179	17.4
102.96886	14.6
103.00572	5.2
103.01292	1.3
103.03948	38.8
103.05450	2.0
104.10731	0.9
105.02068	1.1
106.02859	58.2
106.06572	1.3
106.53027	2.3
108.53175	0.9
109.00492	0.9
110.01284	1.2
110.97645	1.1
112.01028	1.5
112.02868	0.9
112.07614	1.2
112.99145	17.2
115.00716	1.2
115.03373	29.2
115.04175	1.6
115.53535	1.3
116.01666	2.3
116.07091	2.3
116.98632	3.2
117.02024	1.1
117.05571	1.1
117.53615	2.1
118.01014	2.1
119.01879	7.3
120.02012	19.7
120.08112	4.7
120.97913	8.5
121.01662	8.6
121.02885	0.9
123.02048	1.3
123.52994	1.1
126.09113	1.1
127.00698	1.7
127.01541	3.2
128.98660	1.3
131.00188	11.6
132.02603	5.1
133.01584	2.4
133.03520	1.4
133.07610	3.3
134.03603	1.0
134.06018	1.5
135.04417	0.8
136.48390	1.1
137.02998	1.0
138.03137	4.0
138.98949	2.7
139.02679	1.4
139.53023	1.1
140.98639	0.9
141.03072	5.1
143.01924	1.4
144.03258	4.5
144.06555	1.4
145.01692	2.0
145.07593	2.6
145.48901	1.3
149.01227	5.2
152.53981	0.9
156.85263	0.8
156.97511	1.4
157.03569	0.9
161.05005	1.0
161.06648	1.5
162.03084	2.0
162.04266	1.6
162.05475	12.0
162.09317	4.3
162.11263	100.0
163.03952	3.6
163.08675	25.4
174.98581	1.0
175.02768	3.1
175.11929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31115	0.9
53.03942	2.1
55.01863	3.3
55.05497	3.6
56.96568	17.8
57.03445	7.8
58.06583	1.7
58.99577	1.7
59.04987	2.6
60.08168	32.2
60.95851	3.1
61.02922	4.5
67.05501	1.6
68.00264	2.4
69.03423	5.5
69.59873	0.9
70.00691	2.1
70.01077	2.4
70.06610	4.6
70.98121	1.1
71.04994	5.9
71.95239	0.9
72.08155	2.1
73.02925	4.9
73.06560	1.9
74.06075	2.6
77.00791	2.0
79.01261	1.8
79.05489	1.9
81.03409	2.1
81.07042	1.2
82.00056	1.3
83.04967	2.2
84.04510	4.4
84.05309	1.4
84.08147	2.4
85.02907	21.2
86.06065	1.4
86.99043	1.4
87.04458	2.2
88.01791	8.2
89.03938	1.1
90.03342	1.1
91.02322	1.8
91.05469	1.0
93.07010	1.4
93.52536	1.0
95.05013	1.8
96.01546	1.3
97.02344	39.5
97.02908	4.2
97.52497	2.4
98.06045	3.2
98.97585	13.6
99.04453	1.0
100.02491	1.4
100.11269	1.0
101.00869	3.6
101.02398	0.9
102.00964	10.6
102.05547	1.8
102.09193	16.4
102.96876	19.4
103.00613	8.2
103.02380	1.1
103.03946	37.4
103.05459	2.0
104.01292	1.0
104.10754	1.0
105.51626	1.2
106.02856	61.0
106.06574	2.5
106.53043	2.1
108.53089	1.1
109.00479	1.3
110.01282	2.8
110.97551	1.3
112.01044	3.0
112.07590	1.1
112.99137	13.9
114.00957	1.2
115.00651	2.9
115.02575	1.3
115.03373	25.2
116.07080	4.5
116.55923	1.2
116.98659	4.6
117.02093	1.6
117.53670	2.4
118.01030	2.6
119.01910	11.0
120.02013	32.4
120.06604	1.5
120.08093	6.7
120.96550	1.0
120.97926	11.3
121.01661	11.4
121.52919	2.8
125.02653	1.3
127.01579	4.7
127.03938	1.2
129.51875	1.2
130.53445	2.0
131.00182	13.2
131.01874	2.1
132.02615	6.4
132.53520	1.0
133.01604	2.3
133.03525	2.0
133.07607	2.3
133.98099	1.4
134.03569	2.1
134.05994	1.4
135.03175	1.6
135.04399	2.8
137.02968	2.1
138.03030	7.9
138.98943	3.7
139.02690	1.9
141.03067	7.4
141.07120	1.4
144.02193	1.4
144.03270	8.6
145.01659	1.7
145.07634	2.6
145.48883	2.6
149.01219	3.8
156.97491	1.9
157.03471	2.2
159.03545	1.1
161.01256	1.7
161.06625	1.4
162.03198	2.9
162.04306	2.6
162.05450	10.5
162.09315	5.1
162.11261	100.0
163.02708	1.9
163.03934	5.6
163.07352	1.0
163.08687	20.5
174.98563	1.1
175.02795	1.5
179.05830	1.2
179.99142	1.0
180.04195	3.2
181.73956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	1.4
53.64515	0.7
55.01864	1.1
55.05509	3.4
56.96573	1.2
65.03929	1.1
67.05507	17.1
69.03429	3.9
69.07076	4.3
71.54887	1.0
72.08117	1.0
77.03926	1.0
79.05494	25.0
79.60269	0.6
81.07059	20.6
83.04986	0.9
83.08634	1.6
88.02240	0.7
91.05482	63.9
93.06491	0.9
93.07046	16.6
95.04948	1.4
95.08607	10.8
96.89431	0.6
97.02864	0.9
100.07562	1.0
103.02441	1.0
103.05459	1.9
104.06230	0.7
105.03404	1.1
105.07031	60.5
106.07310	0.9
107.08583	3.8
108.11718	0.6
115.05461	3.0
116.05791	1.4
117.07014	23.3
118.06570	1.1
119.06124	1.2
119.08583	49.7
120.09390	0.8
121.06514	5.8
126.06287	0.6
127.56585	0.9
128.06213	4.4
129.04720	0.7
131.04916	0.9
131.08554	2.9
133.06500	4.3
133.10127	46.6
134.75290	0.6
143.08548	9.9
145.06445	1.2
146.07272	12.0
146.08409	0.8
159.11646	2.5
161.06053	3.6
161.06728	0.8
161.07314	1.7
161.09619	83.5
161.13255	100.0
162.05441	0.7
162.10077	0.9
162.11301	1.0
162.13564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03944	0.6
55.05515	5.5
61.09521	0.2
69.03418	0.2
69.07069	1.9
69.41960	1.3
69.42370	0.4
77.03939	0.3
77.61346	0.2
79.05507	1.3
81.07043	1.0
82.80853	0.2
83.52048	0.2
91.05482	6.3
93.07043	1.0
101.00861	0.3
103.05452	0.9
104.06229	0.5
104.63227	0.2
104.88024	0.2
105.07033	13.8
107.08598	0.9
115.05467	0.8
117.07019	2.0
118.04193	0.3
119.08582	100.0
120.08894	1.1
121.10139	2.2
131.08563	1.7
133.06477	1.0
133.10135	13.5
134.10457	0.3
137.52794	0.3
143.08591	0.4
145.09985	0.3
146.03635	0.5
146.10913	0.5
159.11682	0.8
161.05992	1.0
161.07143	0.2
161.09618	1.8
161.13260	17.0
162.05623	0.2
162.13551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.45406	0.3
55.01846	0.7
55.05495	1.3
56.46281	0.3
67.05502	2.5
69.03427	5.3
69.07057	0.6
71.54292	0.5
79.05157	0.3
79.05507	4.0
81.07059	3.5
83.04983	0.4
91.05485	12.8
93.07051	4.9
95.04996	0.5
95.08579	1.2
103.05469	0.6
105.03349	0.5
105.07036	37.7
106.07381	0.8
107.04954	1.6
107.08604	0.8
115.05468	1.0
115.09485	0.4
117.07016	2.4
118.06530	1.1
119.04930	0.6
119.08581	15.6
121.06509	10.7
126.06361	0.8
128.06227	5.1
131.04929	1.6
131.08549	1.6
132.05717	0.9
133.06503	2.4
133.10136	25.5
141.06953	0.5
143.08537	7.6
145.06500	2.3
146.07271	18.4
159.08054	1.3
159.11652	0.6
161.09622	100.0
161.13252	17.5
162.09966	0.9
162.11148	0.4
169.59703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76211	0.9
51.87249	0.7
54.37907	0.8
67.05518	0.9
69.03439	1.3
70.10327	2.8
77.03908	0.7
79.05495	1.1
91.05491	4.1
93.07057	2.8
98.20863	1.0
105.07036	27.6
107.04931	1.1
119.08581	5.6
121.06508	13.1
128.06218	2.9
131.04915	1.6
131.08534	1.5
132.05710	1.4
133.06519	2.1
133.10147	20.5
143.08545	2.2
145.06483	1.6
146.06166	1.6
146.07274	22.3
161.09624	100.0
161.13228	5.1
162.09993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03955	2.4
55.01871	4.8
55.05517	1.8
56.96567	2.3
57.03442	0.4
67.05508	1.2
69.03429	1.7
69.07072	1.4
70.06588	0.6
70.30904	1.4
71.05003	0.8
72.08137	0.8
74.06049	0.5
77.03946	0.8
78.93156	0.5
79.05497	17.2
81.03456	0.6
81.07059	4.0
83.05003	1.0
85.02909	0.9
87.04478	0.5
89.00785	0.4
89.03886	0.7
91.05486	10.2
93.07053	3.4
93.07537	0.5
95.04989	2.7
95.08611	0.8
97.06538	0.9
98.97609	0.8
101.06018	0.5
101.95058	1.5
102.04662	0.6
103.02467	0.5
103.05470	17.0
105.03403	1.0
105.04535	1.2
105.07037	100.0
106.07372	1.1
107.04969	0.8
107.08596	0.7
113.02393	1.2
115.05465	20.4
116.05770	0.7
117.07017	2.5
118.04182	3.8
118.06541	1.6
119.01944	1.0
119.04961	0.5
119.06844	0.7
119.08590	12.2
120.08096	0.7
121.06535	1.5
127.56635	0.5
128.06244	2.0
131.04942	3.0
131.08569	1.1
132.05713	1.4
133.06500	39.3
133.10138	11.9
134.06870	0.5
143.04994	0.5
143.06049	6.8
143.08525	3.0
146.03639	2.9
146.07269	2.4
161.04628	1.0
161.05981	16.7
161.07056	1.0
161.09608	16.8
161.13266	14.7
162.05446	1.0
162.09074	0.6
162.11243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02364	0.6
53.03947	2.8
55.01875	4.9
55.05511	2.1
56.96577	2.7
57.03419	0.9
60.95855	0.6
67.05502	1.5
69.03429	2.0
69.07070	1.4
71.05006	0.6
71.53368	1.0
72.08136	0.5
73.02909	0.6
77.03939	0.8
78.93177	0.7
79.05495	16.4
81.07063	5.4
83.00774	1.5
83.04970	0.9
85.02927	0.5
91.05482	9.5
91.22784	0.4
92.01305	0.9
93.07044	3.0
94.51562	0.9
95.04976	2.8
95.08630	1.1
97.02903	1.5
97.06541	0.6
98.97590	0.7
101.95042	1.4
103.03988	0.8
103.05471	17.3
103.52078	0.5
105.03401	0.9
105.07034	100.0
106.06657	0.7
106.07364	1.5
107.04908	0.7
113.02385	1.7
115.05456	21.6
116.05770	1.0
116.07134	0.5
116.98602	0.5
117.03862	0.7
117.07008	2.5
118.04139	4.1
118.06566	1.8
119.01930	1.6
119.06888	1.2
119.08584	15.9
119.95788	0.9
121.06503	1.0
126.06356	0.9
128.06242	2.4
131.04929	2.7
131.08597	1.3
132.05690	1.4
133.06496	37.7
133.10133	13.6
137.02983	0.8
143.04985	0.8
143.06036	6.8
143.08530	4.5
144.04411	0.7
146.03645	3.2
146.07260	2.7
146.10959	0.7
161.03096	0.5
161.04605	0.4
161.05978	15.1
161.07150	1.9
161.09602	16.1
161.13258	21.2
162.05481	0.7
162.11263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
55.01880	1.3
55.05271	0.3
55.05507	1.4
56.96571	2.4
57.03435	2.3
58.06598	0.5
59.05009	0.7
60.04526	0.4
60.08170	0.7
60.95863	0.3
61.02938	1.2
68.99796	0.4
69.03439	1.6
69.70118	1.2
70.06592	0.6
70.98120	0.4
70.99869	0.4
71.02979	0.4
71.04998	2.6
71.59795	0.3
72.08167	1.2
73.02920	2.4
75.01937	0.3
79.05494	0.4
80.02928	0.3
80.05859	0.5
81.01933	0.4
81.03403	0.9
82.01455	0.6
82.99847	4.3
83.01378	0.3
83.04984	1.1
84.04533	0.3
84.08139	0.7
85.01416	0.5
85.02905	2.0
87.01902	0.3
87.04484	0.5
89.00847	0.3
89.03458	0.7
92.52653	0.2
92.77189	0.3
93.01939	0.3
94.02696	0.4
95.03417	0.3
96.02454	0.4
97.01397	0.3
97.02335	0.8
97.02905	2.4
98.03989	1.7
98.04565	0.3
98.06064	0.5
98.97582	2.0
99.04467	0.9
100.02508	0.9
100.97228	0.4
101.00888	40.7
101.03472	0.6
101.06017	0.4
101.95036	0.5
101.97710	0.3
102.00936	2.0
102.02421	1.0
102.04223	0.3
102.96883	0.7
103.00634	0.9
103.02439	1.0
103.03965	0.7
104.10770	0.5
105.02996	0.2
105.07024	0.4
105.51671	0.3
106.02868	1.3
106.52417	0.4
107.04556	0.5
107.05221	0.6
108.02500	0.3
109.02923	0.6
109.53004	0.3
110.01257	0.9
110.02166	0.3
110.03999	0.6
110.97569	0.3
111.00451	0.3
111.02940	1.1
111.04448	0.7
111.53005	0.4
112.99149	0.4
113.00871	0.8
113.02395	0.4
114.04150	0.5
114.52176	0.3
115.02439	3.0
115.03284	0.5
116.02155	0.3
116.03967	0.6
116.05784	1.2
116.98618	0.6
117.02039	0.5
117.02902	0.3
118.01087	0.3
118.03545	0.4
118.06546	0.3
119.01926	100.0
119.98802	0.8
120.02005	4.2
120.04200	0.3
120.08101	0.6
120.97913	0.3
121.01653	0.7
121.02423	0.3
121.52942	0.6
122.03961	0.4
122.52879	0.3
123.02946	0.6
123.04709	0.5
124.01806	0.5
124.02605	0.3
125.02602	0.9
125.04468	0.5
126.06330	0.7
127.02387	0.3
127.03867	0.4
129.01895	0.5
129.03961	1.2
129.04797	0.5
130.53287	0.3
130.54124	0.8
131.00186	0.6
131.01917	1.1
132.03458	0.5
132.05080	0.3
133.01682	0.5
133.03476	5.2
134.03598	0.5
135.03214	0.6
137.02957	20.6
137.99857	0.6
138.03032	0.9
138.05237	0.5
139.02475	0.3
141.03999	0.8
142.03508	1.2
143.01906	2.8
143.03610	3.3
143.08966	1.1
144.03264	0.6
145.03453	1.2
146.04956	0.3
147.01360	0.4
147.05025	0.8
149.03705	0.6
149.54854	0.7
155.01852	0.3
156.97433	0.5
157.03488	0.9
159.05051	2.9
160.56607	0.6
161.01541	0.5
161.02951	9.7
161.04378	0.6
161.06696	0.6
161.09705	0.4
161.10902	0.5
162.03156	0.3
162.05568	0.3
162.11252	1.4
171.05003	1.0
173.03038	0.5
174.98698	0.3
177.04604	0.4
177.06093	2.2
178.06245	0.4
179.04015	7.0
179.05597	0.4
184.04527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43825	0.2
52.70684	0.2
57.03955	0.2
64.49475	0.2
68.08553	0.2
71.24039	0.2
71.51644	0.3
82.99846	5.1
83.99928	0.3
85.01409	0.3
91.41831	0.2
100.02499	0.3
101.00885	46.6
102.00950	2.5
103.00642	0.5
104.89773	0.2
107.05259	1.0
111.00423	0.4
111.04453	0.7
116.05798	1.4
116.55890	0.4
119.01925	100.0
120.01994	3.4
121.02383	0.4
121.03625	0.2
124.02512	0.3
125.02623	0.4
127.51560	0.2
137.02962	18.7
138.03076	0.7
142.03516	1.3
143.01872	0.5
143.03636	3.7
144.03212	0.4
147.05055	0.3
161.02971	7.7
161.04570	0.7
162.92456	0.2
174.03226	0.2
179.04015	7.7
184.04556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.097
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
53.03942	3.6
55.01868	2.2
55.05512	4.9
56.05026	1.2
57.03426	3.3
59.00236	0.8
59.05005	1.2
60.04526	0.9
60.08176	1.1
67.05495	2.3
67.10574	1.1
68.05025	5.3
69.03426	6.2
69.07066	2.4
70.06592	7.5
70.26350	2.4
71.04996	6.0
72.08157	0.8
73.02914	3.3
79.05495	40.0
80.04591	0.8
80.05019	17.2
81.03418	30.2
81.07043	3.4
82.06582	2.8
83.04489	1.3
83.04977	17.4
84.08134	3.2
85.02908	2.1
86.06080	0.9
87.04443	1.0
88.02682	1.0
89.03431	2.4
95.03479	2.0
95.04967	8.9
96.08121	4.9
97.02301	1.3
97.02898	4.1
97.06540	8.7
98.03987	3.6
98.06056	32.2
98.97587	1.2
99.04449	6.9
100.07619	10.0
101.00881	4.7
101.03449	4.3
101.06025	6.4
101.53533	1.1
104.03977	1.5
106.06574	1.6
107.04966	15.7
108.04211	1.2
109.03130	1.1
110.03949	1.7
111.02940	1.4
114.09171	2.5
115.02441	2.3
116.07109	6.3
118.03860	0.8
118.08648	0.9
118.44240	0.9
119.01894	4.6
121.04990	1.0
124.02499	0.9
124.05549	1.8
124.07594	41.4
125.05997	78.4
129.03969	2.1
130.05513	3.1
133.03474	8.4
139.04156	1.1
141.04027	1.4
142.03506	1.8
142.08638	100.0
143.07040	15.2
147.05040	1.2
148.04797	1.5
159.05035	5.6
160.09695	78.7
160.13338	2.4
175.04541	0.9
177.06075	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05502	0.7
56.96558	1.0
67.05515	3.5
69.03407	0.7
69.62280	2.3
69.62688	1.3
71.04994	0.6
71.06883	0.7
76.92866	1.4
76.93355	1.6
79.05509	2.9
81.07070	2.1
87.26698	0.7
88.68501	0.7
89.40796	0.7
91.05479	8.7
93.07032	0.9
95.04957	0.9
97.02881	0.7
97.06538	0.6
98.06084	0.9
98.09703	1.1
98.20853	1.1
98.97583	2.2
99.10024	1.6
105.07034	14.5
113.02344	1.7
113.06027	0.7
113.07958	1.0
114.09157	0.7
115.05450	2.4
116.06274	1.2
116.98626	1.0
117.07021	25.1
117.95985	1.8
118.06521	0.9
119.08582	5.4
125.05956	1.1
129.07005	7.6
130.07774	6.7
131.08575	47.3
141.01842	8.0
141.14702	1.0
142.07722	0.9
142.08676	1.6
143.08501	1.1
144.05711	1.6
144.09363	11.7
157.10098	2.4
159.08092	9.8
159.11699	100.0
159.15758	11.9
160.09673	1.6
160.12010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.24781	0.4
55.05507	0.7
56.96569	2.6
57.03428	0.5
57.64359	0.4
60.04520	0.8
64.88712	0.4
67.05504	2.8
68.05838	0.6
69.03442	0.8
69.07064	0.5
70.06583	1.0
71.04972	0.5
71.06931	0.5
71.54585	0.5
71.54929	0.6
76.92454	0.6
76.92860	7.0
76.93354	2.2
79.05499	1.6
81.03400	0.9
81.07058	1.2
82.87419	0.4
83.05000	0.7
85.02917	0.7
91.05485	7.6
94.94384	0.7
95.04987	0.7
97.02921	0.4
97.06557	0.6
98.06047	1.2
98.09705	0.7
98.97586	6.6
99.04472	0.6
99.10014	1.1
100.02487	0.5
100.07635	0.5
103.05451	0.8
105.07037	15.7
107.37650	0.4
113.02368	1.8
113.06029	0.5
113.07960	0.6
114.09154	0.7
115.05460	2.4
116.06231	1.4
116.06996	0.5
116.47961	0.4
116.98628	4.2
117.07021	16.4
117.96030	3.7
117.98976	0.9
119.08582	8.3
124.07645	0.5
124.58914	0.7
125.05985	1.2
128.06201	1.0
129.07014	10.3
130.07817	4.2
131.08572	26.7
133.59351	0.5
134.99681	2.8
135.96999	1.6
136.09697	0.5
140.00246	0.8
141.01831	7.4
141.07359	0.9
141.14641	1.1
142.07700	0.9
142.08659	1.2
143.08548	1.7
144.05688	2.1
144.09364	22.6
145.06444	0.5
157.10150	3.5
158.01314	0.8
159.08080	12.3
159.11700	100.0
159.15752	10.8
160.09750	2.2
160.12053	1.5
164.04143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03968	0.6
55.05518	0.9
56.96568	7.5
57.03432	1.0
57.78514	0.4
60.52144	0.3
65.81387	0.5
67.05512	3.7
67.85398	0.4
69.83438	1.5
70.06609	0.8
71.05013	0.9
71.06935	0.6
71.95296	0.4
76.92878	2.0
76.93384	2.3
79.05479	2.2
81.03442	1.0
81.07057	1.6
81.48763	0.3
91.05484	11.7
93.07065	1.3
94.94427	0.7
95.02600	1.0
95.04999	0.6
97.06526	0.7
98.06078	1.0
98.09648	0.4
98.97596	6.1
99.10027	0.4
99.97947	0.6
103.05499	1.1
105.07039	15.3
106.07401	0.4
113.02397	1.6
113.06035	0.7
113.54591	0.5
114.05561	0.4
114.09221	0.5
115.05464	4.1
116.06242	1.8
116.98624	4.5
117.07025	26.6
117.96013	3.5
117.99034	0.6
118.06575	0.7
119.08601	6.3
125.06000	0.5
126.05171	0.6
126.55325	1.6
128.06230	1.0
129.06049	0.7
129.07016	12.0
130.07797	15.5
131.08577	62.7
132.08954	1.0
134.99643	2.3
135.05637	0.6
135.55844	1.7
135.97054	1.9
141.01825	5.8
142.07735	0.8
142.08673	1.2
143.08577	0.8
144.09348	16.0
157.10146	3.5
159.08121	2.8
159.11699	100.0
159.15764	6.8
160.09703	1.7
160.12039	1.5
164.04205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05504	1.3
56.96348	0.4
56.96570	5.0
57.03433	1.1
65.03936	0.5
67.05502	5.4
69.07048	0.5
70.06592	1.1
70.26158	1.7
70.98102	0.9
71.04954	0.9
76.92860	2.0
76.93359	3.4
79.05491	6.9
81.03409	1.4
81.07073	5.5
83.04974	0.9
84.08173	0.8
85.02905	0.8
87.00840	0.9
91.05481	15.1
91.53689	0.9
91.92945	0.5
93.07059	2.6
94.94399	0.6
95.04945	1.3
95.08643	0.5
97.06512	0.8
97.53719	0.8
97.99255	0.5
98.06056	1.2
98.09695	1.1
98.97588	6.8
99.04476	0.6
99.10025	2.0
99.97963	0.5
100.02499	1.1
100.03931	0.5
103.05470	0.7
105.07034	15.0
113.02352	1.9
113.06000	0.8
113.07942	0.7
115.05447	2.8
116.06242	1.4
116.98630	4.9
117.01856	1.3
117.07021	45.4
117.95992	4.2
118.06480	0.5
118.07863	0.9
118.08644	0.6
119.08585	3.5
125.05995	1.0
128.06235	0.9
129.07021	6.1
130.07799	4.6
131.08571	56.7
132.07999	0.7
132.08875	0.7
134.99643	2.2
135.96992	1.5
140.00153	0.6
141.01822	8.3
141.05402	0.7
141.07404	1.0
142.08650	2.2
144.09354	7.4
157.10146	3.1
158.01260	0.6
159.04370	0.9
159.08098	5.4
159.11696	100.0
159.15735	9.2
160.09732	2.3
160.12010	1.6
163.03929	0.8
164.04282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49931	2.6
51.50171	2.6
60.62736	2.4
65.96978	2.9
69.64336	4.9
69.64742	11.4
70.06589	4.1
71.04962	4.5
79.05479	3.0
81.03398	4.0
81.28458	2.9
98.06044	6.3
99.04425	4.0
101.00859	5.4
107.05003	2.8
111.05547	3.3
114.09168	3.3
119.01929	6.6
124.07557	4.2
125.05992	8.2
133.03510	4.2
134.07776	2.4
142.08647	12.7
159.05125	5.5
159.06300	100.0
159.08328	4.8
160.09662	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	159.063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
62.55307	2.2
69.82725	2.1
70.06567	4.0
71.03193	6.0
79.05491	5.9
81.03422	5.2
85.02887	3.5
98.06032	6.9
101.00889	6.4
113.02457	2.6
119.01952	9.7
123.05543	3.6
124.07597	3.2
125.05984	9.8
133.03444	2.6
136.41248	2.8
142.08669	13.0
159.05095	5.5
159.06303	100.0
159.15756	2.6
160.09735	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	158.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52136	0.4
55.05518	3.1
56.05035	2.4
56.44695	0.4
56.96296	0.6
56.96567	8.3
57.03441	4.1
57.07084	0.5
57.93580	0.7
58.06626	0.7
60.04529	15.2
64.21992	0.4
67.05493	2.3
68.05025	0.4
69.07069	4.3
70.06596	4.6
71.05007	1.0
71.09682	0.6
71.10019	0.7
71.95274	2.2
74.06082	3.7
79.05505	2.1
81.07060	19.6
82.29358	0.3
84.04512	0.9
84.08163	1.1
86.06097	0.5
86.09711	5.2
95.04994	0.4
95.08578	0.6
97.06548	0.8
98.06056	3.2
98.09696	23.4
98.97588	100.0
99.04442	0.6
99.08101	15.0
102.09184	0.6
103.72238	0.4
104.31844	0.4
112.07616	3.2
115.04098	0.5
115.52598	0.4
116.07095	1.3
116.10715	4.6
116.97235	1.9
116.98626	49.8
122.06003	0.5
128.10721	6.3
130.06528	3.2
131.18143	0.4
134.99667	15.5
135.03088	0.5
140.00151	2.2
140.07063	2.0
140.10724	2.3
140.14342	1.8
149.87872	0.4
152.96986	0.6
153.00676	1.2
158.01248	1.7
158.06023	4.0
158.08131	5.9
158.09644	3.7
158.11778	17.2
158.15413	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01870	2.6
55.05500	3.2
56.96571	7.2
57.03429	5.6
59.04973	1.0
61.02921	6.6
67.05480	1.0
67.50373	1.0
68.00259	1.7
68.05016	1.8
69.03429	2.8
69.30673	6.4
69.31099	2.3
70.99860	1.9
71.02977	1.2
71.05000	15.4
73.02939	1.2
74.09719	8.3
77.00797	1.5
78.52970	3.3
82.01442	6.6
82.05305	3.0
82.99844	3.3
83.04961	4.4
83.06102	7.9
85.01407	1.2
86.52689	1.1
87.01905	1.0
88.01804	4.5
89.00786	6.0
92.52692	3.2
93.04538	6.2
94.02722	1.0
95.01320	2.1
95.06106	7.0
96.96915	1.5
97.01756	1.7
97.02340	25.5
97.52424	1.0
98.01298	2.6
98.09700	46.8
98.97590	12.5
100.02502	12.2
101.00890	26.1
101.02552	2.0
101.06042	2.3
103.01331	1.3
103.02368	3.3
106.02863	23.0
109.02356	5.0
110.04022	1.2
110.07172	100.0
111.08131	1.2
112.03915	1.0
112.05272	3.9
112.07598	1.8
112.99142	12.4
113.00861	1.6
113.02406	1.9
114.04063	3.0
115.02434	6.2
115.03371	8.9
116.03941	1.2
116.98636	3.5
117.53661	1.4
118.02844	12.3
118.03636	3.0
119.01929	41.4
120.02036	2.2
123.03899	2.8
124.02475	3.7
127.00695	4.1
127.02456	1.6
127.03339	11.0
128.93472	1.1
129.03900	1.9
130.06310	8.9
131.00214	7.2
131.01886	2.3
132.01984	1.0
132.04367	5.6
132.05217	1.3
133.02567	1.6
133.03485	13.3
134.99750	1.2
137.02951	7.4
138.04369	1.8
138.05482	2.0
141.04967	3.0
142.03503	23.9
143.01871	1.3
145.01718	5.2
145.03444	1.4
147.04941	4.4
149.01218	1.5
151.04539	2.7
156.04213	55.3
156.05305	4.4
156.06445	1.9
156.07640	13.3
156.10205	7.1
156.13835	12.1
157.01688	1.9
159.05002	2.0
160.04582	4.2
162.95921	1.2
163.02875	1.2
168.01477	1.5
168.99835	2.3
172.99292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
52.80267	0.5
71.12518	0.9
72.71536	0.5
74.09724	15.0
84.75422	0.5
96.96913	3.6
99.45670	0.5
112.05267	9.0
113.33647	0.5
130.06316	13.9
156.04221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01870	2.6
55.05500	3.2
56.96571	7.2
57.03429	5.6
59.04973	1.0
61.02921	6.6
67.05480	1.0
67.50373	1.0
68.00259	1.7
68.05016	1.8
69.03429	2.8
69.30673	6.4
69.31099	2.3
70.99860	1.9
71.02977	1.2
71.05000	15.4
73.02939	1.2
74.09719	8.3
77.00797	1.5
78.52970	3.3
82.01442	6.6
82.05305	3.0
82.99844	3.3
83.04961	4.4
83.06102	7.9
85.01407	1.2
86.52689	1.1
87.01905	1.0
88.01804	4.5
89.00786	6.0
92.52692	3.2
93.04538	6.2
94.02722	1.0
95.01320	2.1
95.06106	7.0
96.96915	1.5
97.01756	1.7
97.02340	25.5
97.52424	1.0
98.01298	2.6
98.09700	46.8
98.97590	12.5
100.02502	12.2
101.00890	26.1
101.02552	2.0
101.06042	2.3
103.01331	1.3
103.02368	3.3
106.02863	23.0
109.02356	5.0
110.04022	1.2
110.07172	100.0
111.08131	1.2
112.03915	1.0
112.05272	3.9
112.07598	1.8
112.99142	12.4
113.00861	1.6
113.02406	1.9
114.04063	3.0
115.02434	6.2
115.03371	8.9
116.03941	1.2
116.98636	3.5
117.53661	1.4
118.02844	12.3
118.03636	3.0
119.01929	41.4
120.02036	2.2
123.03899	2.8
124.02475	3.7
127.00695	4.1
127.02456	1.6
127.03339	11.0
128.93472	1.1
129.03900	1.9
130.06310	8.9
131.00214	7.2
131.01886	2.3
132.01984	1.0
132.04367	5.6
132.05217	1.3
133.02567	1.6
133.03485	13.3
134.99750	1.2
137.02951	7.4
138.04369	1.8
138.05482	2.0
141.04967	3.0
142.03503	23.9
143.01871	1.3
145.01718	5.2
145.03444	1.4
147.04941	4.4
149.01218	1.5
151.04539	2.7
156.04213	55.3
156.05305	4.4
156.06445	1.9
156.07640	13.3
156.10205	7.1
156.13835	12.1
157.01688	1.9
159.05002	2.0
160.04582	4.2
162.95921	1.2
163.02875	1.2
168.01477	1.5
168.99835	2.3
172.99292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03930	1.9
55.01867	3.6
55.05510	7.3
56.96572	7.5
57.03430	3.3
57.07061	5.2
59.05002	8.5
65.03930	1.9
67.05508	46.5
69.03430	3.3
69.07073	33.1
70.06589	1.8
70.18269	4.4
71.01352	4.6
71.04997	15.2
71.95255	1.7
72.93792	100.0
73.02923	1.7
73.07661	1.3
79.05508	7.1
81.07057	15.7
82.06620	1.5
83.04979	5.8
83.08600	3.0
85.02901	2.1
85.06551	3.5
85.10178	4.1
86.52660	2.6
87.04468	3.1
90.94830	25.0
91.05469	3.8
93.07035	5.3
93.25417	1.4
94.06513	1.4
95.04972	9.7
95.08610	28.1
97.06533	33.5
98.09695	29.4
99.04443	5.1
100.94404	1.5
107.08589	1.9
108.95869	2.7
109.06543	7.5
109.10153	35.6
111.02094	2.5
111.04442	5.1
111.08061	2.1
112.01023	3.0
113.06015	3.4
113.09676	9.1
113.96407	80.5
121.01527	5.5
123.51857	1.8
127.03864	3.7
127.07546	3.5
128.07108	1.5
131.97441	38.2
131.98376	2.5
132.52400	1.7
137.05980	3.0
137.09625	41.9
138.01869	2.0
142.03465	2.4
143.27594	1.4
149.97345	1.5
150.96950	1.6
154.99088	7.6
155.03381	2.9
155.07027	12.4
155.08537	9.1
155.10661	21.0
155.14279	7.3
155.15398	1.9
156.13853	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01861	0.3
55.05271	0.2
55.05514	3.6
56.05029	0.6
56.96573	1.5
57.03434	0.4
57.07078	1.4
58.06590	0.3
59.04992	0.3
64.23184	0.1
66.23671	0.1
67.05503	1.4
68.05026	0.4
68.05830	0.2
69.03413	0.7
69.07056	0.5
70.06612	0.9
71.04987	0.9
71.52436	0.2
71.94117	0.3
71.95266	1.0
72.05293	0.2
72.93793	1.7
73.02925	0.2
74.70377	0.2
79.05492	1.7
79.96695	0.2
80.05006	0.3
80.05812	0.5
81.03421	0.3
81.07059	6.2
82.06590	1.0
82.07403	1.0
83.04971	0.5
83.07364	0.4
83.08176	0.2
83.08606	1.2
84.04536	0.3
84.05322	0.2
84.08150	0.3
85.02879	0.2
85.06541	0.4
87.04471	0.8
90.94830	0.6
91.05485	1.1
92.05843	0.2
93.05767	0.5
93.07033	0.4
94.06559	0.5
94.07375	0.5
95.04972	2.1
95.08612	0.8
96.04458	0.2
96.04668	0.2
96.05305	2.5
96.08131	0.5
96.08992	0.2
96.41189	0.2
97.02880	0.4
97.05273	2.1
97.06520	0.4
98.06055	2.3
98.09707	1.6
98.97598	0.8
99.04423	0.2
99.97899	0.2
101.00727	0.2
101.06008	0.2
107.08588	0.2
108.04447	0.2
108.05645	0.3
108.08119	3.0
108.08934	0.7
109.02869	0.3
109.06519	4.5
109.10148	0.8
110.01259	0.4
110.06036	3.0
110.06856	1.2
111.04487	0.4
111.06837	2.2
111.08073	0.3
112.07652	0.3
112.08415	0.8
112.88995	0.2
112.96679	0.3
113.05933	0.2
113.09644	0.2
113.96418	1.3
115.52085	0.3
116.98630	0.3
118.06562	0.2
119.04928	0.4
121.52031	0.2
122.06046	0.2
124.07596	0.5
124.99120	0.3
125.08376	0.6
126.05485	0.5
126.06342	0.3
126.08307	0.3
126.09158	2.9
126.10015	0.3
127.03942	0.2
128.98671	0.2
130.96286	0.3
131.00209	0.3
131.97462	0.9
136.03928	0.6
136.07568	2.5
136.08444	0.3
136.11995	0.4
137.05986	1.6
138.05486	0.4
139.06296	3.9
139.07397	0.3
140.98651	0.2
143.00163	0.8
144.00493	0.5
148.97348	0.4
152.07074	0.3
154.05209	1.8
154.08635	100.0
155.07019	0.5
155.08971	1.3
155.14238	0.2
158.99699	0.3
161.01271	0.6
170.18719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03954	3.8
54.54261	1.5
55.05514	13.6
56.96552	2.3
57.07072	2.1
59.04996	6.0
64.65341	1.8
67.05503	6.0
68.99791	1.8
69.03437	1.9
69.07075	10.0
69.59859	9.9
69.60267	3.3
70.94228	2.5
71.05000	41.6
73.06561	23.3
79.05498	22.9
81.07061	100.0
83.05005	4.9
83.08636	2.0
89.95901	1.7
91.05469	7.9
93.03414	2.8
93.07046	45.8
94.49432	1.7
95.04956	2.0
95.08613	8.9
95.52663	1.9
96.02911	1.5
97.06520	8.8
98.21460	3.4
105.06999	1.8
107.08591	40.5
109.10168	7.6
111.04453	3.9
111.08105	3.9
122.19704	1.8
125.05993	2.8
135.08032	1.9
135.11696	30.9
147.73294	1.9
153.01860	2.6
153.09192	3.0
153.12758	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00303	2.4
53.03936	3.9
55.05514	16.4
56.96564	3.8
57.07068	2.1
59.05003	7.2
65.03939	11.7
67.05512	9.9
69.03423	6.7
69.07077	12.9
69.44615	10.7
70.94252	4.8
71.05003	35.7
73.06563	20.8
79.05072	2.3
79.05501	30.4
81.07063	100.0
83.04995	8.3
83.08647	2.2
91.05491	9.4
92.50963	1.3
93.03425	9.1
93.07051	46.4
95.04988	20.0
95.08617	13.6
97.06538	11.6
105.07052	3.5
107.04967	4.8
107.08601	45.0
109.06519	4.3
109.10180	11.3
111.04475	13.9
111.08091	6.7
111.96868	3.6
123.72929	1.3
125.05995	8.5
125.09615	3.4
129.97960	2.2
135.04442	2.2
135.08075	4.5
135.11702	35.4
136.03957	3.0
136.07585	2.1
153.01852	4.6
153.05487	6.1
153.09119	3.3
153.12775	23.1
157.27440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03951	1.7
55.01864	0.7
55.05513	6.3
56.96564	0.5
57.03437	2.0
57.07069	1.4
58.34901	0.5
59.05005	1.1
61.82104	0.5
65.03942	4.2
67.05511	10.7
69.03433	1.8
69.07076	8.4
69.45262	1.2
69.45671	2.2
71.05000	2.6
77.03926	0.5
79.05499	9.1
81.03389	0.6
81.07063	12.7
83.04986	9.8
83.08614	3.1
91.05487	6.7
93.03429	4.4
93.07051	67.1
94.07397	0.7
95.04963	2.3
95.08614	57.7
96.08932	0.7
97.06544	10.2
98.21536	0.9
105.04485	0.6
105.07043	2.8
107.08603	100.0
108.08945	1.2
109.06521	1.6
109.10166	12.7
110.03653	0.5
111.04451	3.4
111.08079	2.0
111.96904	0.6
116.21233	0.5
125.05999	2.9
135.11702	44.1
136.03955	0.7
136.12102	0.8
148.83719	0.5
153.01836	0.5
153.05470	2.3
153.09137	0.9
153.11513	1.1
153.12759	19.6
164.46428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.07821	1.8
51.79171	1.8
53.00302	2.0
53.03939	5.2
55.05269	3.0
55.05514	40.3
55.17340	1.7
59.04998	5.1
65.03934	4.4
67.05500	7.3
69.03436	2.6
69.07066	10.2
70.70549	4.8
71.04993	47.1
73.06553	23.5
73.26112	1.8
73.45707	1.6
79.05067	2.6
79.05495	26.6
79.13142	1.6
81.07059	100.0
83.04986	67.2
83.08624	3.5
86.26525	1.7
91.05478	9.4
93.03397	5.4
93.07045	44.6
95.04977	5.3
95.08619	10.0
95.09109	1.8
97.06536	11.9
99.01015	1.9
105.07022	2.5
107.04955	2.2
107.08595	43.3
109.06472	2.9
109.10152	9.7
111.04451	4.9
111.08060	5.2
111.96915	1.7
112.57843	1.7
121.02888	11.0
135.11702	32.8
153.05496	4.5
153.12744	26.5
161.56036	1.9
163.39079	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03941	1.9
55.01866	3.0
55.05510	9.8
56.96568	8.4
57.03447	5.4
57.07083	1.9
59.04996	1.6
65.03947	6.7
65.36801	0.9
67.05510	25.4
69.03442	7.2
69.03753	1.4
69.07071	43.8
70.94257	4.1
70.95863	3.3
71.05000	3.7
71.53310	1.4
71.94102	1.1
71.95256	4.4
79.05496	23.9
81.07062	32.4
82.06594	1.1
83.04984	13.5
83.08629	5.3
85.02922	1.4
85.06539	1.4
87.04465	1.6
88.95306	1.8
91.05482	5.4
93.03397	6.6
93.07047	39.8
95.04973	4.2
95.08620	15.1
97.06541	20.0
99.04479	1.6
100.51563	1.0
107.04956	5.0
107.08600	42.2
108.04462	1.1
109.06516	2.6
109.10162	29.1
110.01305	1.3
111.04460	14.8
111.08093	7.1
111.96873	3.4
119.01821	1.6
120.51307	1.0
121.02864	1.2
124.08708	1.0
125.06017	9.5
125.06943	1.5
125.09620	1.8
129.97881	1.8
134.06068	1.5
135.04405	1.4
135.05452	1.0
135.08090	1.6
135.11697	91.2
136.03951	9.7
136.07545	1.6
137.05951	1.8
138.05070	1.2
140.98659	1.0
141.04082	1.0
152.99489	1.3
153.05545	7.7
153.06459	1.3
153.07643	5.3
153.09204	5.4
153.12753	100.0
154.04973	2.7
154.08662	2.1
154.13034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00314	1.3
53.03938	3.6
55.01863	1.2
55.05515	13.0
57.03426	1.8
57.07086	2.4
59.05007	7.0
61.94619	1.0
65.03949	2.1
67.05497	5.5
69.03415	1.1
69.07072	13.3
70.69788	1.2
70.70107	2.0
70.76701	0.9
71.04606	1.9
71.05000	43.2
73.06561	23.9
79.05495	24.6
81.07062	100.0
83.04980	2.6
83.08627	3.2
85.06545	1.3
91.05485	7.3
93.03360	1.7
93.07048	46.2
93.66774	1.0
95.04965	2.4
95.08623	10.0
97.06537	8.5
98.65243	1.0
105.07034	2.2
105.35439	1.0
107.08598	37.3
109.10167	7.8
111.08083	4.2
119.08568	2.4
130.32082	1.0
135.11700	35.9
137.09685	1.3
153.05429	1.5
153.12749	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00304	1.2
53.03937	1.8
55.01871	3.3
55.05516	18.3
56.96556	3.5
57.03427	2.3
57.07075	1.9
59.05003	6.6
65.03944	10.5
67.01870	1.9
67.05508	10.3
68.99799	3.5
69.03432	9.0
69.07072	15.8
70.08984	1.5
70.41563	1.3
70.84943	3.1
70.94263	4.8
70.95871	1.4
71.04996	38.8
71.95261	1.6
73.06558	22.5
77.18144	1.3
77.29210	1.3
79.05074	2.5
79.05496	31.9
81.03425	1.6
81.07059	100.0
83.04980	12.9
83.08599	2.2
85.06543	1.5
91.05476	10.8
93.03406	12.9
93.07050	51.4
95.04976	12.9
95.08610	13.0
97.02901	2.2
97.06535	14.8
105.07036	4.1
107.04950	5.3
107.08598	48.4
109.06509	3.6
109.10155	14.8
111.04446	18.3
111.08082	12.6
111.96857	4.6
119.01830	1.5
119.08536	2.0
123.08072	1.8
125.05997	8.8
125.09633	3.6
129.97911	3.2
135.04385	2.8
135.08063	4.0
135.11693	35.5
136.03973	4.7
136.07603	1.4
153.01859	11.8
153.05510	7.5
153.09111	7.6
153.10181	2.4
153.12753	24.9
154.04962	2.1
171.03055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44445	0.2
53.00291	0.2
53.03957	0.5
54.47127	0.2
55.01872	1.1
55.05270	0.3
55.05516	3.7
56.96572	2.4
57.03450	1.5
57.07067	0.5
59.04987	0.6
61.02927	0.5
65.03942	3.3
67.05510	4.7
69.03429	2.0
69.07061	1.8
70.94249	1.0
70.95859	0.4
71.01329	0.3
71.04999	3.4
71.19003	0.4
71.95258	0.4
73.02934	1.0
73.06555	1.9
79.05496	4.3
81.01030	0.2
81.03424	1.1
81.07059	9.1
82.06635	0.2
83.04989	4.2
83.08611	0.3
84.96024	0.3
85.02898	1.4
85.06555	0.2
87.04476	0.2
88.95316	0.2
90.50822	0.2
91.05473	1.8
93.03420	2.1
93.06480	0.4
93.07050	5.5
95.04973	100.0
95.08590	1.4
96.01576	0.2
96.05309	0.9
97.02879	1.3
97.06539	3.0
98.09680	0.2
98.21535	0.2
98.97594	5.0
99.04464	0.5
100.01799	0.3
102.01553	0.8
105.07039	0.8
107.01761	0.2
107.04964	1.3
107.08601	6.9
109.02283	0.4
109.06525	7.2
109.10162	1.5
110.01309	0.4
110.03646	0.4
110.97556	1.3
111.04449	2.9
111.06924	0.4
111.08078	5.7
111.96889	0.6
115.05433	0.2
116.98624	1.5
117.02071	0.3
117.07027	0.7
119.01814	0.6
123.02106	0.2
123.08037	0.3
124.99123	3.4
125.06020	1.8
125.09645	0.9
126.09165	0.2
128.02307	0.3
128.98633	1.3
129.97977	0.3
131.00078	0.2
132.02579	0.3
134.99611	0.3
135.04420	1.0
135.08073	2.1
135.11691	2.5
136.03944	0.8
136.07573	0.4
139.06290	0.4
140.98622	0.4
143.00159	5.0
146.99677	0.4
153.01929	0.7
153.05487	1.8
153.06560	0.4
153.09131	4.1
153.10289	0.3
153.12773	2.8
153.13889	0.3
154.04991	0.3
154.08635	7.2
154.09833	0.4
154.70100	0.2
158.99716	0.7
161.01224	3.2
165.26089	0.2
166.01813	0.3
173.01213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
53.03940	0.9
55.01862	1.8
55.05517	4.3
56.96565	2.3
57.03445	1.6
59.04994	0.6
62.00462	0.5
65.03943	67.7
67.05517	3.3
69.03456	2.5
69.07066	2.2
70.71044	0.7
70.71380	1.1
70.94258	1.9
70.95883	0.7
71.02396	0.6
71.04999	2.0
73.06554	0.7
79.05491	5.8
81.03419	3.5
81.07060	5.1
83.04977	7.1
88.66584	0.6
90.53040	0.5
91.05479	2.9
91.05943	0.6
92.88953	0.5
93.03410	75.4
93.07047	6.7
94.03712	0.7
95.04964	14.4
95.08604	2.8
97.06534	4.2
99.53447	1.2
105.07039	0.9
107.04957	2.7
107.08590	9.9
109.04148	0.9
109.06512	4.5
109.10169	2.9
110.01236	0.8
110.03662	10.3
111.04446	100.0
111.08071	4.8
111.96874	1.3
112.04790	0.9
119.74358	0.5
123.42070	0.5
125.05997	66.4
125.09615	1.6
126.06353	1.0
129.97899	1.1
134.06006	2.2
135.04442	0.9
135.08049	3.5
135.11665	2.6
136.03929	1.4
153.01944	1.2
153.05473	29.1
153.06543	1.2
153.09082	3.6
153.10223	0.8
153.12766	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	152.0565
Annotation	guanine
Peak:m/z	Relative Intensity
55.01867	0.7
55.02994	0.5
55.05505	0.8
56.05042	2.2
56.96557	1.4
57.03443	2.0
58.99831	0.6
59.05007	0.5
61.02929	0.5
63.00714	1.1
69.03422	1.1
69.37187	2.0
69.37591	0.9
70.99847	0.5
71.04980	1.1
73.02898	0.5
81.03401	0.5
82.01450	2.3
83.01533	0.4
83.04967	0.4
84.08136	0.5
85.01447	0.9
85.02895	1.1
88.80322	0.4
89.03461	1.1
93.01897	0.8
94.02662	0.4
97.02901	1.4
98.04008	0.6
98.97592	0.8
99.01973	0.7
100.02499	4.3
101.00919	2.0
102.02398	0.7
103.02450	0.8
103.66846	0.4
106.04927	1.9
107.03445	0.5
108.02509	0.9
109.00524	0.4
109.05132	1.7
110.01298	0.7
110.03535	12.6
110.97535	0.7
111.02943	4.9
113.00873	0.4
115.02449	2.0
117.03124	0.5
117.04000	1.3
118.03520	1.2
119.01920	2.1
123.02871	0.4
128.04608	3.0
129.03990	26.0
130.04089	0.7
131.01933	0.4
131.04521	0.6
133.03461	1.6
134.04648	1.2
134.06052	0.8
135.03029	14.0
135.05042	1.2
140.05006	1.8
140.55026	0.5
143.01912	1.1
144.58258	0.4
147.01402	0.6
147.05032	16.4
147.06215	0.8
148.05276	0.4
152.05685	100.0
153.04089	15.4
153.05330	0.8
153.05988	0.6
159.05087	1.2
161.02972	1.2
170.06686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
51.94117	0.6
53.03944	5.3
55.01874	1.1
55.05514	100.0
56.96571	3.3
57.03443	1.9
57.07079	2.0
57.97617	0.6
59.05009	3.4
63.00036	0.7
65.03957	1.6
67.05508	20.6
68.95295	2.0
69.03436	1.9
69.07069	4.0
71.33459	0.7
75.55408	0.6
79.05499	10.1
81.03455	1.5
81.07058	36.2
83.04979	1.3
86.79374	0.7
89.06011	0.8
89.46636	0.8
91.05486	16.7
93.07050	11.7
95.04973	13.9
95.08606	8.8
97.06534	18.3
98.01289	0.8
98.47118	0.7
98.97581	1.6
103.05468	0.9
105.07036	18.1
107.08599	16.9
107.47641	2.2
108.05739	0.6
109.06522	14.2
109.10162	29.5
110.01301	2.9
110.07306	1.2
116.48176	0.7
118.99556	0.6
119.01842	2.7
119.04974	2.9
121.10165	1.9
123.04438	1.4
123.08078	6.1
123.11707	14.0
128.02309	2.1
131.08600	0.7
133.06525	4.9
133.10141	7.2
151.03976	4.1
151.05008	1.2
151.07570	9.6
151.11185	27.7
152.05826	0.7
152.07039	0.9
152.11693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
52.84050	0.6
53.03944	0.9
55.01877	1.6
55.05510	7.1
56.90581	0.6
56.96565	5.7
57.03435	2.4
57.07078	1.8
61.02925	0.9
61.83945	0.7
65.03941	1.5
67.05505	86.5
68.95299	1.4
69.03436	1.7
69.07069	4.5
70.85692	1.5
70.86033	0.8
71.05005	0.9
71.08633	0.9
73.02920	1.8
79.05492	9.5
81.00999	0.8
81.03411	2.3
81.07057	53.5
82.07401	0.6
83.00780	1.2
83.04987	3.0
83.08626	1.7
85.02914	0.8
89.06023	1.0
91.05486	9.0
93.07054	10.2
95.04966	4.1
95.08609	100.0
96.97222	0.6
98.01318	0.8
98.97601	3.6
101.00777	2.3
105.07040	10.6
107.03210	0.7
107.08596	10.8
107.47656	1.1
108.50574	0.6
109.06524	4.3
109.10160	57.3
109.52115	0.8
110.01290	2.9
110.10461	0.9
110.97551	1.1
116.48154	1.9
116.98643	1.5
119.01791	5.2
119.04967	0.7
121.52044	1.3
123.04436	1.3
123.08064	2.2
123.11716	2.8
128.02333	3.9
128.98613	1.0
130.52556	2.2
133.02846	0.6
133.06488	0.8
133.10141	9.8
139.53093	1.5
142.14435	0.6
146.99609	0.9
151.02820	1.2
151.03882	3.0
151.06250	0.7
151.07526	4.2
151.08595	1.3
151.11180	17.4
151.14809	11.5
152.07085	2.3
154.90816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03934	3.4
55.01865	3.2
55.05510	14.7
56.96563	1.8
57.03445	9.0
57.07055	1.7
59.04977	1.5
60.08808	1.4
65.03936	5.2
65.17200	1.3
65.61355	1.7
67.05508	65.0
69.03442	9.4
69.07057	5.4
69.69086	3.9
69.69497	4.3
71.04974	2.6
79.05495	42.4
81.03424	2.6
81.07056	69.7
83.04977	28.6
85.06533	1.9
85.33567	1.5
90.77253	1.4
91.05482	51.9
91.35139	1.5
91.69810	1.5
93.06490	3.2
93.07048	49.7
95.04970	16.9
95.08611	19.3
97.06516	2.8
98.21498	2.6
105.06311	3.0
105.07036	67.5
107.08594	83.8
108.08920	2.2
109.06529	21.1
109.10164	33.7
118.28083	1.4
119.04891	1.8
123.08122	8.5
123.11709	11.5
124.15204	1.5
131.08598	3.8
133.10133	73.5
134.10463	2.1
151.02876	3.5
151.03932	5.3
151.07559	5.1
151.08669	4.4
151.11189	100.0
152.03323	1.7
152.07118	1.6
155.00632	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
50.21596	1.1
53.03935	3.6
55.01864	5.1
55.05518	14.8
56.96312	1.2
56.96568	20.0
57.03442	13.2
61.02924	3.8
65.03929	4.0
67.05509	61.2
67.44133	1.0
68.05834	1.2
68.45316	2.1
68.95283	9.1
69.03436	14.1
69.07073	6.5
69.21188	2.5
69.21609	9.0
71.04981	3.8
73.02911	4.9
74.00268	1.3
75.01015	1.1
79.05496	44.3
81.01017	1.7
81.03410	5.4
81.07060	70.0
83.00776	1.4
83.04990	23.3
85.02906	3.6
85.06531	2.1
89.00761	1.6
89.06046	1.5
89.46586	2.3
90.01568	1.2
91.05487	64.7
92.00269	1.5
92.51797	1.7
93.07049	52.1
94.65891	1.2
95.04967	18.5
95.08609	19.8
95.54647	1.0
96.01546	3.0
97.02870	1.9
97.06533	2.8
97.96807	1.4
97.99174	2.2
98.01289	4.9
98.02590	1.5
98.47137	1.6
98.97599	16.7
99.02007	1.5
101.00756	5.3
104.01279	2.8
105.03370	1.7
105.04559	1.5
105.07037	73.6
106.06572	2.5
106.51588	1.5
107.01804	2.2
107.04937	2.7
107.08602	72.3
107.47645	10.5
108.02492	1.6
108.08948	1.6
109.02850	1.8
109.06524	20.0
109.10168	34.2
110.01286	17.2
110.52749	1.3
110.97588	2.2
115.52038	1.6
116.03114	1.7
116.48154	7.3
116.98637	6.2
118.98396	1.5
119.01817	18.3
119.05048	2.3
119.06023	1.9
121.52094	3.6
123.04420	3.3
123.08068	11.2
123.11715	14.5
125.48669	1.6
128.02327	15.7
128.98618	2.7
130.52632	5.8
131.08537	3.4
133.02812	1.3
133.06512	2.4
133.10141	71.8
134.06065	1.5
134.99577	1.9
137.02817	2.0
139.53102	4.3
140.00262	2.7
146.99684	1.2
151.02896	2.3
151.03906	7.5
151.05923	2.6
151.07544	11.7
151.08658	4.8
151.11192	100.0
152.03423	1.5
152.05817	1.4
152.07076	3.0
154.90712	1.9
158.01178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02366	0.4
53.03948	1.2
55.01870	0.8
55.05497	0.5
56.72829	0.3
56.96569	3.8
57.03436	0.7
61.02910	0.5
65.03941	4.5
67.05506	2.3
68.87552	0.3
68.95302	0.6
69.03429	0.6
69.07105	0.3
70.06577	0.4
70.79939	0.8
71.05013	0.5
71.22734	0.4
73.02905	0.9
74.97605	0.4
79.05495	2.4
80.06284	0.9
81.01069	0.4
81.03429	0.9
81.07064	3.2
83.00833	0.4
85.02911	0.9
89.00768	0.5
89.06049	0.3
90.01561	0.4
91.05486	100.0
92.05818	1.2
93.07050	1.6
95.00787	0.5
95.04977	9.4
95.08613	1.9
96.01534	0.4
96.08152	0.3
97.02895	0.8
98.01343	0.6
98.47102	0.6
98.97590	2.3
101.00767	1.3
101.14743	0.3
103.02455	0.5
103.05470	0.9
105.07035	2.9
107.02554	0.4
107.04984	1.0
107.08591	2.1
107.47653	0.5
108.02101	0.3
108.05767	1.7
109.02884	0.4
109.06509	1.6
109.10181	1.1
110.01260	1.8
110.97596	0.9
116.48134	0.5
116.98634	0.7
119.01816	4.2
119.04948	55.7
120.05290	0.4
121.06514	0.3
123.04449	1.2
123.08063	3.4
123.11729	1.2
124.07645	0.4
128.02312	2.7
128.88512	0.3
128.98619	0.4
130.04668	0.4
132.95866	0.4
133.02838	0.6
133.06436	0.8
133.07487	0.5
133.10150	0.8
136.05206	10.6
137.02840	0.9
137.05008	0.6
137.05983	4.4
138.20746	0.3
139.04156	0.4
140.98540	0.3
151.02838	0.7
151.03929	4.4
151.07552	66.4
151.11069	2.3
152.05766	0.4
152.06885	0.6
152.07933	0.9
162.37344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03945	3.1
55.01873	4.9
55.05515	15.0
56.96567	0.9
57.03438	9.5
57.07077	1.7
57.16666	0.8
57.71731	0.8
59.04984	0.8
61.56710	0.6
65.03943	3.2
67.05508	72.3
69.03434	12.9
69.07073	6.3
70.88280	1.0
70.88598	1.0
71.04994	4.3
77.03899	0.7
79.05497	46.4
81.03410	2.3
81.07062	68.4
83.04490	1.7
83.04984	29.9
85.06548	2.0
89.29982	0.7
91.05486	52.3
93.07050	53.8
95.04980	17.9
95.08614	13.3
97.06528	3.2
102.71717	0.7
105.07036	72.7
106.07351	1.3
107.08599	86.4
108.08917	0.9
108.44411	0.9
109.06520	22.7
109.10159	36.9
110.01347	0.9
119.01804	0.9
119.06065	1.3
121.10081	0.8
123.08118	5.3
123.11718	11.3
127.07505	1.2
128.02287	1.0
131.08580	3.8
133.10138	78.3
134.10515	0.9
151.01651	0.7
151.02806	1.4
151.03915	0.9
151.07661	3.7
151.11191	100.0
152.11584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	5.2
54.23973	2.0
54.73651	2.1
55.05508	8.4
64.90686	2.2
65.03942	34.7
67.05504	15.8
69.07071	19.1
71.35295	1.9
71.53932	2.7
73.17930	2.0
79.05503	34.8
81.07061	57.6
83.08636	3.2
83.24065	2.0
91.05492	15.9
93.03396	5.3
93.07050	94.1
95.04980	4.0
95.08603	8.7
105.07037	9.4
107.08597	63.0
108.04491	5.3
111.04456	5.8
119.06117	2.4
121.02863	42.9
121.03968	10.7
121.10155	23.6
126.05591	2.3
149.02348	100.0
149.06012	3.0
149.07091	3.3
149.09631	9.0
149.13272	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0552
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03938	2.7
55.01842	0.7
55.05500	1.8
56.05035	3.3
56.96568	22.6
57.03428	2.2
58.99743	0.9
59.04988	1.7
59.58626	0.6
61.01144	2.5
65.03939	4.2
66.04285	0.8
67.05507	16.3
68.00266	2.4
70.10078	1.8
71.04978	2.3
72.93787	1.4
73.02918	0.9
74.02419	0.6
74.97599	1.8
77.00782	2.8
78.10600	0.7
79.01273	1.1
79.05489	3.0
79.51043	2.5
81.03450	1.4
82.01817	1.1
83.00817	0.6
83.04967	3.0
84.01582	0.7
84.04498	1.5
84.96062	0.6
85.02881	1.0
86.97603	0.8
88.01813	11.2
88.51073	0.5
88.51554	3.8
89.00784	0.5
90.94801	0.7
91.02361	0.7
91.05490	8.9
93.05788	1.2
93.52629	1.0
94.06571	52.3
95.04965	2.6
96.01591	1.0
96.04480	0.8
97.02335	70.9
97.52516	3.8
97.99177	1.3
98.01296	0.9
98.97590	11.2
99.52577	1.0
101.00806	0.9
102.05484	0.7
102.53132	1.1
103.05499	0.9
103.06265	0.5
104.05311	1.9
105.07076	0.9
106.02855	69.6
106.06560	13.9
106.53041	3.7
108.04514	0.7
108.53118	7.7
110.01278	1.2
115.00688	3.4
115.03371	24.1
115.53535	1.5
116.00193	0.8
116.98652	3.1
117.53644	11.5
118.03796	1.1
119.01804	2.3
119.04930	5.2
122.03214	1.5
122.06034	35.5
123.07983	1.2
126.54159	3.4
126.59497	1.2
127.00707	1.4
127.07047	1.8
128.02339	2.3
128.98608	0.7
131.00133	0.6
133.01743	0.8
133.03218	1.0
136.05179	0.7
137.05934	0.6
145.01666	0.8
148.03955	1.3
150.02852	5.9
150.05507	100.0
150.09140	3.6
150.12723	1.0
151.03969	0.9
151.07581	4.6
157.01657	0.6
168.06590	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	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03938	5.7
55.05515	14.3
56.96553	2.3
57.07071	3.0
65.03622	2.1
65.03943	24.3
67.05496	7.8
69.06783	1.6
69.07075	16.4
71.11444	2.6
71.11777	2.6
76.12714	1.5
79.05495	44.4
81.07063	30.4
91.05483	26.7
93.03395	5.3
93.07047	100.0
95.04968	3.7
95.08617	7.1
105.04511	2.1
105.07031	10.9
107.04980	2.8
107.08601	76.9
108.04479	4.5
111.04443	3.6
119.06064	2.2
121.02876	37.0
121.03989	11.3
121.06593	2.8
121.10154	28.8
126.05157	3.2
149.02356	95.8
149.05956	3.2
149.09624	6.9
149.13269	46.8
149.56812	1.6
150.02742	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.05505	5.3
65.03941	26.2
67.05510	15.8
69.07068	7.6
71.54980	2.1
74.46803	1.4
79.05502	23.6
81.07060	37.4
83.08616	3.3
91.05488	10.9
93.02899	1.5
93.03402	7.9
93.07040	43.4
95.08610	6.3
97.28253	1.4
98.03683	1.9
103.05479	3.6
105.03381	2.1
105.07001	2.9
107.04951	6.3
107.08600	34.0
108.04493	2.2
111.04464	2.3
112.74202	1.5
121.02866	36.3
121.03986	11.5
121.06487	2.9
121.10140	11.9
147.11636	1.4
149.02348	100.0
149.05931	2.3
149.07088	3.1
149.09636	13.6
149.13269	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03937	2.4
55.01872	3.4
55.05507	6.9
57.07066	6.7
65.03623	1.8
65.03945	27.3
67.05516	3.4
69.07074	18.1
69.33949	6.5
69.34377	8.3
79.05499	20.4
81.07046	6.6
91.05482	22.9
93.03381	7.9
93.06489	2.9
93.07047	42.7
95.04963	2.9
103.05453	4.1
105.07046	30.5
107.08601	90.1
108.04462	3.1
109.06575	2.3
111.04423	3.1
119.06080	2.5
119.08591	7.2
121.02863	37.7
121.03976	10.9
121.06488	3.4
121.10148	54.5
131.08549	2.3
133.07599	2.7
133.10150	3.0
134.10919	3.1
143.76428	1.8
149.02347	100.0
149.05962	5.5
149.07028	2.1
149.09619	5.7
149.13275	32.2
150.02658	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03945	3.7
55.01876	2.3
55.05512	10.6
62.90279	1.8
65.03941	25.4
67.05507	23.3
69.07074	18.1
70.70995	3.0
70.71346	2.9
72.86890	2.2
78.54729	1.8
79.05501	67.5
81.07059	61.8
83.08615	4.0
91.05497	24.8
93.03403	6.7
93.07050	100.0
95.04965	5.3
95.08627	11.1
105.04510	2.3
105.07030	8.3
107.04936	3.4
107.08601	84.2
108.04460	4.1
108.08907	2.2
111.04450	4.8
120.48356	1.8
121.02874	37.0
121.03984	12.1
121.06451	2.1
121.10160	22.5
137.99246	2.0
149.02354	98.7
149.05997	4.1
149.09628	7.5
149.13264	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.81726	1.1
53.03941	2.5
55.01868	2.1
55.05504	3.9
56.05071	1.3
56.96562	1.9
57.07074	2.0
65.03613	1.9
65.03944	28.0
67.05505	2.3
67.22700	1.0
69.03442	1.2
69.07056	4.8
71.30630	1.0
79.05505	11.2
79.56024	1.0
81.07064	4.5
83.08628	1.8
91.05489	16.9
93.03402	7.6
93.06494	1.5
93.07051	21.9
95.04962	1.9
95.08628	1.4
98.03661	1.3
103.05460	5.3
105.07039	22.6
107.08595	37.6
108.04476	3.7
111.04446	2.8
116.06287	2.0
119.08604	7.9
121.02879	38.0
121.03980	11.9
121.06507	7.0
121.10152	68.2
123.08079	3.4
131.04999	2.7
131.08563	5.6
133.07629	2.9
133.10136	1.6
134.10933	1.5
137.42647	1.4
149.02359	100.0
149.05992	5.3
149.07101	3.4
149.09628	27.5
149.10767	2.0
149.13281	17.7
150.02629	1.9
150.09169	1.2
152.90878	1.1
169.03506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03948	3.0
55.01874	2.0
55.05498	4.2
57.07056	2.9
57.20139	1.3
65.03948	14.8
69.07080	3.7
69.69872	1.6
79.05493	11.2
81.07052	2.8
91.05478	13.2
93.03417	3.9
93.07057	17.8
103.05463	3.9
105.07041	32.8
107.08605	35.7
111.04455	3.4
113.76320	1.6
119.06044	1.6
119.08588	11.6
120.09393	1.5
121.02875	25.1
121.03961	7.5
121.06523	3.6
121.10149	100.0
122.10483	1.8
123.08054	2.7
131.08557	2.4
133.07607	3.5
133.10139	15.4
134.10951	11.6
149.02357	68.3
149.06020	2.5
149.09653	7.1
149.13277	33.9
151.02448	3.4
169.03448	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.60379	1.1
52.59042	1.1
53.03947	1.9
55.01865	2.5
55.05509	3.1
65.03942	25.1
66.69444	1.0
67.05503	13.3
69.07081	7.8
69.49087	1.2
69.69001	6.2
79.05501	19.3
81.07062	30.5
83.08617	1.9
88.62764	1.3
91.05494	6.9
93.03395	5.3
93.07047	36.3
93.07641	2.4
95.04967	2.1
95.08617	6.1
98.03694	1.8
105.03388	2.7
105.07027	2.3
107.04956	1.4
107.08601	28.1
108.04490	2.5
111.04446	4.2
121.02870	39.1
121.03979	11.3
121.10154	9.9
122.06039	2.0
126.05513	1.7
128.76869	1.1
132.47522	1.4
149.02347	100.0
149.05972	2.3
149.07077	2.5
149.09625	2.8
149.13260	27.9
150.02654	1.3
150.05493	2.1
150.09070	1.9
169.94731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03953	3.2
55.01859	2.8
55.05504	6.9
65.03951	27.0
66.11005	1.8
67.05511	19.9
69.07073	11.8
69.51167	3.0
69.51576	11.3
70.08260	1.9
79.05501	33.0
81.07060	45.1
83.08627	2.5
91.05494	12.0
93.03398	7.0
93.07048	57.3
95.04969	2.3
95.08617	7.5
99.29598	1.8
105.03409	2.7
105.07030	6.2
107.04974	6.8
107.08604	42.8
108.04480	4.1
111.04460	5.5
117.87606	1.8
121.02876	42.0
121.03986	14.3
121.06510	2.2
121.10138	17.5
149.02359	100.0
149.06009	3.2
149.09634	11.3
149.13266	46.1
150.05508	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	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03939	3.9
55.01870	2.7
55.05508	3.4
58.15296	1.0
61.94592	1.1
65.03618	1.7
65.03944	23.8
65.77591	1.0
67.05502	3.4
69.07066	3.9
79.05502	21.2
81.07064	8.9
91.05485	10.7
93.03419	6.9
93.03909	1.2
93.07049	25.5
95.04966	3.7
95.08617	1.6
98.03671	2.3
103.05480	2.3
105.03410	3.4
105.04517	2.2
105.07027	4.8
107.04963	15.6
107.08591	16.6
108.04482	3.3
111.04456	4.6
120.05735	1.7
121.02873	41.0
121.03981	9.5
121.06485	2.5
121.10139	9.6
131.08568	3.1
149.02353	100.0
149.05981	4.4
149.07092	2.5
149.09631	19.0
149.13251	10.3
150.05528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.98933	0.7
53.03939	2.6
54.15541	0.8
55.01880	6.9
55.05505	3.0
56.96562	2.4
59.24461	0.8
63.75944	0.9
65.03622	1.5
65.03947	29.7
67.05514	5.9
69.03396	1.0
69.07060	2.4
69.64362	5.2
70.31898	0.7
79.05503	16.6
79.78270	0.8
81.03426	6.6
81.07056	5.5
91.05486	13.3
93.03416	7.2
93.07051	27.0
95.04951	2.4
98.03689	1.7
98.21481	2.0
102.82741	1.0
103.05476	2.7
105.07053	7.6
107.04977	4.8
107.07355	1.6
107.08599	17.6
108.04485	3.4
109.06573	1.0
111.04489	4.1
116.03180	1.0
116.06241	1.8
117.05730	1.5
119.08587	1.3
121.02877	41.5
121.03981	12.6
121.06513	5.1
121.10152	13.5
122.09711	1.2
123.08121	0.9
129.07011	1.0
131.04933	3.2
131.08589	7.5
132.08061	0.8
149.02357	100.0
149.06000	4.8
149.07043	1.7
149.09634	76.5
149.13271	6.4
150.02747	1.2
150.05554	1.1
150.09158	2.7
150.10211	0.9
167.03473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	Acetylcholine
Peak:m/z	Relative Intensity
53.07635	0.4
54.67887	0.4
58.06617	0.8
58.07229	0.5
59.16334	0.4
60.05656	1.1
60.08170	43.5
69.03417	0.8
69.30628	3.8
72.08156	3.5
84.04510	3.6
84.08149	3.3
86.06084	3.7
87.04476	100.0
88.04788	0.8
100.07621	0.8
104.07101	0.8
111.05598	0.8
126.91446	0.5
128.08183	0.7
130.05002	1.3
136.26968	0.4
138.91620	0.5
146.09355	3.8
146.11772	47.0
147.12105	0.8
159.56819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02381	1.2
53.03956	2.7
55.01880	1.9
55.05516	1.7
65.03939	6.4
67.05504	1.6
67.53429	1.1
69.03420	3.9
69.07046	1.6
74.55612	1.5
79.05495	14.9
86.29713	1.1
89.03912	2.2
91.05486	44.2
93.07052	26.1
95.04977	1.8
98.20621	2.1
103.05469	6.9
104.30521	1.3
105.04520	1.6
105.07040	33.7
106.07822	3.0
107.04910	2.0
107.08591	7.1
109.06506	2.6
115.05446	4.8
116.06246	16.4
119.08556	5.2
121.02882	10.6
121.03894	2.6
121.06508	14.0
121.10154	38.4
123.08060	3.7
129.07037	5.8
131.04887	2.1
131.08585	22.4
133.06529	2.4
133.07599	3.0
134.07265	3.3
147.08029	3.2
149.02364	28.7
149.06000	2.4
149.09624	100.0
149.13260	3.6
150.09918	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
71.13927	1.2
72.08173	5.7
73.84547	0.6
84.08144	0.8
91.05488	19.7
100.04813	2.2
100.07642	4.2
112.11266	1.3
117.05786	4.4
118.06554	100.0
119.06904	2.3
128.04988	14.0
146.06027	51.0
147.06458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.01859	0.3
61.57032	0.3
64.57401	0.3
69.03435	0.6
69.21891	0.8
69.22303	2.3
71.04980	0.4
72.05314	0.4
72.08159	1.4
82.06587	2.2
91.05486	15.9
100.04796	0.9
100.07622	5.6
104.14702	0.3
105.07035	1.0
108.64931	0.3
112.11296	0.4
117.05768	4.0
118.06548	100.0
119.06875	1.3
119.08575	0.5
128.04282	0.3
128.07098	0.9
135.07855	0.3
146.06023	18.8
146.07971	2.8
146.10452	0.3
147.11720	0.5
155.15674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Cycloheptanecarboxylic acid
Peak:m/z	Relative Intensity
51.89149	5.7
53.19057	6.1
55.05512	14.3
57.07063	12.3
69.03422	6.9
71.04996	100.0
71.29559	7.4
71.29897	6.8
73.06561	18.0
83.04973	11.3
83.08605	7.9
84.08136	20.9
85.06557	33.7
97.02880	6.3
97.10154	13.4
98.06041	5.8
101.88318	7.0
107.08601	31.9
124.67188	5.3
125.02354	13.7
125.09646	23.6
143.03365	19.7
143.10664	7.3
144.08087	7.2
144.13855	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	144.1021
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
52.07988	0.4
57.03424	0.5
69.95875	1.4
70.06594	0.9
71.04995	0.9
79.05482	1.0
80.05021	1.6
81.07063	1.7
82.06591	4.4
83.05006	0.5
84.08147	100.0
85.02908	0.7
85.08474	1.2
97.06523	0.8
98.06045	0.6
98.09704	4.9
99.04420	0.7
103.11433	0.5
108.08127	3.5
109.06510	2.5
126.09156	8.7
144.10204	50.8
155.38367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28176	7.6
53.36312	8.9
70.17065	23.6
70.17480	14.5
82.99863	8.7
84.71442	7.2
101.00890	63.5
106.57193	8.0
119.01931	100.0
123.92831	8.3
124.02425	10.7
137.02968	18.1
142.03535	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96603	4.1
60.27578	3.5
66.85011	3.8
67.64227	3.7
69.89119	19.2
73.54839	4.0
77.13719	4.1
82.99860	7.1
83.00809	4.8
84.08145	4.0
100.97193	3.9
101.00893	61.4
119.01925	100.0
124.02439	9.4
137.02982	17.3
142.03494	44.7
142.12273	7.0
159.42044	3.7
160.04544	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	141.0911
Annotation	4-Vinylcyclohexene diepoxide
Peak:m/z	Relative Intensity
50.54886	0.3
53.03941	0.5
55.01876	21.2
55.05519	1.7
56.96562	1.2
57.03426	0.9
59.95338	0.3
62.27399	0.3
66.97694	0.4
67.05505	3.0
71.04991	1.5
71.10295	0.6
77.38329	0.3
79.05506	1.4
81.03413	0.5
81.07067	6.2
85.02908	1.2
85.06544	1.0
93.07050	0.4
95.04996	0.5
95.08608	6.3
97.06535	100.0
98.06875	1.4
98.97591	1.2
99.08112	0.5
99.97947	0.9
113.02367	0.9
116.98665	0.8
117.98933	0.9
118.24426	0.3
123.08084	2.5
131.24557	0.3
134.99689	0.5
136.00049	0.4
137.93817	0.4
141.01807	0.7
141.05461	0.6
141.09102	3.1
142.08646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05508	3.4
57.07086	19.5
57.43679	2.1
60.58223	2.1
60.76505	2.0
67.05513	20.0
69.07046	4.0
70.65501	5.0
79.05488	4.6
80.11620	2.1
81.06601	2.9
81.07064	57.4
83.06109	4.8
91.05437	2.8
93.07041	5.1
95.08614	100.0
106.81027	2.1
109.10144	9.1
137.02469	12.0
137.10767	6.9
137.13246	25.7
138.12755	2.8
159.33292	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	139.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13639	5.5
51.71268	5.9
53.03947	47.2
55.01866	6.7
55.05508	31.5
56.96574	68.9
57.03419	28.8
59.04986	21.3
61.02906	6.2
63.41533	6.0
64.15595	6.5
67.05489	6.6
69.03438	11.1
69.69898	29.8
70.63966	7.2
70.99860	7.5
71.04998	100.0
71.31596	6.5
74.09725	61.0
75.01899	11.1
79.05511	6.4
80.02882	14.2
80.10477	5.4
81.01917	34.2
82.99844	9.2
83.04996	37.3
84.04482	7.9
85.01429	9.7
88.02672	11.5
89.03459	70.7
89.53513	8.6
90.02405	9.4
93.04497	9.7
94.06564	18.2
95.03461	42.9
95.04990	10.6
97.01398	9.3
97.02911	8.6
98.03989	61.9
98.97597	54.1
100.02605	6.4
101.00889	65.1
101.03444	70.4
101.53495	10.2
102.00952	10.1
102.39358	6.9
103.00639	8.0
103.02460	12.5
103.03179	8.5
104.03969	21.5
109.03173	14.3
109.54748	15.7
110.03997	63.6
110.54089	9.9
111.02930	20.3
111.04450	7.8
115.02440	48.8
115.04987	17.3
116.02478	10.3
116.98614	22.0
117.03999	8.6
119.01935	69.4
119.04453	14.4
120.02111	6.6
120.30107	7.1
121.04025	35.5
122.06042	10.4
122.06830	27.0
123.04541	6.8
124.05537	12.1
129.03995	82.4
130.04100	10.3
131.01901	11.2
133.03465	92.9
134.03595	19.4
137.02948	8.7
139.05026	26.2
139.05925	10.7
140.06862	89.2
141.03957	22.8
143.01868	10.0
145.03453	13.7
147.05051	57.8
148.05104	7.6
151.04515	11.4
153.03960	6.3
159.05051	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03944	1.8
55.05491	0.9
59.17072	0.5
67.05510	19.2
69.03420	1.3
69.07047	0.7
69.35983	4.6
77.68516	0.7
79.05481	2.7
81.07064	8.1
91.05493	10.2
93.07014	3.1
94.04194	4.9
94.07818	1.5
95.04967	1.7
95.08617	6.4
103.05451	1.0
104.06273	0.8
104.88938	0.6
105.04558	0.9
107.04956	10.8
107.08618	1.4
109.06528	2.8
109.10162	27.1
117.07030	1.9
119.04967	1.0
119.08593	12.7
121.06509	5.1
122.03661	8.8
122.07292	65.4
135.08070	3.7
136.62648	0.6
137.02487	1.8
137.05981	18.4
137.09621	100.0
138.09995	1.3
141.60652	0.7
142.11847	0.7
159.18520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03947	0.8
54.03915	0.3
65.03940	0.6
66.04723	3.0
66.25110	0.4
69.92432	1.1
69.92831	0.5
77.03912	0.6
79.05493	2.6
81.07052	1.5
91.05486	2.3
94.04191	27.0
95.04987	0.7
107.04980	1.1
109.06548	0.7
122.03654	47.3
135.04446	0.5
137.05983	100.0
138.06348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03944	1.5
55.05499	1.6
65.03948	1.3
66.04707	1.1
67.05511	19.1
69.03428	0.8
69.07074	1.3
69.14986	2.5
69.15411	3.6
70.69080	0.5
74.69221	0.5
79.05495	4.9
81.07064	10.0
88.26847	0.5
89.31358	0.5
91.04906	0.7
91.05488	11.0
93.07037	3.7
94.04195	5.8
95.04967	1.9
95.08620	7.9
98.21552	1.0
103.05457	1.0
104.06248	0.9
107.04967	10.3
107.08616	1.4
109.06517	2.6
109.10166	28.1
110.10473	0.7
117.07027	1.1
119.07806	1.0
119.08588	11.9
121.06522	5.8
122.03681	8.1
122.07296	70.2
123.07616	0.7
135.08061	3.2
137.02422	0.7
137.05992	24.4
137.09625	100.0
138.09987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67179	0.2
51.81641	0.2
53.25404	0.2
65.63354	0.2
70.44181	0.6
89.08833	0.2
91.05483	3.4
94.04057	2.7
98.21432	0.2
100.02481	0.5
101.00881	0.6
104.09659	0.2
109.05143	0.4
113.00878	0.7
119.01954	1.1
119.03554	8.9
119.04811	0.9
131.01903	1.9
133.03479	0.2
136.02214	1.2
136.06190	100.0
137.04597	3.4
137.06560	0.7
147.22366	0.2
149.02948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96561	0.2
60.69735	0.2
63.91818	0.2
70.35979	0.5
91.05483	0.9
92.02505	0.3
94.04066	2.5
100.20027	0.2
102.90306	0.2
109.05162	0.4
119.03564	7.9
119.04899	0.4
131.01921	0.4
136.06198	100.0
137.04597	2.7
137.06645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.3
53.03960	0.8
53.68123	0.3
55.01868	0.5
64.98235	0.2
65.03950	1.1
66.04727	3.3
67.05513	0.3
69.86625	1.5
77.03932	0.6
79.05495	2.9
81.03407	0.4
81.07052	1.4
86.15405	0.3
91.05477	3.0
94.04193	26.6
95.05014	0.6
98.21464	0.3
98.83394	0.3
105.03410	0.6
107.04978	1.3
109.06528	0.8
110.42711	0.3
118.08728	0.3
122.03659	48.9
123.04012	0.4
135.04408	0.4
137.05986	100.0
138.06329	1.4
141.30991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	6.5
55.05511	11.4
57.07075	2.2
67.05510	22.7
69.07073	6.8
69.79020	5.6
69.79427	2.4
79.05499	74.2
80.05844	1.3
81.07062	28.0
89.03927	2.0
91.05488	24.8
93.07050	100.0
95.04985	7.2
105.04489	1.7
105.07052	6.5
107.04987	4.4
107.08601	67.5
109.06535	1.2
115.05437	2.7
117.06954	2.7
119.08601	2.6
135.04416	5.2
135.08066	5.3
135.11702	77.7
136.02170	4.2
136.06198	6.6
144.05756	1.3
153.48926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.03182	0.8
53.03954	5.1
55.01870	2.2
55.05516	7.9
56.96571	5.0
57.07079	1.4
65.03934	2.3
66.82581	0.9
67.05515	5.8
69.07060	3.9
69.44971	1.8
69.45373	5.4
72.19750	1.0
72.85786	0.9
79.05074	1.8
79.05502	27.7
81.03428	1.5
81.07063	4.8
82.86337	1.0
89.53713	0.9
91.05488	42.8
93.07052	55.1
95.04987	4.8
105.04529	2.5
105.07044	21.3
107.04956	7.9
107.08601	100.0
108.08944	1.6
109.06504	4.5
111.69771	0.9
112.01072	1.3
115.05457	2.7
117.07037	4.3
119.03546	1.1
119.06067	4.3
119.08601	19.0
120.09367	5.6
133.10156	2.1
135.04424	7.6
135.05482	1.9
135.06519	1.8
135.08089	11.8
135.11705	49.6
136.02196	8.0
136.06195	11.0
136.07570	2.8
143.64609	1.0
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	o-Cymol
Peak:m/z	Relative Intensity
53.03935	7.7
53.41220	1.8
55.01865	2.1
55.05515	13.4
57.03441	2.3
61.73594	1.6
64.49931	1.7
65.03961	2.3
67.05509	18.9
69.07056	8.4
69.92751	3.8
69.93143	4.1
76.25633	2.3
79.05022	2.7
79.05495	63.2
81.07065	17.5
91.05485	28.3
93.07052	100.0
95.04963	7.7
98.21515	2.2
105.04518	3.4
105.07045	7.6
107.04960	5.2
107.08598	62.3
117.07016	2.8
119.03558	3.8
119.08590	2.8
120.09395	2.1
127.78609	1.8
135.04431	4.4
135.05444	2.9
135.08072	9.2
135.11697	64.6
135.12723	3.4
136.02164	16.6
136.03906	3.7
136.06184	48.0
136.07257	3.7
140.05006	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03932	5.5
55.01843	1.5
55.05499	5.2
65.03932	2.6
67.05511	2.9
69.07064	2.4
71.07808	3.0
77.03914	1.4
79.05495	19.0
79.46747	1.1
81.07018	1.5
82.85219	1.2
91.05479	40.6
93.07046	46.5
95.04976	3.9
98.59773	1.2
105.07033	23.6
107.04971	2.7
107.08594	100.0
109.06490	5.9
117.07004	3.4
119.06049	3.6
119.08591	17.1
120.09365	5.8
135.04410	2.6
135.08086	8.0
135.11693	43.6
136.02191	2.0
136.06210	3.0
147.09125	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.05850	1.7
53.03939	5.6
55.05516	11.3
56.21868	1.9
57.71313	1.8
65.03967	2.5
67.05510	49.4
69.07078	10.0
69.23805	1.7
70.78571	5.4
75.72939	1.5
79.05497	68.2
81.07062	35.5
85.68864	1.9
91.05495	20.6
91.51428	1.7
93.07050	100.0
95.04971	4.0
105.04516	2.4
105.07021	6.6
107.04949	3.5
107.08604	61.4
108.78529	1.6
117.07027	2.4
119.03488	2.0
125.04779	1.6
135.04446	2.7
135.05547	3.2
135.08099	12.2
135.11700	82.4
136.02220	8.5
136.06190	22.7
136.07315	2.6
136.07504	2.2
136.12045	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03950	5.5
55.01869	1.2
55.05516	10.2
63.60201	1.0
65.03939	2.3
67.05509	52.8
69.03407	1.3
69.07077	9.0
71.42210	0.9
71.54783	1.2
71.55210	1.4
74.50264	1.0
77.03941	1.3
79.05500	66.3
81.03417	1.1
81.07059	30.2
91.05486	24.4
93.07049	100.0
94.07827	1.1
95.04969	5.2
98.61364	0.9
105.04536	1.7
105.07036	6.3
107.04964	4.8
107.08599	62.5
109.06546	1.2
112.00976	1.0
117.07058	1.7
119.03565	2.1
119.06059	1.1
119.08578	2.4
132.52345	0.9
133.10141	2.2
135.04410	3.9
135.05492	2.1
135.06487	1.1
135.08076	13.4
135.09053	1.9
135.11700	79.6
136.02194	11.6
136.03926	1.0
136.06198	29.4
136.07451	1.5
137.04576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03937	7.4
55.01865	3.8
55.05514	11.9
56.96560	3.4
67.05509	21.7
69.03433	3.1
69.07074	5.2
70.53655	4.9
79.05498	64.2
81.07066	22.6
91.05494	31.0
93.07053	100.0
93.07646	5.3
95.04960	6.1
105.04520	3.0
105.07014	8.3
107.04977	9.3
107.08607	76.2
109.06515	2.5
112.01025	2.7
113.75623	2.2
114.16459	2.1
117.07011	3.4
117.62740	2.0
119.03585	2.2
119.08627	2.7
120.82712	2.0
121.01524	3.5
130.37375	2.1
135.04417	7.8
135.05498	4.3
135.06560	4.2
135.08078	15.3
135.11702	78.9
136.02191	21.4
136.06198	39.2
136.07310	3.7
136.07626	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.02481	1.9
53.03945	7.6
54.03399	1.8
54.14099	2.0
55.01866	6.0
55.05521	15.6
56.96559	5.2
57.68355	2.0
65.03946	3.0
65.34965	2.4
67.05505	23.3
69.03424	4.6
69.07055	7.2
70.90189	2.1
71.54302	3.6
79.05499	78.3
81.07051	27.2
89.03915	8.8
91.05487	48.2
93.07048	100.0
94.04108	2.1
95.04966	8.0
97.86542	2.0
105.04512	3.5
105.07046	14.2
107.04951	12.2
107.08604	98.2
108.15748	1.8
111.89500	2.3
112.01012	3.0
115.05483	4.3
117.07004	7.4
119.06045	3.4
119.08576	7.7
121.01562	3.6
124.66804	2.1
135.04420	22.2
135.05479	5.2
135.08072	35.9
135.11696	89.1
136.02170	29.2
136.06194	39.8
136.07597	7.0
144.17685	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03938	5.4
55.01875	13.3
55.05510	3.1
56.96555	3.7
57.03421	2.4
57.89671	1.8
65.03935	10.6
67.05499	8.3
69.01466	2.2
69.03429	14.7
69.39562	14.5
79.05496	74.4
89.03915	5.1
91.05484	100.0
92.06306	2.2
93.07043	37.1
95.04962	7.0
105.04533	2.4
105.07032	36.9
107.04965	8.3
107.08594	79.0
109.06514	11.6
112.01034	2.8
115.05444	22.4
117.03388	2.7
117.07028	27.7
118.06551	1.7
119.03573	2.8
119.06072	11.2
119.08588	5.3
121.01579	4.7
135.04411	13.8
135.05537	4.8
135.08055	71.9
135.11690	13.0
136.02165	15.5
136.06169	23.6
136.07294	2.3
136.07506	2.0
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	o-Cymol
Peak:m/z	Relative Intensity
53.03942	3.4
55.01872	0.9
55.05516	7.9
65.03926	1.5
67.05499	3.2
67.86240	0.8
69.07059	2.2
69.20190	7.4
69.55481	0.7
71.52954	0.8
77.35305	0.7
79.05499	17.2
81.07038	2.4
91.05486	30.0
93.07050	54.7
95.04978	3.4
105.04539	1.4
105.07033	13.8
107.04958	2.3
107.08604	100.0
108.08917	0.9
109.06535	3.5
115.05438	1.4
117.07033	1.4
119.06067	3.5
119.08575	7.5
120.09367	2.9
133.10179	1.5
135.04425	2.2
135.08080	3.7
135.11703	30.0
136.02190	3.3
136.06194	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
52.80190	1.0
53.03940	4.0
55.01876	16.8
55.05505	2.5
55.31329	1.2
56.96538	2.7
57.03432	1.4
65.03944	9.3
67.05516	6.9
69.03429	18.3
69.84148	1.6
69.84540	3.7
77.03925	1.1
79.05496	57.8
80.05067	1.2
81.07064	2.5
91.05483	100.0
92.06284	2.7
93.07046	18.2
95.04990	7.9
95.60313	1.0
103.00492	1.1
103.05458	1.5
105.04523	1.7
105.07033	32.8
107.04939	7.6
107.08599	74.7
109.01163	1.4
109.06522	12.4
112.01031	1.3
115.04697	2.3
115.05462	30.8
115.06281	1.7
117.07023	29.6
119.03465	1.4
119.06068	10.3
119.08659	1.6
120.05730	2.4
120.09388	1.4
121.01566	1.9
135.04451	4.9
135.05536	2.4
135.06480	1.7
135.08063	66.4
135.11688	10.7
136.02153	13.7
136.06189	21.4
136.07480	2.3
136.08463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03954	4.4
54.17732	2.9
55.01883	21.4
56.87740	2.9
65.03929	8.7
67.05495	10.4
69.03429	24.7
70.38029	5.0
70.38404	6.8
73.49359	3.2
79.05068	5.5
79.05499	61.1
81.06995	3.4
91.05490	99.3
93.07054	31.0
95.04961	11.4
105.07042	31.8
107.04934	5.9
107.08598	100.0
109.06520	15.1
114.50483	3.3
115.05470	30.1
117.07044	30.4
119.06044	13.6
119.08547	4.0
135.06497	3.4
135.08061	81.9
135.11700	15.7
136.02171	15.5
136.06206	36.2
136.07312	4.8
136.07498	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	5.8
57.03201	4.8
57.03444	66.3
58.67395	3.9
59.48976	3.7
61.02914	7.6
65.52190	6.0
66.01406	4.8
69.03411	13.5
70.54443	10.6
72.52977	20.0
73.02918	16.3
77.52180	26.0
78.52963	21.0
79.02165	5.8
79.51902	3.6
80.52687	6.7
81.03409	8.6
82.01445	29.9
82.99833	8.7
83.01537	5.3
84.52950	6.0
85.01382	3.8
85.02887	6.9
85.51902	7.3
85.53719	7.8
86.52707	100.0
87.02769	13.6
88.02676	14.3
90.52949	3.7
93.01894	6.8
93.53529	4.6
95.53236	35.9
96.03285	5.9
96.55607	3.4
97.02992	4.3
98.03474	5.4
98.52718	7.4
99.53475	7.3
100.02488	49.6
101.00278	6.6
101.00887	69.8
102.00949	4.8
102.02391	20.7
103.00633	4.6
111.02929	16.2
113.00877	16.3
115.02422	9.8
118.03525	7.3
119.01163	5.6
119.01938	67.9
120.02037	12.7
120.03284	4.6
122.53703	6.4
124.02455	36.3
127.02321	4.3
127.03912	4.8
129.04053	3.7
131.01904	33.6
133.03514	7.4
137.02940	7.1
137.50011	4.8
142.03503	91.0
142.64566	3.9
143.01903	16.1
143.03633	12.4
145.03494	5.3
154.03534	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	134.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43040	0.3
55.05513	0.4
56.96573	2.2
57.03448	2.0
58.06602	4.6
59.07381	5.4
60.08163	3.7
60.17687	0.3
69.03429	0.9
69.82634	1.9
70.02956	0.5
70.06598	0.6
71.05011	1.8
72.08162	1.2
72.52979	0.8
73.02916	1.0
74.02441	6.3
74.06075	1.0
75.01040	1.0
75.04484	2.0
77.00781	0.5
78.37643	0.3
82.01443	1.0
83.00789	0.5
84.01563	2.9
86.52707	2.0
87.02731	0.5
88.02679	0.6
88.04003	3.5
88.05908	0.4
88.07605	0.6
89.00845	0.3
90.09199	0.7
93.02082	0.8
95.53159	0.7
96.01540	0.8
97.02346	1.5
98.06065	0.7
98.97564	0.4
99.53441	0.5
100.02474	1.4
101.00883	1.6
102.02405	0.7
102.09184	100.0
102.91889	0.3
103.09538	1.0
105.02055	0.6
106.02878	1.5
111.02951	1.1
112.99064	0.6
116.07093	0.5
119.01932	2.1
124.02467	1.3
131.00200	1.2
131.01910	1.0
134.05980	0.7
134.11771	44.3
142.03531	2.8
146.78004	0.4
149.01202	1.6
154.03575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	0.8
55.05505	1.4
55.99340	0.4
69.36964	3.3
76.86533	0.4
77.03947	0.4
79.05508	4.4
91.04913	0.8
91.05487	13.9
93.07040	4.4
95.04954	0.7
95.31536	0.4
103.05503	2.1
103.24001	0.5
105.07037	39.4
107.08582	1.0
115.05453	4.0
116.06256	0.6
117.07026	5.2
118.07807	6.0
131.08560	5.6
133.06538	1.2
133.10139	100.0
134.10458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38028	0.4
53.03930	0.7
53.49671	0.4
55.05507	1.5
70.97747	1.0
79.05498	3.4
83.51197	0.4
91.05483	12.6
92.49689	0.5
93.07040	4.1
95.04945	0.5
103.05463	1.9
105.07039	37.6
106.07343	0.7
107.08615	0.7
115.05451	3.9
116.06231	0.6
117.07006	4.7
118.07809	5.0
131.08583	5.2
133.10139	100.0
134.10484	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03927	1.1
55.05507	1.9
56.96569	0.7
67.05508	0.8
68.98244	0.5
71.12305	0.9
79.05496	6.3
91.05487	18.2
93.07047	4.6
93.09949	0.4
94.62309	0.5
95.04956	0.9
100.28563	0.5
103.05474	2.8
105.07037	56.0
106.07398	0.5
107.08599	1.6
115.05466	5.1
116.06228	0.7
117.07022	6.8
118.07835	6.6
129.07033	0.6
131.08578	8.2
133.06552	3.2
133.10138	100.0
134.10493	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05043	0.3
57.05812	0.4
58.06604	0.5
69.07070	19.6
70.82927	0.8
86.09710	100.0
87.10063	0.6
132.10204	1.5
146.00769	0.3
149.52914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0651
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02376	0.4
53.03947	2.8
55.01873	3.5
56.96573	4.5
57.03432	0.3
58.52682	0.4
65.03942	0.5
69.03432	1.8
69.68203	1.4
69.68628	0.9
71.01362	0.6
71.05002	1.0
73.02918	0.9
74.02451	1.2
75.09478	0.3
77.03941	0.9
79.05502	11.6
81.04543	0.6
84.96051	0.4
87.10033	0.8
88.02213	1.0
91.05484	2.9
95.04990	1.7
96.01561	0.9
97.02908	1.8
103.05482	6.8
104.01284	0.5
105.03399	1.0
105.07040	83.8
106.07365	0.8
107.04966	0.6
110.01323	1.3
115.05467	3.9
118.07806	0.5
119.01836	0.4
123.07938	0.8
131.04933	1.8
131.08617	0.5
133.02873	1.7
133.06505	100.0
133.10139	4.1
134.05978	0.4
134.06888	1.0
139.83820	0.4
140.98619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.1072
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
53.37009	0.3
55.05501	0.5
56.05034	1.7
56.96575	2.5
57.03427	0.3
67.05497	1.3
68.05036	2.1
70.06595	15.3
70.60066	0.8
76.20468	0.3
77.00758	0.5
82.06582	30.8
82.50986	0.3
83.06107	0.6
84.08148	4.9
84.92792	0.3
85.07704	0.4
85.08469	0.4
86.06056	1.2
86.52699	0.3
88.01810	0.7
91.05477	1.3
93.07053	6.7
97.02328	3.6
98.97585	1.0
100.02484	0.6
101.00903	0.4
106.02848	3.6
108.53084	0.3
110.09686	42.4
111.10029	0.8
112.11245	0.5
115.03298	0.7
116.98635	0.4
128.10719	100.0
129.11041	1.1
147.79544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0913
Annotation	4-Penten-1-yl acetate
Peak:m/z	Relative Intensity
52.38022	1.6
53.00309	2.2
54.84328	1.4
55.05501	5.4
56.41984	1.6
56.96557	6.0
57.03443	3.6
59.05001	16.6
60.19412	1.4
62.23298	1.4
67.05508	13.8
69.03420	5.0
69.07072	100.0
69.74716	8.2
71.05000	2.3
73.06530	1.9
79.05482	6.5
81.07049	3.2
83.05012	2.2
83.08625	3.0
84.04514	2.5
84.08141	26.6
85.06546	12.3
88.01842	2.3
97.02332	16.4
97.06537	2.8
98.20773	3.3
98.97576	2.9
106.02863	13.9
111.08090	5.8
112.07608	9.8
115.03367	2.7
116.56788	1.5
118.59850	1.9
127.87079	1.7
129.01837	3.7
129.05460	3.1
129.06972	2.2
130.08646	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68608	0.2
56.49495	0.2
56.96562	0.8
58.99875	0.3
70.36523	0.6
70.36899	0.4
70.99842	0.6
82.01445	1.1
82.99841	5.9
83.01507	2.4
84.01208	0.4
100.02470	1.5
101.00884	52.2
101.02555	5.0
102.00977	0.6
102.02265	0.9
111.00477	0.5
118.03541	0.7
119.01923	100.0
120.01982	1.8
120.03291	0.5
121.02386	0.5
124.02459	1.1
124.03963	3.3
124.05888	0.3
133.03459	0.4
137.02957	17.1
138.78844	0.3
142.03493	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	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01868	0.9
55.05514	18.0
56.05033	3.1
56.96566	0.4
57.03436	0.5
57.34486	0.3
58.06601	0.4
65.03923	0.5
67.05489	0.9
68.05013	0.5
69.03438	2.8
69.43465	0.8
69.43884	1.8
70.02944	0.5
70.06595	4.7
71.00515	0.3
71.05001	1.1
76.20338	0.3
79.05498	6.5
79.90907	0.4
80.04999	2.1
81.03416	2.5
81.07059	23.5
82.06592	0.5
83.08157	0.5
83.08622	7.3
84.04489	1.2
84.08138	2.3
86.88218	0.3
88.82179	0.4
91.05499	1.8
93.05288	0.3
93.05783	2.4
94.29877	0.4
96.04496	2.1
97.02876	0.5
97.05276	12.0
98.06064	10.8
98.09700	7.1
99.04447	0.4
108.04487	4.6
108.08125	13.3
109.02884	3.3
109.06519	22.9
111.06827	1.6
121.01674	0.6
126.05519	3.3
126.09160	100.0
127.03923	10.6
127.09485	1.3
129.72180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
56.96572	0.4
57.03446	0.5
58.99889	2.1
69.43180	0.9
69.43584	2.5
70.99859	3.8
72.08172	0.5
74.09708	0.6
77.00915	1.6
77.02995	0.5
78.03462	1.1
78.06332	0.7
79.05500	1.8
80.05014	5.9
81.03422	3.3
81.05348	1.3
82.01454	1.7
82.99841	4.7
83.01492	5.0
84.01192	1.3
89.00896	1.4
89.03455	0.7
92.52676	0.4
95.53200	0.5
96.04515	3.0
96.08114	1.0
97.02357	0.4
97.04800	0.5
98.04015	0.7
100.02494	4.8
101.00886	43.2
101.02554	14.4
102.00990	0.5
102.02236	2.2
103.03178	0.5
106.02889	0.5
107.03258	1.5
107.04986	0.6
110.04774	1.5
115.02431	0.4
118.03533	1.9
119.01925	100.0
119.03643	4.9
120.02055	1.5
120.03271	1.2
121.01638	0.5
124.02497	1.0
124.03958	31.1
124.05886	7.2
124.07590	3.1
124.08649	0.6
125.07119	1.0
125.10757	1.1
133.01613	0.5
133.03471	0.8
137.02963	20.9
137.20183	0.4
139.84424	0.4
142.03508	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43948	0.7
56.96565	1.0
58.99871	2.9
61.79449	0.7
62.47294	0.7
62.93024	0.8
69.33601	3.2
69.34037	2.6
70.99869	7.1
77.00900	1.8
78.03460	1.3
79.05482	1.3
80.05015	5.3
82.01437	4.0
82.53769	0.7
82.99850	6.6
83.01507	11.3
84.01205	2.0
84.08137	0.9
89.00912	1.8
96.04487	3.9
96.08129	0.9
100.02495	6.9
101.00889	56.0
101.02562	26.1
102.00968	0.9
102.02242	3.9
104.35988	0.8
112.03979	1.9
118.03508	1.6
119.01929	100.0
119.03633	7.3
120.01999	1.5
124.02501	1.6
124.03961	39.3
124.05904	4.1
124.07596	1.6
137.02974	15.2
140.03447	1.1
142.03514	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19986	0.7
52.42078	0.8
58.99834	1.1
59.35635	0.7
70.07526	3.7
82.01447	50.2
82.99881	0.8
100.02486	100.0
101.00879	6.7
101.02589	1.4
118.03530	27.8
119.01922	16.6
123.04075	1.1
127.26620	0.8
132.65662	0.9
137.03020	3.7
141.05087	0.9
142.03499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74904	0.8
53.66550	0.9
57.03428	0.9
58.99862	2.1
63.22989	0.8
67.05489	2.0
69.63529	5.8
71.16782	0.9
78.03465	1.6
78.52966	1.1
80.05019	11.2
81.03452	1.0
82.01452	44.3
82.01942	2.1
82.99843	1.0
83.01520	1.2
84.08118	1.2
88.02694	1.3
95.04980	5.2
96.04491	4.0
97.02930	0.9
100.02489	100.0
101.00893	7.6
101.02565	1.9
102.02407	1.1
106.02928	1.9
118.03532	32.0
119.01936	11.0
123.04270	2.8
123.05558	39.9
124.02483	1.0
124.03947	4.7
134.13255	1.0
137.02933	1.4
142.03522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	5.8
54.77955	0.8
55.01872	2.3
55.05516	11.8
56.96574	0.9
57.07075	4.9
65.03941	2.8
67.05510	52.9
68.05025	0.9
69.03423	1.4
69.07056	2.1
69.53842	1.9
69.54267	3.7
77.03923	0.9
78.03448	1.9
79.05499	18.1
80.05022	26.6
80.05806	1.3
80.06285	1.2
81.03407	1.7
81.07061	79.3
82.01450	13.3
82.06583	5.7
82.07344	1.0
90.21119	0.9
91.05486	2.9
93.07050	12.4
94.06592	1.0
95.04972	29.3
95.08613	67.0
96.04493	8.6
96.08108	3.5
98.20784	1.9
100.02487	40.6
104.05783	1.0
105.04523	2.6
105.07043	6.3
106.02930	1.3
106.06639	1.3
106.07362	4.7
107.04963	2.6
108.05753	10.4
108.07071	1.1
108.07686	8.2
112.04014	1.3
118.03529	16.7
119.01923	2.1
121.06501	2.0
121.10179	1.4
123.04449	16.4
123.05557	100.0
123.08067	55.3
123.10007	16.9
123.11708	32.8
124.03959	12.1
124.07603	10.1
124.08415	1.4
140.03418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
50.24871	0.2
55.05510	0.2
58.06601	21.1
58.66943	0.2
59.07384	24.3
60.91402	0.2
65.47190	0.2
71.37981	0.3
72.08156	2.3
75.07439	0.2
88.08628	0.2
100.43356	0.2
118.08659	100.0
119.08987	0.4
132.52554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10638	0.2
54.32134	0.2
55.05499	0.8
56.96569	1.7
57.62001	0.2
58.06603	20.2
59.05004	0.3
59.07384	24.1
61.67451	0.2
68.00277	0.3
69.03428	1.0
70.80876	0.5
70.81220	0.2
71.04998	0.2
72.08159	4.2
77.00782	0.4
82.01430	0.8
84.08160	0.3
87.04440	0.2
88.01782	0.2
93.83732	0.2
94.54276	0.6
97.02340	2.4
97.04498	0.3
98.97595	0.7
100.02477	1.2
103.54797	0.3
106.02872	1.7
106.05051	2.4
106.55155	0.3
107.04893	0.4
112.07623	2.0
115.05572	0.3
118.08659	100.0
119.09001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	3.3
67.05499	5.5
69.03433	26.1
70.46372	2.7
70.67999	6.6
71.02988	5.9
73.04162	2.4
78.52962	4.4
82.01455	26.1
82.99827	7.6
85.01379	2.8
85.38670	2.3
87.53461	4.4
91.05476	6.0
93.53490	4.1
100.02486	39.0
101.00882	49.1
101.02577	10.9
103.02435	3.1
107.05283	3.6
107.53199	5.9
112.07626	2.7
118.03512	11.2
119.01924	100.0
121.46937	2.4
124.46795	2.8
126.04003	3.2
129.03990	3.4
133.03474	4.2
137.02934	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
53.03948	1.0
55.05516	5.6
56.96567	10.4
57.03429	0.9
58.06315	0.9
58.06604	17.0
59.05000	1.5
59.07387	17.6
68.00272	1.7
70.70107	1.1
70.70490	1.4
71.05002	1.4
72.08162	26.1
75.70074	0.8
76.93372	1.9
77.00786	2.1
82.01823	0.9
83.04991	0.6
83.52380	0.7
86.10572	0.7
88.01814	1.8
91.05489	23.8
94.91006	0.6
95.02572	1.4
97.02337	11.8
97.02911	1.3
97.52511	0.8
98.97601	3.6
106.02863	7.8
115.03415	1.5
116.98621	1.0
117.05772	2.5
117.96035	0.7
118.06553	100.0
118.08660	73.2
119.06918	0.8
120.74655	0.7
121.31332	0.6
126.34930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0758
Annotation	trans-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.00306	0.7
53.03952	1.6
55.01878	6.8
55.05516	6.5
56.96568	1.6
57.03193	0.8
57.03445	9.1
59.05005	11.8
67.05508	5.9
69.03429	4.8
69.07072	100.0
69.73733	2.3
70.06594	3.4
70.07401	1.1
71.04988	1.7
72.04530	0.6
73.02918	0.6
73.04039	0.5
73.06561	19.9
73.93840	0.7
74.93819	0.9
76.83108	0.4
79.05499	17.0
87.00838	2.1
87.04470	12.0
94.95229	0.4
95.04980	1.0
97.02897	1.1
97.06538	58.5
98.02414	0.7
115.03934	10.1
115.07578	10.8
115.09484	4.2
131.91791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02379	5.3
53.03715	2.9
53.03950	45.2
54.95055	1.7
55.01867	2.4
55.05495	7.0
58.06601	15.5
59.07381	15.9
71.55138	2.3
72.08154	51.5
74.03908	1.7
74.51846	2.6
77.03936	9.5
81.03399	4.1
83.52371	4.7
87.04472	2.9
91.05479	12.0
92.52855	2.2
95.04968	45.0
99.16008	1.7
100.11250	2.9
105.04514	21.4
116.05763	3.6
117.07061	3.2
118.06549	100.0
118.07278	4.3
118.08653	48.0
118.12316	2.6
119.06909	2.6
119.08590	5.3
126.12632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.01858	2.2
55.05515	4.1
56.96552	1.2
57.03442	13.9
57.07079	26.2
65.03949	5.2
67.01868	3.8
67.05507	57.5
68.05013	1.2
69.03426	2.9
69.07080	1.2
70.02954	9.2
70.06618	1.4
71.04994	20.6
71.53209	0.8
71.94088	1.7
71.95271	1.3
72.93788	4.9
83.04994	1.2
84.02123	0.8
84.08138	0.9
85.02920	1.0
85.06544	18.3
89.00272	1.3
89.50419	0.6
90.00143	3.7
90.94838	1.7
95.01358	3.5
95.02419	1.1
95.04372	1.5
95.04972	28.1
95.05576	1.4
95.08612	3.5
96.00872	3.9
96.08117	0.7
98.00760	0.9
99.00658	2.0
113.00065	7.2
113.02370	100.0
113.03501	16.3
113.06010	27.6
113.07185	1.2
113.07951	2.4
113.09648	1.9
113.10804	1.7
114.05534	1.3
114.09164	2.9
119.95701	1.1
120.96529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04962	0.2
83.08608	0.2
86.02094	0.1
110.20916	0.1
123.54021	0.1
135.01860	0.1
154.46016	0.2
190.16759	0.1
194.17490	0.1
225.56119	0.1
311.25851	0.3
396.12439	0.3
397.13071	0.6
398.13489	0.2
409.13223	0.3
410.13861	0.9
411.14444	2.5
412.15402	1.8
413.16043	1.2
423.14999	0.9
424.11414	0.8
424.15536	1.1
425.16287	5.3
426.17001	3.7
427.17535	1.1
428.18481	0.8
437.12131	0.4
437.16653	0.4
438.12244	1.8
438.17810	0.5
439.13495	7.4
440.19046	3.6
441.19318	19.4
442.19641	1.5
451.13232	0.3
451.18161	0.4
452.14093	2.2
453.15173	8.4
454.15973	2.8
456.13849	0.3
457.14792	0.3
458.15610	0.3
459.19849	0.2
463.14175	0.4
464.14099	0.3
465.15594	0.5
466.16785	0.5
467.17218	15.9
468.17831	8.3
469.18854	7.1
470.20081	0.8
471.16541	0.4
472.17380	0.4
477.15793	0.4
478.16016	0.7
479.17569	0.2
480.15042	0.6
480.17441	0.6
481.14743	10.1
482.15173	2.1
483.16452	0.5
485.18497	0.5
486.19055	0.3
487.19644	0.2
494.17151	0.4
495.16470	11.1
496.17026	15.9
497.17868	2.6
498.18741	0.6
499.19608	0.6
500.20358	0.3
508.18994	0.5
509.18332	1.8
510.19437	0.3
511.17911	0.2
512.20789	0.4
513.18365	0.2
514.22614	1.6
522.17657	0.5
523.19971	1.1
524.16791	0.2
525.17670	0.2
526.18445	0.2
527.23621	1.8
528.18481	0.7
536.19257	0.8
537.19391	1.2
538.18909	0.3
539.19232	0.4
540.19910	0.5
541.20337	0.2
542.21582	0.4
551.19659	0.2
554.19257	0.2
555.22424	18.8
555.66498	0.2
556.22784	1.0
567.18573	0.3
568.19147	0.6
573.23102	0.3
582.20337	0.2
583.21893	54.9
584.22150	4.8
586.20685	0.7
587.24921	0.9
599.21582	0.3
600.21588	0.4
610.20471	0.4
611.21234	1.9
614.23694	1.0
615.24432	3.9
628.21313	0.4
642.12158	0.3
642.23236	13.0
643.23853	100.0
644.24036	5.0
686.39398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
50.84117	0.8
51.71685	0.8
51.81380	0.8
53.03949	1.7
55.05514	34.1
57.07073	1.3
57.37572	0.9
58.06599	2.2
67.05492	2.1
69.07070	100.0
69.52661	6.0
70.06593	1.8
83.04983	2.9
83.06106	1.2
88.08938	0.9
89.79991	0.9
91.72157	0.9
100.87951	0.9
101.83373	0.9
111.04434	15.0
111.05565	4.0
111.06384	3.5
111.09215	6.9
112.11186	1.0
117.29758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0506
Annotation	cytosine
Peak:m/z	Relative Intensity
52.50169	1.1
53.03938	2.2
55.05519	9.4
56.05045	2.1
56.51686	1.2
56.96570	2.7
57.03428	4.7
58.99862	1.7
59.04998	2.7
59.52198	2.3
65.52190	2.5
66.75739	1.0
67.05518	5.4
68.05030	3.5
69.03439	33.2
69.04555	5.4
69.07062	4.3
69.50452	6.9
70.02961	2.2
70.06595	8.7
70.99840	1.3
71.02990	4.8
71.05003	12.4
71.52187	4.0
77.00918	1.9
78.52972	3.7
79.51901	1.8
80.00414	1.0
80.02955	3.3
80.03449	1.2
80.52715	12.5
81.02766	1.2
82.01453	19.9
82.06592	2.4
83.01496	2.1
83.04994	9.9
84.04517	2.9
84.05344	1.3
84.08154	13.7
85.53744	6.7
87.53509	1.9
88.00512	1.1
89.00249	3.5
89.03471	8.5
91.53742	9.9
94.02901	1.4
94.04070	2.6
94.06577	3.5
94.54253	2.0
95.01328	1.3
95.01910	1.8
95.02464	21.1
95.04995	1.9
95.06099	1.9
96.00864	2.1
96.04526	0.9
97.01440	1.4
98.00781	2.3
98.04014	5.6
98.20642	0.9
98.97607	2.1
100.02496	47.3
100.03165	2.2
100.54266	11.4
101.00894	9.8
101.02587	3.3
101.04317	3.1
102.02269	1.7
103.02475	3.2
106.05025	1.2
109.54760	1.7
111.02908	2.5
112.03973	20.0
112.05104	100.0
112.07619	87.5
112.11295	2.2
112.89626	4.4
113.00025	7.5
113.00811	1.8
113.02364	11.9
113.03514	4.6
113.93882	1.0
115.02458	6.8
116.98646	1.3
117.03993	2.8
117.96017	1.4
118.03533	18.6
119.01928	14.6
119.03571	2.0
123.04057	1.6
126.04028	3.6
129.03998	18.7
130.04137	3.1
131.01924	3.2
133.03529	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	111.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01867	1.2
55.05515	32.5
56.61345	0.4
65.03944	2.8
66.63145	0.4
68.66984	0.4
69.93089	2.2
83.04984	24.1
88.00488	1.5
93.03438	0.5
97.01041	0.7
98.61076	0.4
111.04448	100.0
112.04774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03950	2.0
55.01861	1.3
55.05513	33.2
65.03638	0.4
65.03938	2.4
68.49303	0.4
69.83112	1.9
69.87603	0.3
83.04984	25.2
83.27489	0.4
90.54579	0.4
93.03417	0.4
98.20853	0.6
111.04443	100.0
112.04764	0.8
115.96408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48479	4.2
53.03941	12.6
55.05497	19.8
55.05741	4.6
56.96565	5.8
57.03424	14.3
59.04992	14.9
67.05492	5.4
71.05020	22.2
71.52187	41.2
78.52961	10.1
79.51933	4.4
80.02936	13.8
80.52711	64.8
81.03410	18.5
82.01452	54.0
82.06564	8.2
82.99818	6.2
83.04977	26.5
83.06094	8.5
85.53741	11.5
87.04274	6.9
87.53493	9.0
89.03467	28.2
89.53175	5.1
91.53754	22.9
92.74777	4.5
98.03993	17.5
100.02487	100.0
100.54266	44.2
101.00883	44.1
101.02611	4.9
109.02858	5.1
109.54787	12.4
110.06043	26.1
110.07166	10.8
110.09659	7.6
114.11654	4.0
115.02453	10.2
117.03975	7.3
117.64445	3.9
118.03533	39.3
119.01931	57.2
124.02430	6.5
126.04010	6.1
126.09248	4.0
129.04004	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51671	0.4
52.96568	0.3
53.03947	0.8
54.04284	1.1
55.01874	1.6
55.05508	0.9
56.51664	0.3
56.96572	1.0
57.52429	0.7
58.99865	1.1
59.52185	0.8
62.02463	0.3
65.03940	1.1
65.52193	1.7
66.02223	0.4
66.04732	0.3
66.52960	1.6
67.02977	0.3
67.04250	1.2
67.05496	1.0
68.02659	1.5
68.05028	1.4
68.52697	0.5
68.98298	0.4
69.03455	3.6
70.15902	1.1
71.02994	2.6
71.04990	0.5
71.53038	0.5
71.94106	0.4
72.04520	6.7
72.52977	0.6
72.93797	0.4
73.05313	1.4
74.06081	1.4
74.99837	1.3
75.53501	14.0
76.03547	0.8
76.53380	0.4
77.00903	1.0
77.50085	0.9
77.99942	3.1
78.03763	11.3
78.52958	1.9
78.53814	0.5
79.01854	1.2
79.53735	0.4
80.05006	0.9
81.03410	1.2
82.01449	9.0
82.02691	0.8
82.03757	2.3
82.06587	5.6
83.01529	0.7
83.04980	0.8
84.01163	0.3
84.52972	1.7
84.54025	2.8
85.01425	0.4
85.21507	0.3
85.53744	1.1
86.00928	0.3
86.50631	4.8
86.52698	1.0
86.53622	0.5
86.99350	1.5
87.00472	16.8
87.02493	1.4
87.04286	100.0
87.50648	0.4
87.53474	0.8
87.54359	9.5
88.00489	2.6
88.04147	1.2
89.54552	0.9
90.94827	0.4
92.05002	0.9
92.52708	0.8
93.53471	1.5
95.53214	0.8
96.00988	0.7
96.01556	0.5
96.04292	0.6
96.04825	4.9
96.54893	0.4
97.00121	0.5
97.01005	1.5
97.02898	1.7
98.03461	0.9
98.05276	0.4
98.51243	0.6
98.52688	2.3
98.54488	1.2
98.55076	4.3
99.02757	0.3
99.04245	0.3
99.05128	0.6
100.02489	23.1
101.02572	2.1
102.02233	0.9
103.02445	1.1
104.01950	0.5
105.00356	1.7
107.05801	0.4
107.53217	0.7
110.03252	0.7
110.06049	27.7
111.04445	1.2
111.05577	0.5
112.03943	0.4
112.96703	1.2
113.96413	5.2
115.01186	1.5
115.02384	0.5
115.96433	1.2
116.97246	0.4
116.98645	0.3
118.03528	8.4
119.03627	0.7
120.03295	0.4
121.03491	0.6
123.04043	0.7
127.02444	0.6
127.26199	0.3
129.04004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.01872	0.5
51.02377	1.0
53.03950	14.2
55.01877	1.1
55.05514	10.6
56.96569	3.0
65.03951	4.6
66.04711	0.7
67.05508	100.0
69.07072	5.5
71.04329	1.4
72.61060	0.6
77.00799	0.9
79.05498	19.3
80.06277	1.3
81.02937	1.0
81.03423	25.2
81.07062	41.5
86.00723	3.2
86.50632	1.8
87.00483	4.8
91.05491	3.2
94.04197	1.5
94.07821	1.4
95.04980	0.6
98.97596	1.1
104.55783	0.7
106.02849	0.7
107.04982	0.8
107.08618	4.8
109.02895	7.7
109.06524	35.1
109.07692	1.7
109.10162	66.1
110.06062	6.1
111.96855	1.0
113.96398	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03951	6.0
55.05515	8.9
59.72274	0.6
65.03947	3.4
67.05508	100.0
69.07067	5.9
70.43300	0.6
70.79953	1.6
71.64195	0.7
79.05496	8.3
79.24310	0.6
79.54000	0.6
81.03426	11.1
81.07063	33.3
86.00690	1.1
87.00453	3.4
87.66486	0.7
91.05480	1.7
94.07838	1.8
107.08621	3.6
109.02878	4.2
109.06529	5.3
109.07662	1.6
109.10162	71.5
110.06056	3.3
113.96407	0.8
126.15154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.3
55.01881	0.8
55.05518	9.6
58.86022	0.7
65.03937	3.8
67.05511	100.0
69.07072	5.1
70.64684	2.4
75.38071	0.7
76.46730	0.7
79.05505	9.3
81.03423	9.4
81.07063	32.6
86.00693	1.2
87.00480	2.7
91.05492	2.2
94.07845	1.5
96.19894	0.6
107.08601	4.3
109.02889	2.9
109.06553	7.4
109.07673	1.9
109.10165	72.8
110.06044	2.3
110.10502	0.7
113.96387	0.8
125.97756	0.7
129.57631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62399	0.6
51.02378	1.3
53.03951	12.5
55.01880	1.5
55.05514	8.9
56.96568	2.2
57.19754	0.6
65.03947	3.5
67.05510	100.0
68.00283	0.8
69.07055	3.8
71.53774	1.2
71.54135	0.6
77.00166	0.9
77.99958	1.5
79.05498	14.6
80.06274	0.7
81.03426	28.9
81.07063	36.8
82.06609	1.1
86.00703	5.2
86.50623	2.9
87.00470	10.1
91.05486	2.6
94.04188	2.0
94.07822	1.6
97.02340	0.9
98.51228	0.7
98.97577	0.6
107.08620	3.9
109.02883	9.1
109.06523	19.7
109.07630	3.5
109.10163	63.3
110.06055	7.7
111.96906	1.0
113.96391	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	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03948	6.9
55.01875	4.0
55.05506	2.1
56.96561	0.5
57.71637	0.5
65.03955	3.1
66.04726	0.8
67.05509	22.8
69.07054	1.5
69.07426	0.6
69.41183	3.9
70.88950	0.5
74.99822	0.5
77.00212	0.5
79.05495	28.6
81.03426	6.7
81.07059	32.1
86.00706	1.3
87.00475	3.3
91.05487	10.4
94.04176	1.7
103.59290	0.5
109.02879	1.7
109.06522	100.0
109.10159	15.8
110.06051	2.2
110.06816	1.2
111.96873	0.7
113.96407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
75.51842	0.5
81.03427	1.7
82.42893	0.5
83.04984	63.0
84.05346	0.7
85.02911	7.0
85.06544	0.6
87.00834	0.6
87.04491	0.6
97.02899	6.6
99.04476	0.8
101.06021	16.1
109.02895	2.5
111.04445	100.0
112.04790	1.0
119.07047	1.9
127.03927	4.1
129.05482	16.5
144.07449	0.5
145.04964	1.1
147.06535	0.7
156.82941	0.5
165.09134	0.7
167.07074	2.3
183.10165	0.9
185.08083	3.5
201.11244	0.7
203.09215	1.4
211.09653	16.2
227.09111	1.2
229.10713	13.6
237.07712	1.2
240.74265	0.5
241.10643	0.8
245.10194	1.6
245.35234	0.5
247.11784	2.4
259.11728	0.9
263.11127	1.2
285.13245	0.9
303.14417	6.7
311.14752	0.8
313.16345	1.2
329.15976	4.4
331.17435	1.5
347.17023	31.4
348.17474	0.8
355.13693	1.1
373.15112	0.7
384.72208	0.5
539.82690	0.5
573.25085	0.6
591.25885	0.7
910.51434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	1.0
83.04987	67.4
83.48228	0.5
84.05307	1.0
85.02905	7.4
87.00829	0.6
97.02883	6.2
99.04470	0.5
101.06024	18.1
109.02911	2.7
111.04448	100.0
111.49730	0.5
112.04781	0.6
119.07065	1.7
127.03905	2.9
129.04512	1.0
129.05487	17.2
145.05049	0.8
147.06569	0.7
165.09116	0.7
165.92715	0.6
167.07066	2.6
183.10130	0.9
185.08147	3.2
201.11282	1.4
203.09161	0.8
211.09666	14.7
227.09158	1.6
229.10724	13.4
229.12971	1.0
237.07619	1.1
245.10228	1.4
247.11830	2.0
263.11221	1.4
273.09781	0.8
285.13400	1.2
303.14374	7.5
311.14813	1.3
313.16553	1.6
327.26123	0.6
329.15988	2.9
331.17542	2.0
347.17029	31.4
355.13824	0.8
373.14822	0.7
473.20044	0.8
532.30420	0.5
547.24329	0.7
573.25153	0.6
591.26904	1.1
619.89520	0.6
909.90332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04488	0.5
79.05468	0.3
81.03423	2.0
83.04985	63.9
83.97237	0.4
84.05334	0.7
84.67352	0.4
85.02914	7.9
85.06559	0.7
87.00848	0.3
91.05486	0.5
95.04980	0.6
95.77505	0.3
97.02900	5.5
99.04440	0.6
101.06022	15.0
109.02895	1.9
111.04447	100.0
112.04799	0.8
119.07063	2.4
125.05979	0.5
127.03923	3.7
129.05484	15.8
145.04976	0.6
147.06496	0.9
149.07153	0.3
165.09114	0.6
167.07014	2.5
183.10193	0.6
185.08104	3.3
188.75793	0.4
201.11212	1.3
203.09169	1.2
209.08046	0.5
211.09659	14.2
219.06453	0.4
227.09171	0.8
229.10703	12.6
236.84807	0.4
237.02702	0.4
237.07497	0.7
239.32474	0.4
241.10503	0.6
245.10214	1.8
247.11716	2.4
255.08522	0.4
259.11957	0.7
263.11365	0.8
285.13342	0.6
303.14380	8.1
311.14874	1.0
311.25674	0.5
313.16367	1.3
319.72354	0.5
329.15970	3.2
331.17499	1.5
337.12692	0.7
347.17023	26.9
355.13873	1.3
373.14838	0.8
457.20401	0.5
479.25311	0.4
483.74362	0.4
573.25604	0.5
591.26086	0.9
614.21271	0.6
715.26691	1.0
724.65204	0.4
1085.55005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04487	0.3
81.03413	2.0
81.07018	0.4
83.04982	61.9
84.05327	0.6
85.02908	7.7
85.06570	0.5
87.04471	0.5
93.07058	0.4
95.04961	0.7
97.02895	6.1
99.04476	0.8
101.06020	16.0
109.02896	1.9
111.04443	100.0
112.04797	1.0
119.07048	2.3
123.26492	0.4
127.03916	3.8
129.05482	15.7
133.42363	0.3
143.07097	0.8
145.04956	1.1
145.36157	0.3
147.06544	0.9
165.09116	0.8
167.07013	2.2
178.61461	0.3
183.10173	0.8
184.93240	0.4
185.08102	3.4
194.43417	0.3
195.00247	0.4
201.11203	1.0
203.09155	1.5
209.08090	0.5
211.09660	14.2
223.05731	0.3
227.09152	1.3
229.10721	14.4
231.69707	0.3
237.07550	1.2
238.21620	0.4
245.10239	1.6
247.11826	2.4
255.08467	0.4
259.11755	0.5
263.11304	1.6
285.13345	1.0
303.14374	6.9
311.14850	1.3
313.16458	1.2
327.14313	0.6
329.15921	3.6
331.17471	1.4
339.14377	0.5
347.17023	29.9
348.17322	0.4
355.13855	1.1
363.16309	0.4
373.14978	0.5
573.25421	0.6
591.26068	1.1
603.26215	0.4
844.38379	1.8
844.87689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05522	0.6
81.03405	2.1
81.07070	0.6
83.04984	70.4
85.02904	6.7
86.71810	0.6
87.00848	0.6
95.04964	1.0
97.02887	4.8
99.04420	0.6
101.06021	19.1
108.70665	0.5
109.02884	1.7
111.04446	100.0
111.96194	0.6
112.04752	1.1
119.07056	2.6
123.04416	0.6
127.03909	3.6
129.05479	15.7
145.04959	1.0
145.10252	0.7
165.09233	0.6
167.07074	2.0
183.10248	0.7
185.08090	2.8
190.96968	0.6
195.54198	0.6
201.11209	1.4
203.09079	0.7
211.09662	16.0
227.09035	2.6
227.23064	0.5
229.10736	12.1
237.07762	0.7
241.10800	0.7
245.10144	1.4
247.11751	1.8
259.11795	0.6
275.54623	0.6
303.14435	6.8
311.14966	1.7
329.15933	6.5
347.17017	27.2
355.13882	1.1
363.16641	0.5
373.14816	0.7
499.07242	0.7
521.55145	0.8
573.25378	0.7
591.26501	1.0
609.27203	0.6
1108.26563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02381	1.2
53.03952	9.3
53.26665	0.6
59.06935	0.8
60.08171	0.6
60.95861	1.4
69.32289	4.7
70.25401	0.7
77.03921	1.8
79.05498	36.1
81.03418	0.8
87.00833	3.9
95.04980	9.9
98.20789	1.2
103.05479	21.6
105.03408	1.2
105.04545	6.3
105.07037	100.0
105.11102	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03955	0.6
55.01857	1.0
65.03939	10.9
67.05506	2.8
71.45536	0.5
77.03933	0.6
79.05496	13.9
82.23420	0.4
84.01582	0.6
87.81663	0.5
91.05482	100.0
92.06258	2.8
95.04968	1.5
105.07032	33.8
106.04182	2.1
107.04963	3.0
107.08593	57.1
109.05809	0.9
109.06520	14.5
119.06071	10.9
124.05184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	0.3
79.05495	4.2
80.50042	0.3
81.03423	2.5
81.07058	5.7
83.04964	1.8
83.08622	0.5
85.02907	4.2
86.09693	0.4
87.00832	2.2
87.04453	0.3
91.05478	5.1
93.07050	3.0
95.04966	1.6
95.08607	2.2
97.02885	3.6
97.06512	0.4
98.97566	0.3
99.04449	0.9
99.08141	0.3
103.05484	0.5
105.01894	1.7
105.07029	5.8
107.04959	4.1
107.08595	19.9
109.02872	1.8
109.06513	3.6
109.07184	0.4
109.10153	5.3
114.41026	0.3
115.03925	0.7
115.05464	0.9
117.01871	0.3
117.07024	1.7
119.06060	0.6
119.08601	2.6
120.08150	0.3
121.06501	2.0
121.10143	12.5
122.07292	3.8
123.08082	1.1
123.11720	0.6
125.09621	0.4
127.03918	4.8
131.08568	2.3
133.10133	100.0
134.10484	1.0
135.08051	7.4
135.11697	1.7
137.09621	54.4
138.09959	0.4
139.03821	0.3
139.11143	0.3
143.08533	0.7
145.04987	1.1
145.10124	1.0
147.11691	2.8
149.09630	3.1
149.13263	11.9
151.11186	6.4
158.10930	1.3
159.02887	0.8
163.14839	3.1
165.12764	5.4
165.92535	0.3
169.04988	0.3
173.13269	6.7
191.14308	94.6
192.14680	1.3
193.15892	0.8
207.13734	0.6
209.15367	53.6
210.15643	0.9
213.03935	1.2
231.05052	1.5
244.15932	0.3
249.06108	0.5
313.74481	0.3
323.18573	0.3
335.18536	0.5
337.16324	1.1
345.08295	0.4
395.21133	0.3
403.17523	3.4
409.15070	0.6
421.18536	8.1
439.19641	15.1
457.20718	8.7
478.97308	0.3
583.19995	0.3
611.22052	0.4
627.18475	0.4
646.24957	0.6
647.24945	0.5
807.82013	0.3
817.34375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39387	0.2
58.06599	3.1
59.07384	1.3
60.08167	31.9
68.05029	0.5
69.03436	0.3
69.51848	1.3
86.06070	0.8
87.04472	1.2
92.03452	0.2
94.24294	0.2
98.21516	0.2
104.07140	1.6
104.10748	100.0
105.11068	0.2
119.04327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
51.24122	0.2
58.06598	3.2
59.07385	1.0
60.08168	34.4
68.05038	1.3
69.03436	0.6
69.63947	1.2
69.64346	0.5
86.06062	0.9
87.04475	2.3
104.07130	2.2
104.10750	100.0
105.11034	0.3
114.48043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.00302	1.0
53.03953	49.2
55.01880	0.8
55.05516	100.0
57.03454	1.9
59.05012	6.1
61.02937	1.0
67.61776	0.7
69.01919	0.7
70.03589	3.1
71.05000	46.3
71.52214	0.9
73.06568	2.7
80.52724	1.4
82.01449	4.2
83.04990	78.3
84.05310	0.8
90.53761	0.7
91.53787	1.1
95.18089	0.7
98.03972	1.1
98.81478	0.8
100.02491	5.9
100.54217	0.9
101.00918	3.1
101.02618	0.8
101.06026	19.3
103.70554	0.7
118.03548	1.5
119.01916	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	101.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.1
53.00317	1.5
53.03951	48.3
55.01871	1.9
55.05515	100.0
56.96568	6.8
57.03443	2.3
59.05010	4.7
59.06121	1.1
67.51092	1.4
70.01340	0.6
70.40493	1.0
70.40841	1.8
71.04996	46.8
71.52193	0.8
73.06570	2.5
79.01860	1.6
82.01470	2.5
82.74933	0.6
83.04987	77.5
84.05330	0.8
88.02373	1.2
100.02481	3.0
101.00903	2.0
101.06024	18.5
119.01984	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03717	3.4
53.03949	46.3
55.01860	5.6
55.05514	100.0
56.05022	2.0
56.15021	1.9
56.96567	34.5
57.03422	6.2
58.50540	4.7
58.99854	4.3
59.04996	8.8
59.06120	10.5
59.52182	2.1
65.52182	3.1
67.51058	7.9
70.99864	2.0
71.05000	37.0
71.52495	3.0
73.06547	2.7
76.51587	3.7
79.01860	12.5
80.02951	4.2
80.52700	6.9
81.67091	2.2
82.01448	15.0
82.99841	5.9
83.01497	27.1
83.04988	74.9
84.01177	4.8
85.02901	2.5
85.53748	3.3
88.02397	5.2
89.00261	10.4
89.03467	4.9
90.03336	1.9
97.51210	2.0
98.00739	5.5
98.03984	4.5
100.02486	37.8
101.00890	47.8
101.02557	54.0
101.06017	15.9
102.02222	6.5
115.01299	1.9
115.02422	3.9
117.95983	5.5
118.03507	7.8
119.01930	100.0
119.03616	16.8
END